Daily Papers

Chromosome classification is critical for karyotyping in abnormality diagnosis. To expedite the diagnosis, we present a novel method named Varifocal-Net for simultaneous classification of chromosome's type and polarity using deep convolutional networks. The approach consists of one global-scale network (G-Net) and one local-scale network (L-Net). It follows three stages. The first stage is to learn both global and local features. We extract global features and detect finer local regions via the G-Net. By proposing a varifocal mechanism, we zoom into local parts and extract local features via the L-Net. Residual learning and multi-task learning strategies are utilized to promote high-level feature extraction. The detection of discriminative local parts is fulfilled by a localization subnet of the G-Net, whose training process involves both supervised and weakly-supervised learning. The second stage is to build two multi-layer perceptron classifiers that exploit features of both two scales to boost classification performance. The third stage is to introduce a dispatch strategy of assigning each chromosome to a type within each patient case, by utilizing the domain knowledge of karyotyping. Evaluation results from 1909 karyotyping cases showed that the proposed Varifocal-Net achieved the highest accuracy per patient case (%) 99.2 for both type and polarity tasks. It outperformed state-of-the-art methods, demonstrating the effectiveness of our varifocal mechanism, multi-scale feature ensemble, and dispatch strategy. The proposed method has been applied to assist practical karyotype diagnosis.

The convolution layer has been the dominant feature extractor in computer vision for years. However, the spatial aggregation in convolution is basically a pattern matching process that applies fixed filters which are inefficient at modeling visual elements with varying spatial distributions. This paper presents a new image feature extractor, called the local relation layer, that adaptively determines aggregation weights based on the compositional relationship of local pixel pairs. With this relational approach, it can composite visual elements into higher-level entities in a more efficient manner that benefits semantic inference. A network built with local relation layers, called the Local Relation Network (LR-Net), is found to provide greater modeling capacity than its counterpart built with regular convolution on large-scale recognition tasks such as ImageNet classification.

Graph Neural Networks (GNNs) have achieved remarkable performance on graph-based tasks. The key idea for GNNs is to obtain informative representation through aggregating information from local neighborhoods. However, it remains an open question whether the neighborhood information is adequately aggregated for learning representations of nodes with few neighbors. To address this, we propose a simple and efficient data augmentation strategy, local augmentation, to learn the distribution of the node features of the neighbors conditioned on the central node's feature and enhance GNN's expressive power with generated features. Local augmentation is a general framework that can be applied to any GNN model in a plug-and-play manner. It samples feature vectors associated with each node from the learned conditional distribution as additional input for the backbone model at each training iteration. Extensive experiments and analyses show that local augmentation consistently yields performance improvement when applied to various GNN architectures across a diverse set of benchmarks. For example, experiments show that plugging in local augmentation to GCN and GAT improves by an average of 3.4\% and 1.6\% in terms of test accuracy on Cora, Citeseer, and Pubmed. Besides, our experimental results on large graphs (OGB) show that our model consistently improves performance over backbones. Code is available at https://github.com/SongtaoLiu0823/LAGNN.

The Non-Local Network (NLNet) presents a pioneering approach for capturing long-range dependencies, via aggregating query-specific global context to each query position. However, through a rigorous empirical analysis, we have found that the global contexts modeled by non-local network are almost the same for different query positions within an image. In this paper, we take advantage of this finding to create a simplified network based on a query-independent formulation, which maintains the accuracy of NLNet but with significantly less computation. We further observe that this simplified design shares similar structure with Squeeze-Excitation Network (SENet). Hence we unify them into a three-step general framework for global context modeling. Within the general framework, we design a better instantiation, called the global context (GC) block, which is lightweight and can effectively model the global context. The lightweight property allows us to apply it for multiple layers in a backbone network to construct a global context network (GCNet), which generally outperforms both simplified NLNet and SENet on major benchmarks for various recognition tasks. The code and configurations are released at https://github.com/xvjiarui/GCNet.

Deep neural networks are typically trained using global error signals that backpropagate (BP) end-to-end, which is not only biologically implausible but also suffers from the update locking problem and requires huge memory consumption. Local learning, which updates each layer independently with a gradient-isolated auxiliary network, offers a promising alternative to address the above problems. However, existing local learning methods are confronted with a large accuracy gap with the BP counterpart, particularly for large-scale networks. This is due to the weak coupling between local layers and their subsequent network layers, as there is no gradient communication across layers. To tackle this issue, we put forward an augmented local learning method, dubbed AugLocal. AugLocal constructs each hidden layer's auxiliary network by uniformly selecting a small subset of layers from its subsequent network layers to enhance their synergy. We also propose to linearly reduce the depth of auxiliary networks as the hidden layer goes deeper, ensuring sufficient network capacity while reducing the computational cost of auxiliary networks. Our extensive experiments on four image classification datasets (i.e., CIFAR-10, SVHN, STL-10, and ImageNet) demonstrate that AugLocal can effectively scale up to tens of local layers with a comparable accuracy to BP-trained networks while reducing GPU memory usage by around 40%. The proposed AugLocal method, therefore, opens up a myriad of opportunities for training high-performance deep neural networks on resource-constrained platforms.Code is available at https://github.com/ChenxiangMA/AugLocal.

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the quality of GNN representation learning including temporal graph architectures with long term losses, effective cold start solutions via graph densification, ID embeddings and multi-hop neighbor sampling. We explain how we built and sped up by 7x our large-scale training on LinkedIn graphs with adaptive sampling of neighbors, grouping and slicing of training data batches, specialized shared-memory queue and local gradient optimization. We summarize our deployment lessons and learnings gathered from A/B test experiments. The techniques presented in this work have contributed to an approximate relative improvements of 1% of Job application hearing back rate, 2% Ads CTR lift, 0.5% of Feed engaged daily active users, 0.2% session lift and 0.1% weekly active user lift from people recommendation. We believe that this work can provide practical solutions and insights for engineers who are interested in applying Graph neural networks at large scale.

Large-scale models pre-trained on large-scale datasets have profoundly advanced the development of deep learning. However, the state-of-the-art models for medical image segmentation are still small-scale, with their parameters only in the tens of millions. Further scaling them up to higher orders of magnitude is rarely explored. An overarching goal of exploring large-scale models is to train them on large-scale medical segmentation datasets for better transfer capacities. In this work, we design a series of Scalable and Transferable U-Net (STU-Net) models, with parameter sizes ranging from 14 million to 1.4 billion. Notably, the 1.4B STU-Net is the largest medical image segmentation model to date. Our STU-Net is based on nnU-Net framework due to its popularity and impressive performance. We first refine the default convolutional blocks in nnU-Net to make them scalable. Then, we empirically evaluate different scaling combinations of network depth and width, discovering that it is optimal to scale model depth and width together. We train our scalable STU-Net models on a large-scale TotalSegmentator dataset and find that increasing model size brings a stronger performance gain. This observation reveals that a large model is promising in medical image segmentation. Furthermore, we evaluate the transferability of our model on 14 downstream datasets for direct inference and 3 datasets for further fine-tuning, covering various modalities and segmentation targets. We observe good performance of our pre-trained model in both direct inference and fine-tuning. The code and pre-trained models are available at https://github.com/Ziyan-Huang/STU-Net.

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

The Non-Local Network (NLNet) presents a pioneering approach for capturing long-range dependencies within an image, via aggregating query-specific global context to each query position. However, through a rigorous empirical analysis, we have found that the global contexts modeled by the non-local network are almost the same for different query positions. In this paper, we take advantage of this finding to create a simplified network based on a query-independent formulation, which maintains the accuracy of NLNet but with significantly less computation. We further replace the one-layer transformation function of the non-local block by a two-layer bottleneck, which further reduces the parameter number considerably. The resulting network element, called the global context (GC) block, effectively models global context in a lightweight manner, allowing it to be applied at multiple layers of a backbone network to form a global context network (GCNet). Experiments show that GCNet generally outperforms NLNet on major benchmarks for various recognition tasks. The code and network configurations are available at https://github.com/xvjiarui/GCNet.

This paper investigates scaling laws for local SGD in LLM training, a distributed optimization algorithm that facilitates training on loosely connected devices. Through extensive experiments, we show that local SGD achieves competitive results compared to conventional methods, given equivalent model parameters, datasets, and computational resources. Furthermore, we explore the application of local SGD in various practical scenarios, including multi-cluster setups and edge computing environments. Our findings elucidate the necessary conditions for effective multi-cluster LLM training and examine the potential and limitations of leveraging edge computing resources in the LLM training process. This demonstrates its viability as an alternative to single large-cluster training.

When fine-tuning large neural networks, it is common to use multiple nodes and to communicate gradients at each optimization step. By contrast, we investigate completely local fine-tuning, which we refer to as lo-fi. During lo-fi, each node is fine-tuned independently without any communication. Then, the weights are averaged across nodes at the conclusion of fine-tuning. When fine-tuning DeiT-base and DeiT-large on ImageNet, this procedure matches accuracy in-distribution and improves accuracy under distribution shift compared to the baseline, which observes the same amount of data but communicates gradients at each step. We also observe that lo-fi matches the baseline's performance when fine-tuning OPT language models (up to 1.3B parameters) on Common Crawl. By removing the communication requirement, lo-fi reduces resource barriers for fine-tuning large models and enables fine-tuning in settings with prohibitive communication cost.

Recent advances in 1-bit Large Language Models (LLMs), such as BitNet and BitNet b1.58, present a promising approach to enhancing the efficiency of LLMs in terms of speed and energy consumption. These developments also enable local LLM deployment across a broad range of devices. In this work, we introduce bitnet.cpp, a tailored software stack designed to unlock the full potential of 1-bit LLMs. Specifically, we develop a set of kernels to support fast and lossless inference of ternary BitNet b1.58 LLMs on CPUs. Extensive experiments demonstrate that bitnet.cpp achieves significant speedups, ranging from 2.37x to 6.17x on x86 CPUs and from 1.37x to 5.07x on ARM CPUs, across various model sizes. The code is available at https://github.com/microsoft/BitNet.

A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node permutations. Here we show that instead of equivariance, the more general concept of naturality is sufficient for a graph network to be well-defined, opening up a larger class of graph networks. We define global and local natural graph networks, the latter of which are as scalable as conventional message passing graph neural networks while being more flexible. We give one practical instantiation of a natural network on graphs which uses an equivariant message network parameterization, yielding good performance on several benchmarks.

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a new one with a contrastive loss. We use graph attention networks and a richer set of features to further improve its performance.

Many networking tasks now employ deep learning (DL) to solve complex prediction and system optimization problems. However, current design philosophy of DL-based algorithms entails intensive engineering overhead due to the manual design of deep neural networks (DNNs) for different networking tasks. Besides, DNNs tend to achieve poor generalization performance on unseen data distributions/environments. Motivated by the recent success of large language models (LLMs), for the first time, this work studies the LLM adaptation for networking to explore a more sustainable design philosophy. With the massive pre-trained knowledge and powerful inference ability, LLM can serve as the foundation model, and is expected to achieve "one model for all" with even better performance and stronger generalization for various tasks. In this paper, we present NetLLM, the first LLM adaptation framework that efficiently adapts LLMs to solve networking problems. NetLLM addresses many practical challenges in LLM adaptation, from how to process task-specific information with LLMs, to how to improve the efficiency of answer generation and acquiring domain knowledge for networking. Across three networking-related use cases - viewport prediction (VP), adaptive bitrate streaming (ABR) and cluster job scheduling (CJS), we showcase the effectiveness of NetLLM in LLM adaptation for networking. Results show that the adapted LLM surpasses state-of-the-art algorithms by 10.1-36.6% for VP, 14.5-36.6% for ABR, 6.8-41.3% for CJS, and also achieves superior generalization performance.

Vision tasks are characterized by the properties of locality and translation invariance. The superior performance of convolutional neural networks (CNNs) on these tasks is widely attributed to the inductive bias of locality and weight sharing baked into their architecture. Existing attempts to quantify the statistical benefits of these biases in CNNs over locally connected convolutional neural networks (LCNs) and fully connected neural networks (FCNs) fall into one of the following categories: either they disregard the optimizer and only provide uniform convergence upper bounds with no separating lower bounds, or they consider simplistic tasks that do not truly mirror the locality and translation invariance as found in real-world vision tasks. To address these deficiencies, we introduce the Dynamic Signal Distribution (DSD) classification task that models an image as consisting of k patches, each of dimension d, and the label is determined by a d-sparse signal vector that can freely appear in any one of the k patches. On this task, for any orthogonally equivariant algorithm like gradient descent, we prove that CNNs require O(k+d) samples, whereas LCNs require Omega(kd) samples, establishing the statistical advantages of weight sharing in translation invariant tasks. Furthermore, LCNs need O(k(k+d)) samples, compared to Omega(k^2d) samples for FCNs, showcasing the benefits of locality in local tasks. Additionally, we develop information theoretic tools for analyzing randomized algorithms, which may be of interest for statistical research.

We introduce DLSIA (Deep Learning for Scientific Image Analysis), a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) architectures for a wide variety of tasks in image analysis to be used in downstream data processing, or for experiment-in-the-loop computing scenarios. DLSIA features easy-to-use architectures such as autoencoders, tunable U-Nets, and parameter-lean mixed-scale dense networks (MSDNets). Additionally, we introduce sparse mixed-scale networks (SMSNets), generated using random graphs and sparse connections. As experimental data continues to grow in scale and complexity, DLSIA provides accessible CNN construction and abstracts CNN complexities, allowing scientists to tailor their machine learning approaches, accelerate discoveries, foster interdisciplinary collaboration, and advance research in scientific image analysis.

Graph Neural Networks (GNNs) have shown great potential in the field of graph representation learning. Standard GNNs define a local message-passing mechanism which propagates information over the whole graph domain by stacking multiple layers. This paradigm suffers from two major limitations, over-squashing and poor long-range dependencies, that can be solved using global attention but significantly increases the computational cost to quadratic complexity. In this work, we propose an alternative approach to overcome these structural limitations by leveraging the ViT/MLP-Mixer architectures introduced in computer vision. We introduce a new class of GNNs, called Graph ViT/MLP-Mixer, that holds three key properties. First, they capture long-range dependency and mitigate the issue of over-squashing as demonstrated on Long Range Graph Benchmark and TreeNeighbourMatch datasets. Second, they offer better speed and memory efficiency with a complexity linear to the number of nodes and edges, surpassing the related Graph Transformer and expressive GNN models. Third, they show high expressivity in terms of graph isomorphism as they can distinguish at least 3-WL non-isomorphic graphs. We test our architecture on 4 simulated datasets and 7 real-world benchmarks, and show highly competitive results on all of them. The source code is available for reproducibility at: https://github.com/XiaoxinHe/Graph-ViT-MLPMixer.

This paper studies the problem of embedding very large information networks into low-dimensional vector spaces, which is useful in many tasks such as visualization, node classification, and link prediction. Most existing graph embedding methods do not scale for real world information networks which usually contain millions of nodes. In this paper, we propose a novel network embedding method called the "LINE," which is suitable for arbitrary types of information networks: undirected, directed, and/or weighted. The method optimizes a carefully designed objective function that preserves both the local and global network structures. An edge-sampling algorithm is proposed that addresses the limitation of the classical stochastic gradient descent and improves both the effectiveness and the efficiency of the inference. Empirical experiments prove the effectiveness of the LINE on a variety of real-world information networks, including language networks, social networks, and citation networks. The algorithm is very efficient, which is able to learn the embedding of a network with millions of vertices and billions of edges in a few hours on a typical single machine. The source code of the LINE is available online.

One-shot neural architecture search (NAS) substantially improves the search efficiency by training one supernet to estimate the performance of every possible child architecture (i.e., subnet). However, the inconsistency of characteristics among subnets incurs serious interference in the optimization, resulting in poor performance ranking correlation of subnets. Subsequent explorations decompose supernet weights via a particular criterion, e.g., gradient matching, to reduce the interference; yet they suffer from huge computational cost and low space separability. In this work, we propose a lightweight and effective local intrinsic dimension (LID)-based method NAS-LID. NAS-LID evaluates the geometrical properties of architectures by calculating the low-cost LID features layer-by-layer, and the similarity characterized by LID enjoys better separability compared with gradients, which thus effectively reduces the interference among subnets. Extensive experiments on NASBench-201 indicate that NAS-LID achieves superior performance with better efficiency. Specifically, compared to the gradient-driven method, NAS-LID can save up to 86% of GPU memory overhead when searching on NASBench-201. We also demonstrate the effectiveness of NAS-LID on ProxylessNAS and OFA spaces. Source code: https://github.com/marsggbo/NAS-LID.

Random walks are widely used for mining networks due to the computational efficiency of computing them. For instance, graph representation learning learns a d-dimensional embedding space, so that the nodes that tend to co-occur on random walks (a proxy of being in the same network neighborhood) are close in the embedding space. Specific local network topology (i.e., structure) influences the co-occurrence of nodes on random walks, so random walks of limited length capture only partial topological information, hence diminishing the performance of downstream methods. We explicitly capture all topological neighborhood information and improve performance by introducing orbit adjacencies that quantify the adjacencies of two nodes as co-occurring on a given pair of graphlet orbits, which are symmetric positions on graphlets (small, connected, non-isomorphic, induced subgraphs of a large network). Importantly, we mathematically prove that random walks on up to k nodes capture only a subset of all the possible orbit adjacencies for up to k-node graphlets. Furthermore, we enable orbit adjacency-based analysis of networks by developing an efficient GRaphlet-orbit ADjacency COunter (GRADCO), which exhaustively computes all 28 orbit adjacency matrices for up to four-node graphlets. Note that four-node graphlets suffice, because real networks are usually small-world. In large networks on around 20,000 nodes, GRADCOcomputesthe28matricesinminutes. Onsixrealnetworksfromvarious domains, we compare the performance of node-label predictors obtained by using the network embeddings based on our orbit adjacencies to those based on random walks. We find that orbit adjacencies, which include those unseen by random walks, outperform random walk-based adjacencies, demonstrating the importance of the inclusion of the topological neighborhood information that is unseen by random walks.

The abilities of modern large language models (LLMs) in solving natural language processing, complex reasoning, sentiment analysis and other tasks have been extraordinary which has prompted their extensive adoption. Unfortunately, these abilities come with very high memory and computational costs which precludes the use of LLMs on most hardware platforms. To mitigate this, we propose an effective method of finding Pareto-optimal network architectures based on LLaMA2-7B using one-shot NAS. In particular, we fine-tune LLaMA2-7B only once and then apply genetic algorithm-based search to find smaller, less computationally complex network architectures. We show that, for certain standard benchmark tasks, the pre-trained LLaMA2-7B network is unnecessarily large and complex. More specifically, we demonstrate a 1.5x reduction in model size and 1.3x speedup in throughput for certain tasks with negligible drop in accuracy. In addition to finding smaller, higher-performing network architectures, our method does so more effectively and efficiently than certain pruning or sparsification techniques. Finally, we demonstrate how quantization is complementary to our method and that the size and complexity of the networks we find can be further decreased using quantization. We believe that our work provides a way to automatically create LLMs which can be used on less expensive and more readily available hardware platforms.

Deep neural networks conventionally employ end-to-end backpropagation for their training process, which lacks biological credibility and triggers a locking dilemma during network parameter updates, leading to significant GPU memory use. Supervised local learning, which segments the network into multiple local blocks updated by independent auxiliary networks. However, these methods cannot replace end-to-end training due to lower accuracy, as gradients only propagate within their local block, creating a lack of information exchange between blocks. To address this issue and establish information transfer across blocks, we propose a Momentum Auxiliary Network (MAN) that establishes a dynamic interaction mechanism. The MAN leverages an exponential moving average (EMA) of the parameters from adjacent local blocks to enhance information flow. This auxiliary network, updated through EMA, helps bridge the informational gap between blocks. Nevertheless, we observe that directly applying EMA parameters has certain limitations due to feature discrepancies among local blocks. To overcome this, we introduce learnable biases, further boosting performance. We have validated our method on four image classification datasets (CIFAR-10, STL-10, SVHN, ImageNet), attaining superior performance and substantial memory savings. Notably, our method can reduce GPU memory usage by more than 45\% on the ImageNet dataset compared to end-to-end training, while achieving higher performance. The Momentum Auxiliary Network thus offers a new perspective for supervised local learning. Our code is available at: https://github.com/JunhaoSu0/MAN.

Local graph clustering methods aim to detect small clusters in very large graphs without the need to process the whole graph. They are fundamental and scalable tools for a wide range of tasks such as local community detection, node ranking and node embedding. While prior work on local graph clustering mainly focuses on graphs without node attributes, modern real-world graph datasets typically come with node attributes that provide valuable additional information. We present a simple local graph clustering algorithm for graphs with node attributes, based on the idea of diffusing mass locally in the graph while accounting for both structural and attribute proximities. Using high-dimensional concentration results, we provide statistical guarantees on the performance of the algorithm for the recovery of a target cluster with a single seed node. We give conditions under which a target cluster generated from a fairly general contextual random graph model, which includes both the stochastic block model and the planted cluster model as special cases, can be fully recovered with bounded false positives. Empirically, we validate all theoretical claims using synthetic data, and we show that incorporating node attributes leads to superior local clustering performances using real-world graph datasets.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

Recent studies have drawn attention to the untapped potential of the "star operation" (element-wise multiplication) in network design. While intuitive explanations abound, the foundational rationale behind its application remains largely unexplored. Our study attempts to reveal the star operation's ability to map inputs into high-dimensional, non-linear feature spaces -- akin to kernel tricks -- without widening the network. We further introduce StarNet, a simple yet powerful prototype, demonstrating impressive performance and low latency under compact network structure and efficient budget. Like stars in the sky, the star operation appears unremarkable but holds a vast universe of potential. Our work encourages further exploration across tasks, with codes available at https://github.com/ma-xu/Rewrite-the-Stars.

We propose a learning algorithm for local routing policies that needs only a few data samples obtained from a single graph while generalizing to all random graphs in a standard model of wireless networks. We thus solve the all-pairs near-shortest path problem by training deep neural networks (DNNs) that efficiently and scalably learn routing policies that are local, i.e., they only consider node states and the states of neighboring nodes. Remarkably, one of these DNNs we train learns a policy that exactly matches the performance of greedy forwarding; another generally outperforms greedy forwarding. Our algorithm design exploits network domain knowledge in several ways: First, in the selection of input features and, second, in the selection of a ``seed graph'' and subsamples from its shortest paths. The leverage of domain knowledge provides theoretical explainability of why the seed graph and node subsampling suffice for learning that is efficient, scalable, and generalizable. Simulation-based results on uniform random graphs with diverse sizes and densities empirically corroborate that using samples generated from a few routing paths in a modest-sized seed graph quickly learns a model that is generalizable across (almost) all random graphs in the wireless network model.

Recent works have demonstrated the benefits of capturing long-distance dependency in graphs by deeper graph neural networks (GNNs). But deeper GNNs suffer from the long-lasting scalability challenge due to the neighborhood explosion problem in large-scale graphs. In this work, we propose to capture long-distance dependency in graphs by shallower models instead of deeper models, which leads to a much more efficient model, LazyGNN, for graph representation learning. Moreover, we demonstrate that LazyGNN is compatible with existing scalable approaches (such as sampling methods) for further accelerations through the development of mini-batch LazyGNN. Comprehensive experiments demonstrate its superior prediction performance and scalability on large-scale benchmarks. The implementation of LazyGNN is available at https://github.com/RXPHD/Lazy_GNN.

Given a node-attributed graph, and a graph task (link prediction or node classification), can we tell if a graph neural network (GNN) will perform well? More specifically, do the graph structure and the node features carry enough usable information for the task? Our goals are (1) to develop a fast tool to measure how much information is in the graph structure and in the node features, and (2) to exploit the information to solve the task, if there is enough. We propose NetInfoF, a framework including NetInfoF_Probe and NetInfoF_Act, for the measurement and the exploitation of network usable information (NUI), respectively. Given a graph data, NetInfoF_Probe measures NUI without any model training, and NetInfoF_Act solves link prediction and node classification, while two modules share the same backbone. In summary, NetInfoF has following notable advantages: (a) General, handling both link prediction and node classification; (b) Principled, with theoretical guarantee and closed-form solution; (c) Effective, thanks to the proposed adjustment to node similarity; (d) Scalable, scaling linearly with the input size. In our carefully designed synthetic datasets, NetInfoF correctly identifies the ground truth of NUI and is the only method being robust to all graph scenarios. Applied on real-world datasets, NetInfoF wins in 11 out of 12 times on link prediction compared to general GNN baselines.

Few prior works study deep learning on point sets. PointNet by Qi et al. is a pioneer in this direction. However, by design PointNet does not capture local structures induced by the metric space points live in, limiting its ability to recognize fine-grained patterns and generalizability to complex scenes. In this work, we introduce a hierarchical neural network that applies PointNet recursively on a nested partitioning of the input point set. By exploiting metric space distances, our network is able to learn local features with increasing contextual scales. With further observation that point sets are usually sampled with varying densities, which results in greatly decreased performance for networks trained on uniform densities, we propose novel set learning layers to adaptively combine features from multiple scales. Experiments show that our network called PointNet++ is able to learn deep point set features efficiently and robustly. In particular, results significantly better than state-of-the-art have been obtained on challenging benchmarks of 3D point clouds.

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to the lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules, number of labels, and the diversity in the pretraining datasets, resulting in a 30.25% improvement when scaling to 1 billion parameters and 28.98% improvement when increasing size of dataset to eightfold. We further demonstrate strong finetuning scaling behavior on 38 tasks, outclassing previous large models. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.

Efforts to overcome catastrophic forgetting have primarily centered around developing more effective Continual Learning (CL) methods. In contrast, less attention was devoted to analyzing the role of network architecture design (e.g., network depth, width, and components) in contributing to CL. This paper seeks to bridge this gap between network architecture design and CL, and to present a holistic study on the impact of network architectures on CL. This work considers architecture design at the network scaling level, i.e., width and depth, and also at the network components, i.e., skip connections, global pooling layers, and down-sampling. In both cases, we first derive insights through systematically exploring how architectural designs affect CL. Then, grounded in these insights, we craft a specialized search space for CL and further propose a simple yet effective ArchCraft method to steer a CL-friendly architecture, namely, this method recrafts AlexNet/ResNet into AlexAC/ResAC. Experimental validation across various CL settings and scenarios demonstrates that improved architectures are parameter-efficient, achieving state-of-the-art performance of CL while being 86%, 61%, and 97% more compact in terms of parameters than the naive CL architecture in Task IL and Class IL. Code is available at https://github.com/byyx666/ArchCraft.

Network pruning reduces the computation costs of an over-parameterized network without performance damage. Prevailing pruning algorithms pre-define the width and depth of the pruned networks, and then transfer parameters from the unpruned network to pruned networks. To break the structure limitation of the pruned networks, we propose to apply neural architecture search to search directly for a network with flexible channel and layer sizes. The number of the channels/layers is learned by minimizing the loss of the pruned networks. The feature map of the pruned network is an aggregation of K feature map fragments (generated by K networks of different sizes), which are sampled based on the probability distribution.The loss can be back-propagated not only to the network weights, but also to the parameterized distribution to explicitly tune the size of the channels/layers. Specifically, we apply channel-wise interpolation to keep the feature map with different channel sizes aligned in the aggregation procedure. The maximum probability for the size in each distribution serves as the width and depth of the pruned network, whose parameters are learned by knowledge transfer, e.g., knowledge distillation, from the original networks. Experiments on CIFAR-10, CIFAR-100 and ImageNet demonstrate the effectiveness of our new perspective of network pruning compared to traditional network pruning algorithms. Various searching and knowledge transfer approaches are conducted to show the effectiveness of the two components. Code is at: https://github.com/D-X-Y/NAS-Projects.

Temporal networks have been widely used to model real-world complex systems such as financial systems and e-commerce systems. In a temporal network, the joint neighborhood of a set of nodes often provides crucial structural information useful for predicting whether they may interact at a certain time. However, recent representation learning methods for temporal networks often fail to extract such information or depend on online construction of structural features, which is time-consuming. To address the issue, this work proposes Neighborhood-Aware Temporal network model (NAT). For each node in the network, NAT abandons the commonly-used one-single-vector-based representation while adopting a novel dictionary-type neighborhood representation. Such a dictionary representation records a downsampled set of the neighboring nodes as keys, and allows fast construction of structural features for a joint neighborhood of multiple nodes. We also design a dedicated data structure termed N-cache to support parallel access and update of those dictionary representations on GPUs. NAT gets evaluated over seven real-world large-scale temporal networks. NAT not only outperforms all cutting-edge baselines by averaged 1.2% and 4.2% in transductive and inductive link prediction accuracy, respectively, but also keeps scalable by achieving a speed-up of 4.1-76.7x against the baselines that adopt joint structural features and achieves a speed-up of 1.6-4.0x against the baselines that cannot adopt those features. The link to the code: https: //github.com/Graph-COM/Neighborhood-Aware-Temporal-Network.

Designing architectures for deep neural networks requires expert knowledge and substantial computation time. We propose a technique to accelerate architecture selection by learning an auxiliary HyperNet that generates the weights of a main model conditioned on that model's architecture. By comparing the relative validation performance of networks with HyperNet-generated weights, we can effectively search over a wide range of architectures at the cost of a single training run. To facilitate this search, we develop a flexible mechanism based on memory read-writes that allows us to define a wide range of network connectivity patterns, with ResNet, DenseNet, and FractalNet blocks as special cases. We validate our method (SMASH) on CIFAR-10 and CIFAR-100, STL-10, ModelNet10, and Imagenet32x32, achieving competitive performance with similarly-sized hand-designed networks. Our code is available at https://github.com/ajbrock/SMASH

The rapid development of machine learning and deep learning has introduced increasingly complex optimization challenges that must be addressed. Indeed, training modern, advanced models has become difficult to implement without leveraging multiple computing nodes in a distributed environment. Distributed optimization is also fundamental to emerging fields such as federated learning. Specifically, there is a need to organize the training process to minimize the time lost due to communication. A widely used and extensively researched technique to mitigate the communication bottleneck involves performing local training before communication. This approach is the focus of our paper. Concurrently, adaptive methods that incorporate scaling, notably led by Adam, have gained significant popularity in recent years. Therefore, this paper aims to merge the local training technique with the adaptive approach to develop efficient distributed learning methods. We consider the classical Local SGD method and enhance it with a scaling feature. A crucial aspect is that the scaling is described generically, allowing us to analyze various approaches, including Adam, RMSProp, and OASIS, in a unified manner. In addition to theoretical analysis, we validate the performance of our methods in practice by training a neural network.

This paper challenges the well-established paradigm for building any-to-any networks for training Large Language Models (LLMs). We show that LLMs exhibit a unique communication pattern where only small groups of GPUs require high-bandwidth any-to-any communication within them, to achieve near-optimal training performance. Across these groups of GPUs, the communication is insignificant, sparse, and homogeneous. We propose a new network architecture that closely resembles the communication requirement of LLMs. Our architecture partitions the cluster into sets of GPUs interconnected with non-blocking any-to-any high-bandwidth interconnects that we call HB domains. Across the HB domains, the network only connects GPUs with communication demands. We call this network a "rail-only" connection, and show that our proposed architecture reduces the network cost by up to 75% compared to the state-of-the-art any-to-any Clos networks without compromising the performance of LLM training.

Large language models (LLMs) have surged in popularity and are extensively used in commercial applications, where the efficiency of model serving is crucial for the user experience. Most current research focuses on optimizing individual sub-procedures, e.g. local inference and communication, however, there is no comprehensive framework that provides a holistic system view for optimizing LLM serving in an end-to-end manner. In this work, we conduct a detailed analysis to identify major bottlenecks that impact end-to-end latency in LLM serving systems. Our analysis reveals that a comprehensive LLM serving endpoint must address a series of efficiency bottlenecks that extend beyond LLM inference. We then propose ScaleLLM, an optimized system for resource-efficient LLM serving. Our extensive experiments reveal that with 64 concurrent requests, ScaleLLM achieves a 4.3x speed up over vLLM and outperforms state-of-the-arts with 1.5x higher throughput.

Analyzing network topologies and communication graphs plays a crucial role in contemporary network management. However, the absence of a cohesive approach leads to a challenging learning curve, heightened errors, and inefficiencies. In this paper, we introduce a novel approach to facilitate a natural-language-based network management experience, utilizing large language models (LLMs) to generate task-specific code from natural language queries. This method tackles the challenges of explainability, scalability, and privacy by allowing network operators to inspect the generated code, eliminating the need to share network data with LLMs, and concentrating on application-specific requests combined with general program synthesis techniques. We design and evaluate a prototype system using benchmark applications, showcasing high accuracy, cost-effectiveness, and the potential for further enhancements using complementary program synthesis techniques.

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in graphs such as large conjugated molecules, and social networks due to oversmoothing and oversquashing. Although Spectral GNNs and traditional neural networks such as recurrent neural networks and transformers mitigate these challenges, they often lack generalizability, or fail to capture detailed structural relationships or symmetries in the data. To address these concerns, we introduce Matrix Function Neural Networks (MFNs), a novel architecture that parameterizes non-local interactions through analytic matrix equivariant functions. Employing resolvent expansions offers a straightforward implementation and the potential for linear scaling with system size. The MFN architecture achieves stateof-the-art performance in standard graph benchmarks, such as the ZINC and TU datasets, and is able to capture intricate non-local interactions in quantum systems, paving the way to new state-of-the-art force fields.

Subgraphs of a larger global graph may be distributed across multiple devices, and only locally accessible due to privacy restrictions, although there may be links between subgraphs. Recently proposed subgraph Federated Learning (FL) methods deal with those missing links across local subgraphs while distributively training Graph Neural Networks (GNNs) on them. However, they have overlooked the inevitable heterogeneity between subgraphs comprising different communities of a global graph, consequently collapsing the incompatible knowledge from local GNN models. To this end, we introduce a new subgraph FL problem, personalized subgraph FL, which focuses on the joint improvement of the interrelated local GNNs rather than learning a single global model, and propose a novel framework, FEDerated Personalized sUBgraph learning (FED-PUB), to tackle it. Since the server cannot access the subgraph in each client, FED-PUB utilizes functional embeddings of the local GNNs using random graphs as inputs to compute similarities between them, and use the similarities to perform weighted averaging for server-side aggregation. Further, it learns a personalized sparse mask at each client to select and update only the subgraph-relevant subset of the aggregated parameters. We validate our FED-PUB for its subgraph FL performance on six datasets, considering both non-overlapping and overlapping subgraphs, on which it significantly outperforms relevant baselines. Our code is available at https://github.com/JinheonBaek/FED-PUB.

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle to consistently produce samples with high rewards due to over-exploration on wide sample space. This paper proposes to train GFlowNets with local search, which focuses on exploiting high-rewarded sample space to resolve this issue. Our main idea is to explore the local neighborhood via backtracking and reconstruction guided by backward and forward policies, respectively. This allows biasing the samples toward high-reward solutions, which is not possible for a typical GFlowNet solution generation scheme, which uses the forward policy to generate the solution from scratch. Extensive experiments demonstrate a remarkable performance improvement in several biochemical tasks. Source code is available: https://github.com/dbsxodud-11/ls_gfn.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond just a few layers, two fundamental challenges emerge: 1. degraded expressivity due to oversmoothing, and 2. expensive computation due to neighborhood explosion. We propose a design principle to decouple the depth and scope of GNNs -- to generate representation of a target entity (i.e., a node or an edge), we first extract a localized subgraph as the bounded-size scope, and then apply a GNN of arbitrary depth on top of the subgraph. A properly extracted subgraph consists of a small number of critical neighbors, while excluding irrelevant ones. The GNN, no matter how deep it is, smooths the local neighborhood into informative representation rather than oversmoothing the global graph into "white noise". Theoretically, decoupling improves the GNN expressive power from the perspectives of graph signal processing (GCN), function approximation (GraphSAGE) and topological learning (GIN). Empirically, on seven graphs (with up to 110M nodes) and six backbone GNN architectures, our design achieves significant accuracy improvement with orders of magnitude reduction in computation and hardware cost.

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the computational feasibility of the global attention mechanism is possible. The next goal is to scale up these architectures to handle very large graphs on the scale of millions or even billions of nodes. With large-scale graphs, global attention learning is proven impractical due to its quadratic complexity w.r.t. the number of nodes. On the other hand, neighborhood sampling techniques become essential to manage large graph sizes, yet finding the optimal trade-off between speed and accuracy with sampling techniques remains challenging. This work advances representation learning on single large-scale graphs with a focus on identifying model characteristics and critical design constraints for developing scalable graph transformer (GT) architectures. We argue such GT requires layers that can adeptly learn both local and global graph representations while swiftly sampling the graph topology. As such, a key innovation of this work lies in the creation of a fast neighborhood sampling technique coupled with a local attention mechanism that encompasses a 4-hop reception field, but achieved through just 2-hop operations. This local node embedding is then integrated with a global node embedding, acquired via another self-attention layer with an approximate global codebook, before finally sent through a downstream layer for node predictions. The proposed GT framework, named LargeGT, overcomes previous computational bottlenecks and is validated on three large-scale node classification benchmarks. We report a 3x speedup and 16.8% performance gain on ogbn-products and snap-patents, while we also scale LargeGT on ogbn-papers100M with a 5.9% performance improvement.

We propose a lightweight CPU network based on the MKLDNN acceleration strategy, named PP-LCNet, which improves the performance of lightweight models on multiple tasks. This paper lists technologies which can improve network accuracy while the latency is almost constant. With these improvements, the accuracy of PP-LCNet can greatly surpass the previous network structure with the same inference time for classification. As shown in Figure 1, it outperforms the most state-of-the-art models. And for downstream tasks of computer vision, it also performs very well, such as object detection, semantic segmentation, etc. All our experiments are implemented based on PaddlePaddle. Code and pretrained models are available at PaddleClas.

In an era of information explosion, recommender systems are vital tools to deliver personalized recommendations for users. The key of recommender systems is to forecast users' future behaviors based on previous user-item interactions. Due to their strong expressive power of capturing high-order connectivities in user-item interaction data, recent years have witnessed a rising interest in leveraging Graph Neural Networks (GNNs) to boost the prediction performance of recommender systems. Nonetheless, classic Matrix Factorization (MF) and Deep Neural Network (DNN) approaches still play an important role in real-world large-scale recommender systems due to their scalability advantages. Despite the existence of GNN-acceleration solutions, it remains an open question whether GNN-based recommender systems can scale as efficiently as classic MF and DNN methods. In this paper, we propose a Linear-Time Graph Neural Network (LTGNN) to scale up GNN-based recommender systems to achieve comparable scalability as classic MF approaches while maintaining GNNs' powerful expressiveness for superior prediction accuracy. Extensive experiments and ablation studies are presented to validate the effectiveness and scalability of the proposed algorithm. Our implementation based on PyTorch is available.

A prominent paradigm for graph neural networks is based on the message-passing framework. In this framework, information communication is realized only between neighboring nodes. The challenge of approaches that use this paradigm is to ensure efficient and accurate long-distance communication between nodes, as deep convolutional networks are prone to oversmoothing. In this paper, we present a novel method based on time derivative graph diffusion (TIDE) to overcome these structural limitations of the message-passing framework. Our approach allows for optimizing the spatial extent of diffusion across various tasks and network channels, thus enabling medium and long-distance communication efficiently. Furthermore, we show that our architecture design also enables local message-passing and thus inherits from the capabilities of local message-passing approaches. We show that on both widely used graph benchmarks and synthetic mesh and graph datasets, the proposed framework outperforms state-of-the-art methods by a significant margin

Recently, Stitchable Neural Networks (SN-Net) is proposed to stitch some pre-trained networks for quickly building numerous networks with different complexity and performance trade-offs. In this way, the burdens of designing or training the variable-sized networks, which can be used in application scenarios with diverse resource constraints, are alleviated. However, SN-Net still faces a few challenges. 1) Stitching from multiple independently pre-trained anchors introduces high storage resource consumption. 2) SN-Net faces challenges to build smaller models for low resource constraints. 3). SN-Net uses an unlearned initialization method for stitch layers, limiting the final performance. To overcome these challenges, motivated by the recently proposed Learngene framework, we propose a novel method called Learngene Pool. Briefly, Learngene distills the critical knowledge from a large pre-trained model into a small part (termed as learngene) and then expands this small part into a few variable-sized models. In our proposed method, we distill one pretrained large model into multiple small models whose network blocks are used as learngene instances to construct the learngene pool. Since only one large model is used, we do not need to store more large models as SN-Net and after distilling, smaller learngene instances can be created to build small models to satisfy low resource constraints. We also insert learnable transformation matrices between the instances to stitch them into variable-sized models to improve the performance of these models. Exhaustive experiments have been implemented and the results validate the effectiveness of the proposed Learngene Pool compared with SN-Net.

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges, which exceeds the capability of existing embedding systems. We present PyTorch-BigGraph (PBG), an embedding system that incorporates several modifications to traditional multi-relation embedding systems that allow it to scale to graphs with billions of nodes and trillions of edges. PBG uses graph partitioning to train arbitrarily large embeddings on either a single machine or in a distributed environment. We demonstrate comparable performance with existing embedding systems on common benchmarks, while allowing for scaling to arbitrarily large graphs and parallelization on multiple machines. We train and evaluate embeddings on several large social network graphs as well as the full Freebase dataset, which contains over 100 million nodes and 2 billion edges.

Due to high utility in many applications, from social networks to blockchain to power grids, deep learning on non-Euclidean objects such as graphs and manifolds, coined Geometric Deep Learning (GDL), continues to gain an ever increasing interest. We propose a new L\'evy Flights Graph Convolutional Networks (LFGCN) method for semi-supervised learning, which casts the L\'evy Flights into random walks on graphs and, as a result, allows both to accurately account for the intrinsic graph topology and to substantially improve classification performance, especially for heterogeneous graphs. Furthermore, we propose a new preferential P-DropEdge method based on the Girvan-Newman argument. That is, in contrast to uniform removing of edges as in DropEdge, following the Girvan-Newman algorithm, we detect network periphery structures using information on edge betweenness and then remove edges according to their betweenness centrality. Our experimental results on semi-supervised node classification tasks demonstrate that the LFGCN coupled with P-DropEdge accelerates the training task, increases stability and further improves predictive accuracy of learned graph topology structure. Finally, in our case studies we bring the machinery of LFGCN and other deep networks tools to analysis of power grid networks - the area where the utility of GDL remains untapped.

We present a simple, highly modularized network architecture for image classification. Our network is constructed by repeating a building block that aggregates a set of transformations with the same topology. Our simple design results in a homogeneous, multi-branch architecture that has only a few hyper-parameters to set. This strategy exposes a new dimension, which we call "cardinality" (the size of the set of transformations), as an essential factor in addition to the dimensions of depth and width. On the ImageNet-1K dataset, we empirically show that even under the restricted condition of maintaining complexity, increasing cardinality is able to improve classification accuracy. Moreover, increasing cardinality is more effective than going deeper or wider when we increase the capacity. Our models, named ResNeXt, are the foundations of our entry to the ILSVRC 2016 classification task in which we secured 2nd place. We further investigate ResNeXt on an ImageNet-5K set and the COCO detection set, also showing better results than its ResNet counterpart. The code and models are publicly available online.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

This paper studies the online node classification problem under a transductive learning setting. Current methods either invert a graph kernel matrix with O(n^3) runtime and O(n^2) space complexity or sample a large volume of random spanning trees, thus are difficult to scale to large graphs. In this work, we propose an improvement based on the online relaxation technique introduced by a series of works (Rakhlin et al.,2012; Rakhlin and Sridharan, 2015; 2017). We first prove an effective regret O(n^{1+gamma}) when suitable parameterized graph kernels are chosen, then propose an approximate algorithm FastONL enjoying O(kn^{1+gamma}) regret based on this relaxation. The key of FastONL is a generalized local push method that effectively approximates inverse matrix columns and applies to a series of popular kernels. Furthermore, the per-prediction cost is O(vol({S})log 1/epsilon) locally dependent on the graph with linear memory cost. Experiments show that our scalable method enjoys a better tradeoff between local and global consistency.

In this work, we present a new network design paradigm. Our goal is to help advance the understanding of network design and discover design principles that generalize across settings. Instead of focusing on designing individual network instances, we design network design spaces that parametrize populations of networks. The overall process is analogous to classic manual design of networks, but elevated to the design space level. Using our methodology we explore the structure aspect of network design and arrive at a low-dimensional design space consisting of simple, regular networks that we call RegNet. The core insight of the RegNet parametrization is surprisingly simple: widths and depths of good networks can be explained by a quantized linear function. We analyze the RegNet design space and arrive at interesting findings that do not match the current practice of network design. The RegNet design space provides simple and fast networks that work well across a wide range of flop regimes. Under comparable training settings and flops, the RegNet models outperform the popular EfficientNet models while being up to 5x faster on GPUs.

Large language models (LLMs) can respond to human language queries and have shown powerful potential applications in network operations (NetOps). Thanks to the large amount of commonsense knowledge inherent, LLMs achieve much better inference accuracy than traditional models and emerge with strong abilities in generalization, reasoning, and code generation. These abilities may have a crucial boost to automated and intelligent NetOps. However, it remains under-explored how well LLMs perform in various NetOps tasks. In this work, we make a systematic assessment of the capabilities, strengths, and limitations of selected LLMs in the field of NetOps. The evaluation is conducted on a collection of 5,732 questions about NetOps, encompassing 26 publicly available general-domain LLMs, including ChatGPT, LLaMA, Falcon, etc. We also finetune some of these LLMs with our collected NetOps corpus and evaluate the resulting models. The evaluation method follows the widely adopted benchmarks for general-domain LLMs, combined with Chain-of-Thought Prompts and Retrieval-Augmented Generation. The results show that only GPT-4 achieves high accuracy equivalent to passing the NetOps certification exam for humans, while all the other LLMs have much lower accuracy. However, some open models like LLaMA 2 still demonstrate significant potential. Furthermore, we evaluate the impact of factors such as model parameters, prompt engineering, instruction fine-tuning etc. This work shall be treated as the initial effort to systematic evaluation of LLMs in NetOps, and a more rigorous study is required for production use. The evaluation code and dataset will be released to benefit future research.

We propose a novel deep network structure called "Network In Network" (NIN) to enhance model discriminability for local patches within the receptive field. The conventional convolutional layer uses linear filters followed by a nonlinear activation function to scan the input. Instead, we build micro neural networks with more complex structures to abstract the data within the receptive field. We instantiate the micro neural network with a multilayer perceptron, which is a potent function approximator. The feature maps are obtained by sliding the micro networks over the input in a similar manner as CNN; they are then fed into the next layer. Deep NIN can be implemented by stacking mutiple of the above described structure. With enhanced local modeling via the micro network, we are able to utilize global average pooling over feature maps in the classification layer, which is easier to interpret and less prone to overfitting than traditional fully connected layers. We demonstrated the state-of-the-art classification performances with NIN on CIFAR-10 and CIFAR-100, and reasonable performances on SVHN and MNIST datasets.

Message passing neural networks (MPNNs) have been shown to suffer from the phenomenon of over-squashing that causes poor performance for tasks relying on long-range interactions. This can be largely attributed to message passing only occurring locally, over a node's immediate neighbours. Rewiring approaches attempting to make graphs 'more connected', and supposedly better suited to long-range tasks, often lose the inductive bias provided by distance on the graph since they make distant nodes communicate instantly at every layer. In this paper we propose a framework, applicable to any MPNN architecture, that performs a layer-dependent rewiring to ensure gradual densification of the graph. We also propose a delay mechanism that permits skip connections between nodes depending on the layer and their mutual distance. We validate our approach on several long-range tasks and show that it outperforms graph Transformers and multi-hop MPNNs.

Training neural networks involves solving large-scale non-convex optimization problems. This task has long been believed to be extremely difficult, with fear of local minima and other obstacles motivating a variety of schemes to improve optimization, such as unsupervised pretraining. However, modern neural networks are able to achieve negligible training error on complex tasks, using only direct training with stochastic gradient descent. We introduce a simple analysis technique to look for evidence that such networks are overcoming local optima. We find that, in fact, on a straight path from initialization to solution, a variety of state of the art neural networks never encounter any significant obstacles.

State-of-the-art LLMs are powered by scaling -- scaling model size, dataset size and cluster size. It is economically infeasible to extensively tune hyperparameter for the largest runs. Instead, approximately optimal hyperparameters must be inferred or transferred from smaller experiments. Hyperparameter transfer across model sizes has been studied in Yang et al. However, hyperparameter transfer across dataset size -- or token horizon -- has not been studied yet. To remedy this we conduct a large scale empirical study on how optimal learning rate (LR) depends on token horizon in LLM training. We first demonstrate that the optimal LR changes significantly with token horizon -- longer training necessitates smaller LR. Secondly we demonstrate the the optimal LR follows a scaling law, and that the optimal LR for longer horizons can be accurately estimated from shorter horizons via such scaling laws. We also provide a rule-of-thumb for transferring LR across token horizons with zero overhead over current practices. Lastly we provide evidence that LLama-1 used too high LR, and estimate the performance hit from this. We thus argue that hyperparameter transfer across data size is an important and overlooked component of LLM training.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

Convolutional networks are at the core of most state-of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to become mainstream, yielding substantial gains in various benchmarks. Although increased model size and computational cost tend to translate to immediate quality gains for most tasks (as long as enough labeled data is provided for training), computational efficiency and low parameter count are still enabling factors for various use cases such as mobile vision and big-data scenarios. Here we explore ways to scale up networks in ways that aim at utilizing the added computation as efficiently as possible by suitably factorized convolutions and aggressive regularization. We benchmark our methods on the ILSVRC 2012 classification challenge validation set demonstrate substantial gains over the state of the art: 21.2% top-1 and 5.6% top-5 error for single frame evaluation using a network with a computational cost of 5 billion multiply-adds per inference and with using less than 25 million parameters. With an ensemble of 4 models and multi-crop evaluation, we report 3.5% top-5 error on the validation set (3.6% error on the test set) and 17.3% top-1 error on the validation set.

We revisit the one-shot Neural Architecture Search (NAS) paradigm and analyze its advantages over existing NAS approaches. Existing one-shot method, however, is hard to train and not yet effective on large scale datasets like ImageNet. This work propose a Single Path One-Shot model to address the challenge in the training. Our central idea is to construct a simplified supernet, where all architectures are single paths so that weight co-adaption problem is alleviated. Training is performed by uniform path sampling. All architectures (and their weights) are trained fully and equally. Comprehensive experiments verify that our approach is flexible and effective. It is easy to train and fast to search. It effortlessly supports complex search spaces (e.g., building blocks, channel, mixed-precision quantization) and different search constraints (e.g., FLOPs, latency). It is thus convenient to use for various needs. It achieves start-of-the-art performance on the large dataset ImageNet.

On a variety of tasks, the performance of neural networks predictably improves with training time, dataset size and model size across many orders of magnitude. This phenomenon is known as a neural scaling law. Of fundamental importance is the compute-optimal scaling law, which reports the performance as a function of units of compute when choosing model sizes optimally. We analyze a random feature model trained with gradient descent as a solvable model of network training and generalization. This reproduces many observations about neural scaling laws. First, our model makes a prediction about why the scaling of performance with training time and with model size have different power law exponents. Consequently, the theory predicts an asymmetric compute-optimal scaling rule where the number of training steps are increased faster than model parameters, consistent with recent empirical observations. Second, it has been observed that early in training, networks converge to their infinite-width dynamics at a rate 1/width but at late time exhibit a rate width^{-c}, where c depends on the structure of the architecture and task. We show that our model exhibits this behavior. Lastly, our theory shows how the gap between training and test loss can gradually build up over time due to repeated reuse of data.

Network pruning techniques, including weight pruning and filter pruning, reveal that most state-of-the-art neural networks can be accelerated without a significant performance drop. This work focuses on filter pruning which enables accelerated inference with any off-the-shelf deep learning library and hardware. We propose the concept of network pruning spaces that parametrize populations of subnetwork architectures. Based on this concept, we explore the structure aspect of subnetworks that result in minimal loss of accuracy in different pruning regimes and arrive at a series of observations by comparing subnetwork distributions. We conjecture through empirical studies that there exists an optimal FLOPs-to-parameter-bucket ratio related to the design of original network in a pruning regime. Statistically, the structure of a winning subnetwork guarantees an approximately optimal ratio in this regime. Upon our conjectures, we further refine the initial pruning space to reduce the cost of searching a good subnetwork architecture. Our experimental results on ImageNet show that the subnetwork we found is superior to those from the state-of-the-art pruning methods under comparable FLOPs.

Large language models (LLMs) are useful in many NLP tasks and become more capable with size, with the best open-source models having over 50 billion parameters. However, using these 50B+ models requires high-end hardware, making them inaccessible to most researchers. In this work, we investigate methods for cost-efficient inference and fine-tuning of LLMs, comparing local and distributed strategies. We observe that a large enough model (50B+) can run efficiently even on geodistributed devices in a consumer-grade network. This could allow running LLM efficiently by pooling together idle compute resources of multiple research groups and volunteers. We address two open problems: (1) how to perform inference and fine-tuning reliably if any device can disconnect abruptly and (2) how to partition LLMs between devices with uneven hardware, joining and leaving at will. In order to do that, we develop special fault-tolerant inference algorithms and load-balancing protocols that automatically assign devices to maximize the total system throughput. We showcase these algorithms in Petals - a decentralized system that runs Llama 2 (70B) and BLOOM (176B) over the Internet up to 10x faster than offloading for interactive generation. We evaluate the performance of our system in simulated conditions and a real-world setup spanning two continents.

In recent years, there have been remarkable advancements in node classification achieved by Graph Neural Networks (GNNs). However, they necessitate abundant high-quality labels to ensure promising performance. In contrast, Large Language Models (LLMs) exhibit impressive zero-shot proficiency on text-attributed graphs. Yet, they face challenges in efficiently processing structural data and suffer from high inference costs. In light of these observations, this work introduces a label-free node classification on graphs with LLMs pipeline, LLM-GNN. It amalgamates the strengths of both GNNs and LLMs while mitigating their limitations. Specifically, LLMs are leveraged to annotate a small portion of nodes and then GNNs are trained on LLMs' annotations to make predictions for the remaining large portion of nodes. The implementation of LLM-GNN faces a unique challenge: how can we actively select nodes for LLMs to annotate and consequently enhance the GNN training? How can we leverage LLMs to obtain annotations of high quality, representativeness, and diversity, thereby enhancing GNN performance with less cost? To tackle this challenge, we develop an annotation quality heuristic and leverage the confidence scores derived from LLMs to advanced node selection. Comprehensive experimental results validate the effectiveness of LLM-GNN. In particular, LLM-GNN can achieve an accuracy of 74.9% on a vast-scale dataset \products with a cost less than 1 dollar.

Large Language Models (LLMs) have advanced rapidly but face significant memory demands. While quantization has shown promise for LLMs, current methods typically require lengthy training to alleviate the performance degradation from quantization loss. However, deploying LLMs across diverse scenarios with different resource constraints, e.g., servers and personal computers, requires repeated training per application, which amplifies the lengthy training problem. Given that, it is advantageous to train a once-for-all (OFA) supernet capable of yielding diverse optimal subnets for downstream applications through one-shot training. Nonetheless, the scale of current language models impedes efficiency and amplifies interference from weight sharing between subnets. We make an initial attempt to extend the once-for-all framework to large language models. Specifically, we decouple shared weights to eliminate the interference and incorporate Low-Rank adapters for training efficiency. Furthermore, we observe the imbalance allocation of training resources from the traditional uniform sampling. A non-parametric scheduler is introduced to adjust the sampling rate for each quantization configuration, achieving a more balanced allocation among subnets with varying demands. We validate the approach on LLaMA2 families, and downstream evaluation confirms our ability to maintain high performance while significantly reducing deployment time faced with multiple scenarios.

Predicting the bandwidth utilization on network links can be extremely useful for detecting congestion in order to correct them before they occur. In this paper, we present a solution to predict the bandwidth utilization between different network links with a very high accuracy. A simulated network is created to collect data related to the performance of the network links on every interface. These data are processed and expanded with feature engineering in order to create a training set. We evaluate and compare three types of machine learning algorithms, namely ARIMA (AutoRegressive Integrated Moving Average), MLP (Multi Layer Perceptron) and LSTM (Long Short-Term Memory), in order to predict the future bandwidth consumption. The LSTM outperforms ARIMA and MLP with very accurate predictions, rarely exceeding a 3\% error (40\% for ARIMA and 20\% for the MLP). We then show that the proposed solution can be used in real time with a reaction managed by a Software-Defined Networking (SDN) platform.

Large language models (LLMs) such as GPT-3, OPT, and LLaMA have demonstrated remarkable accuracy in a wide range of tasks. However, training these models can incur significant expenses, often requiring tens of thousands of GPUs for months of continuous operation. Typically, this training is carried out in specialized GPU clusters equipped with homogeneous high-speed Remote Direct Memory Access (RDMA) network interface cards (NICs). The acquisition and maintenance of such dedicated clusters is challenging. Current LLM training frameworks, like Megatron-LM and Megatron-DeepSpeed, focus primarily on optimizing training within homogeneous cluster settings. In this paper, we introduce Holmes, a training framework for LLMs that employs thoughtfully crafted data and model parallelism strategies over the heterogeneous NIC environment. Our primary technical contribution lies in a novel scheduling method that intelligently allocates distinct computational tasklets in LLM training to specific groups of GPU devices based on the characteristics of their connected NICs. Furthermore, our proposed framework, utilizing pipeline parallel techniques, demonstrates scalability to multiple GPU clusters, even in scenarios without high-speed interconnects between nodes in distinct clusters. We conducted comprehensive experiments that involved various scenarios in the heterogeneous NIC environment. In most cases, our framework achieves performance levels close to those achievable with homogeneous RDMA-capable networks (InfiniBand or RoCE), significantly exceeding training efficiency within the pure Ethernet environment. Additionally, we verified that our framework outperforms other mainstream LLM frameworks under heterogeneous NIC environment in terms of training efficiency and can be seamlessly integrated with them.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of different networks, while each can last for hours. In this work, we propose the Graph HyperNetwork (GHN) to amortize the search cost: given an architecture, it directly generates the weights by running inference on a graph neural network. GHNs model the topology of an architecture and therefore can predict network performance more accurately than regular hypernetworks and premature early stopping. To perform NAS, we randomly sample architectures and use the validation accuracy of networks with GHN generated weights as the surrogate search signal. GHNs are fast -- they can search nearly 10 times faster than other random search methods on CIFAR-10 and ImageNet. GHNs can be further extended to the anytime prediction setting, where they have found networks with better speed-accuracy tradeoff than the state-of-the-art manual designs.

There is a rapidly growing number of open-source Large Language Models (LLMs) and benchmark datasets to compare them. While some models dominate these benchmarks, no single model typically achieves the best accuracy in all tasks and use cases. In this work, we address the challenge of selecting the best LLM out of a collection of models for new tasks. We propose a new formulation for the problem, in which benchmark datasets are repurposed to learn a "router" model for this LLM selection, and we show that this problem can be reduced to a collection of binary classification tasks. We demonstrate the utility and limitations of learning model routers from various benchmark datasets, where we consistently improve performance upon using any single model for all tasks.

A common way to speed up training of large convolutional networks is to add computational units. Training is then performed using data-parallel synchronous Stochastic Gradient Descent (SGD) with mini-batch divided between computational units. With an increase in the number of nodes, the batch size grows. But training with large batch size often results in the lower model accuracy. We argue that the current recipe for large batch training (linear learning rate scaling with warm-up) is not general enough and training may diverge. To overcome this optimization difficulties we propose a new training algorithm based on Layer-wise Adaptive Rate Scaling (LARS). Using LARS, we scaled Alexnet up to a batch size of 8K, and Resnet-50 to a batch size of 32K without loss in accuracy.

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

Weight sharing promises to make neural architecture search (NAS) tractable even on commodity hardware. Existing methods in this space rely on a diverse set of heuristics to design and train the shared-weight backbone network, a.k.a. the super-net. Since heuristics and hyperparameters substantially vary across different methods, a fair comparison between them can only be achieved by systematically analyzing the influence of these factors. In this paper, we therefore provide a systematic evaluation of the heuristics and hyperparameters that are frequently employed by weight-sharing NAS algorithms. Our analysis uncovers that some commonly-used heuristics for super-net training negatively impact the correlation between super-net and stand-alone performance, and evidences the strong influence of certain hyperparameters and architectural choices. Our code and experiments set a strong and reproducible baseline that future works can build on.

We present network embedding algorithms that capture information about a node from the local distribution over node attributes around it, as observed over random walks following an approach similar to Skip-gram. Observations from neighborhoods of different sizes are either pooled (AE) or encoded distinctly in a multi-scale approach (MUSAE). Capturing attribute-neighborhood relationships over multiple scales is useful for a diverse range of applications, including latent feature identification across disconnected networks with similar attributes. We prove theoretically that matrices of node-feature pointwise mutual information are implicitly factorized by the embeddings. Experiments show that our algorithms are robust, computationally efficient and outperform comparable models on social networks and web graphs.

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GNNs due to the lack of relational knowledge. In this work, to combine the advantages of GNNs and MLPs, we start with exploring direct knowledge distillation (KD) methods for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP), to distill knowledge for link prediction with MLPs. Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose rank-based matching and distribution-based matching strategies that complement each other. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 7 out of 8 benchmarks. LLP also achieves a 70.68x speedup in link prediction inference compared to GNNs on the large-scale OGB dataset.

Federated Learning marks a turning point in the implementation of decentralized machine learning (especially deep learning) for wireless devices by protecting users' privacy and safeguarding raw data from third-party access. It assigns the learning process independently to each client. First, clients locally train a machine learning model based on local data. Next, clients transfer local updates of model weights and biases (training data) to a server. Then, the server aggregates updates (received from clients) to create a global learning model. However, the continuous transfer between clients and the server increases communication costs and is inefficient from a resource utilization perspective due to the large number of parameters (weights and biases) used by deep learning models. The cost of communication becomes a greater concern when the number of contributing clients and communication rounds increases. In this work, we propose a novel framework, FedZip, that significantly decreases the size of updates while transferring weights from the deep learning model between clients and their servers. FedZip implements Top-z sparsification, uses quantization with clustering, and implements compression with three different encoding methods. FedZip outperforms state-of-the-art compression frameworks and reaches compression rates up to 1085x, and preserves up to 99% of bandwidth and 99% of energy for clients during communication.

The public model zoo containing enormous powerful pretrained model families (e.g., ResNet/DeiT) has reached an unprecedented scope than ever, which significantly contributes to the success of deep learning. As each model family consists of pretrained models with diverse scales (e.g., DeiT-Ti/S/B), it naturally arises a fundamental question of how to efficiently assemble these readily available models in a family for dynamic accuracy-efficiency trade-offs at runtime. To this end, we present Stitchable Neural Networks (SN-Net), a novel scalable and efficient framework for model deployment. It cheaply produces numerous networks with different complexity and performance trade-offs given a family of pretrained neural networks, which we call anchors. Specifically, SN-Net splits the anchors across the blocks/layers and then stitches them together with simple stitching layers to map the activations from one anchor to another. With only a few epochs of training, SN-Net effectively interpolates between the performance of anchors with varying scales. At runtime, SN-Net can instantly adapt to dynamic resource constraints by switching the stitching positions. Extensive experiments on ImageNet classification demonstrate that SN-Net can obtain on-par or even better performance than many individually trained networks while supporting diverse deployment scenarios. For example, by stitching Swin Transformers, we challenge hundreds of models in Timm model zoo with a single network. We believe this new elastic model framework can serve as a strong baseline for further research in wider communities.

Deep Graph Neural Networks (GNNs) show promising performance on a range of graph tasks, yet at present are costly to run and lack many of the optimisations applied to DNNs. We show, for the first time, how to systematically quantise GNNs with minimal or no loss in performance using Network Architecture Search (NAS). We define the possible quantisation search space of GNNs. The proposed novel NAS mechanism, named Low Precision Graph NAS (LPGNAS), constrains both architecture and quantisation choices to be differentiable. LPGNAS learns the optimal architecture coupled with the best quantisation strategy for different components in the GNN automatically using back-propagation in a single search round. On eight different datasets, solving the task of classifying unseen nodes in a graph, LPGNAS generates quantised models with significant reductions in both model and buffer sizes but with similar accuracy to manually designed networks and other NAS results. In particular, on the Pubmed dataset, LPGNAS shows a better size-accuracy Pareto frontier compared to seven other manual and searched baselines, offering a 2.3 times reduction in model size but a 0.4% increase in accuracy when compared to the best NAS competitor. Finally, from our collected quantisation statistics on a wide range of datasets, we suggest a W4A8 (4-bit weights, 8-bit activations) quantisation strategy might be the bottleneck for naive GNN quantisations.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

Convolutional Neural Networks (ConvNets) are commonly developed at a fixed resource budget, and then scaled up for better accuracy if more resources are available. In this paper, we systematically study model scaling and identify that carefully balancing network depth, width, and resolution can lead to better performance. Based on this observation, we propose a new scaling method that uniformly scales all dimensions of depth/width/resolution using a simple yet highly effective compound coefficient. We demonstrate the effectiveness of this method on scaling up MobileNets and ResNet. To go even further, we use neural architecture search to design a new baseline network and scale it up to obtain a family of models, called EfficientNets, which achieve much better accuracy and efficiency than previous ConvNets. In particular, our EfficientNet-B7 achieves state-of-the-art 84.3% top-1 accuracy on ImageNet, while being 8.4x smaller and 6.1x faster on inference than the best existing ConvNet. Our EfficientNets also transfer well and achieve state-of-the-art accuracy on CIFAR-100 (91.7%), Flowers (98.8%), and 3 other transfer learning datasets, with an order of magnitude fewer parameters. Source code is at https://github.com/tensorflow/tpu/tree/master/models/official/efficientnet.

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

Designing Transformer architectures with the optimal layer normalization (LN) strategy that ensures large-scale training stability and expedite convergence has remained elusive, even in this era of large language models (LLMs). To this end, we present a comprehensive analytical foundation for understanding how different LN strategies influence training dynamics in large-scale Transformer training. Until recently, Pre-LN and Post-LN have long dominated standard practices despite their limitations in large-scale training. However, several open-source large-scale models have recently begun silently adopting a third strategy without much explanation. This strategy places layer normalization (LN) peripherally around sublayers, a design we term Peri-LN. While Peri-LN has demonstrated promising empirical performance, its precise mechanisms and benefits remain almost unexplored. Our in-depth analysis shows that Peri-LN strikes an ideal balance in variance growth -- unlike Pre-LN and Post-LN, which are prone to vanishing gradients and ``massive activations.'' To validate our theoretical insight, we conduct large-scale experiments on Transformers up to 3.2B parameters, showing that Peri-LN consistently achieves more balanced variance growth, steadier gradient flow, and convergence stability. Our results suggest that Peri-LN warrants broader consideration for large-scale Transformer architectures, providing renewed insights into the optimal placement and application of LN.

Large Language Models (LLMs) have recently gained popularity due to their impressive few-shot performance across various downstream tasks. However, fine-tuning all parameters and storing a unique model for each downstream task or domain becomes impractical because of the massive size of checkpoints (e.g., 350GB in GPT-3). Current literature, such as LoRA, showcases the potential of low-rank modifications to the original weights of an LLM, enabling efficient adaptation and storage for task-specific models. These methods can reduce the number of parameters needed to fine-tune an LLM by several orders of magnitude. Yet, these methods face two primary limitations: 1) the parameter reduction is lower-bounded by the rank one decomposition, and 2) the extent of reduction is heavily influenced by both the model architecture and the chosen rank. For instance, in larger models, even a rank one decomposition might exceed the number of parameters truly needed for adaptation. In this paper, we introduce NOLA, which overcomes the rank one lower bound present in LoRA. It achieves this by re-parameterizing the low-rank matrices in LoRA using linear combinations of randomly generated matrices (basis) and optimizing the linear mixture coefficients only. This approach allows us to decouple the number of trainable parameters from both the choice of rank and the network architecture. We present adaptation results using GPT-2 and ViT in natural language and computer vision tasks. NOLA performs as well as, or better than models with equivalent parameter counts. Furthermore, we demonstrate that we can halve the parameters in larger models compared to LoRA with rank one, without sacrificing performance.

Federated Learning (FL) on graphs enables collaborative model training to enhance performance without compromising the privacy of each client. However, existing methods often overlook the mutable nature of graph data, which frequently introduces new nodes and leads to shifts in label distribution. Since they focus solely on performing well on each client's local data, they are prone to overfitting to their local distributions (i.e., local overfitting), which hinders their ability to generalize to unseen data with diverse label distributions. In contrast, our proposed method, FedLoG, effectively tackles this issue by mitigating local overfitting. Our model generates global synthetic data by condensing the reliable information from each class representation and its structural information across clients. Using these synthetic data as a training set, we alleviate the local overfitting problem by adaptively generalizing the absent knowledge within each local dataset. This enhances the generalization capabilities of local models, enabling them to handle unseen data effectively. Our model outperforms baselines in our proposed experimental settings, which are designed to measure generalization power to unseen data in practical scenarios. Our code is available at https://github.com/sung-won-kim/FedLoG

CNNs are increasingly deployed across different hardware, dynamic environments, and low-power embedded devices. This has led to the design and training of CNN architectures with the goal of maximizing accuracy subject to such variable deployment constraints. As the number of deployment scenarios grows, there is a need to find scalable solutions to design and train specialized CNNs. Once-for-all training has emerged as a scalable approach that jointly co-trains many models (subnets) at once with a constant training cost and finds specialized CNNs later. The scalability is achieved by training the full model and simultaneously reducing it to smaller subnets that share model weights (weight-shared shrinking). However, existing once-for-all training approaches incur huge training costs reaching 1200 GPU hours. We argue this is because they either start the process of shrinking the full model too early or too late. Hence, we propose Delayed epsilon-Shrinking (DepsilonpS) that starts the process of shrinking the full model when it is partially trained (~50%) which leads to training cost improvement and better in-place knowledge distillation to smaller models. The proposed approach also consists of novel heuristics that dynamically adjust subnet learning rates incrementally (E), leading to improved weight-shared knowledge distillation from larger to smaller subnets as well. As a result, DEpS outperforms state-of-the-art once-for-all training techniques across different datasets including CIFAR10/100, ImageNet-100, and ImageNet-1k on accuracy and cost. It achieves 1.83% higher ImageNet-1k top1 accuracy or the same accuracy with 1.3x reduction in FLOPs and 2.5x drop in training cost (GPU*hrs)

In the realm of generative models for graphs, extensive research has been conducted. However, most existing methods struggle with large graphs due to the complexity of representing the entire joint distribution across all node pairs and capturing both global and local graph structures simultaneously. To overcome these issues, we introduce a method that generates a graph by progressively expanding a single node to a target graph. In each step, nodes and edges are added in a localized manner through denoising diffusion, building first the global structure, and then refining the local details. The local generation avoids modeling the entire joint distribution over all node pairs, achieving substantial computational savings with subquadratic runtime relative to node count while maintaining high expressivity through multiscale generation. Our experiments show that our model achieves state-of-the-art performance on well-established benchmark datasets while successfully scaling to graphs with at least 5000 nodes. Our method is also the first to successfully extrapolate to graphs outside of the training distribution, showcasing a much better generalization capability over existing methods.

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve expressive power of message passing neural networks. The method is then extended to higher dimensional WL, leading to a novel k,l-WL algorithm, a more general framework than k-WL. Theoretically, we analyze the expressivity of k,l-WL with respect to k and l and unifies it with a great number of subgraph GNNs. Complexity reduction methods are also systematically discussed to build powerful and practical k,l-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our k,l-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

As their size increases, Large Languages Models (LLMs) are natural candidates for network pruning methods: approaches that drop a subset of network weights while striving to preserve performance. Existing methods, however, require either retraining, which is rarely affordable for billion-scale LLMs, or solving a weight reconstruction problem reliant on second-order information, which may also be computationally expensive. In this paper, we introduce a novel, straightforward yet effective pruning method, termed Wanda (Pruning by Weights and activations), designed to induce sparsity in pretrained LLMs. Motivated by the recent observation of emergent large magnitude features in LLMs, our approach prunes weights with the smallest magnitudes multiplied by the corresponding input activations, on a per-output basis. Notably, Wanda requires no retraining or weight update, and the pruned LLM can be used as is. We conduct a thorough evaluation of our method Wanda on LLaMA and LLaMA-2 across various language benchmarks. Wanda significantly outperforms the established baseline of magnitude pruning and performs competitively against recent method involving intensive weight update. Code is available at https://github.com/locuslab/wanda.

Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve accuracy and result in better products. As DL application domains grow, we would like a deeper understanding of the relationships between training set size, computational scale, and model accuracy improvements to advance the state-of-the-art. This paper presents a large scale empirical characterization of generalization error and model size growth as training sets grow. We introduce a methodology for this measurement and test four machine learning domains: machine translation, language modeling, image processing, and speech recognition. Our empirical results show power-law generalization error scaling across a breadth of factors, resulting in power-law exponents---the "steepness" of the learning curve---yet to be explained by theoretical work. Further, model improvements only shift the error but do not appear to affect the power-law exponent. We also show that model size scales sublinearly with data size. These scaling relationships have significant implications on deep learning research, practice, and systems. They can assist model debugging, setting accuracy targets, and decisions about data set growth. They can also guide computing system design and underscore the importance of continued computational scaling.

The need to analyze graphs is ubiquitous across various fields, from social networks to biological research and recommendation systems. Therefore, enabling the ability of large language models (LLMs) to process graphs is an important step toward more advanced general intelligence. However, current LLM benchmarks on graph analysis require models to directly reason over the prompts describing graph topology, and are thus limited to small graphs with only a few dozens of nodes. In contrast, human experts typically write programs based on popular libraries for task solving, and can thus handle graphs with different scales. To this end, a question naturally arises: can LLMs analyze graphs like professionals? In this paper, we introduce ProGraph, a manually crafted benchmark containing 3 categories of graph tasks. The benchmark expects solutions based on programming instead of directly reasoning over raw inputs. Our findings reveal that the performance of current LLMs is unsatisfactory, with the best model achieving only 36% accuracy. To bridge this gap, we propose LLM4Graph datasets, which include crawled documents and auto-generated codes based on 6 widely used graph libraries. By augmenting closed-source LLMs with document retrieval and fine-tuning open-source ones on the codes, we show 11-32% absolute improvements in their accuracies. Our results underscore that the capabilities of LLMs in handling structured data are still under-explored, and show the effectiveness of LLM4Graph in enhancing LLMs' proficiency of graph analysis. The benchmark, datasets and enhanced open-source models are available at https://github.com/BUPT-GAMMA/ProGraph.

Pruning is a standard technique for reducing the computational cost of deep networks. Many advances in pruning leverage concepts from the Lottery Ticket Hypothesis (LTH). LTH reveals that inside a trained dense network exists sparse subnetworks (tickets) able to achieve similar accuracy (i.e., win the lottery - winning tickets). Pruning at initialization focuses on finding winning tickets without training a dense network. Studies on these concepts share the trend that subnetworks come from weight or filter pruning. In this work, we investigate LTH and pruning at initialization from the lens of layer pruning. First, we confirm the existence of winning tickets when the pruning process removes layers. Leveraged by this observation, we propose to discover these winning tickets at initialization, eliminating the requirement of heavy computational resources for training the initial (over-parameterized) dense network. Extensive experiments show that our winning tickets notably speed up the training phase and reduce up to 51% of carbon emission, an important step towards democratization and green Artificial Intelligence. Beyond computational benefits, our winning tickets exhibit robustness against adversarial and out-of-distribution examples. Finally, we show that our subnetworks easily win the lottery at initialization while tickets from filter removal (the standard structured LTH) hardly become winning tickets.

Federated Learning (FL) typically involves a large-scale, distributed system with individual user devices/servers training models locally and then aggregating their model updates on a trusted central server. Existing systems for FL often use an always-on server for model aggregation, which can be inefficient in terms of resource utilization. They may also be inelastic in their resource management. This is particularly exacerbated when aggregating model updates at scale in a highly dynamic environment with varying numbers of heterogeneous user devices/servers. We present LIFL, a lightweight and elastic serverless cloud platform with fine-grained resource management for efficient FL aggregation at scale. LIFL is enhanced by a streamlined, event-driven serverless design that eliminates the individual heavy-weight message broker and replaces inefficient container-based sidecars with lightweight eBPF-based proxies. We leverage shared memory processing to achieve high-performance communication for hierarchical aggregation, which is commonly adopted to speed up FL aggregation at scale. We further introduce locality-aware placement in LIFL to maximize the benefits of shared memory processing. LIFL precisely scales and carefully reuses the resources for hierarchical aggregation to achieve the highest degree of parallelism while minimizing the aggregation time and resource consumption. Our experimental results show that LIFL achieves significant improvement in resource efficiency and aggregation speed for supporting FL at scale, compared to existing serverful and serverless FL systems.

Training a neural network is a monolithic endeavor, akin to carving knowledge into stone: once the process is completed, editing the knowledge in a network is nearly impossible, since all information is distributed across the network's weights. We here explore a simple, compelling alternative by marrying the representational power of deep neural networks with the flexibility of a database. Decomposing the task of image classification into image similarity (from a pre-trained embedding) and search (via fast nearest neighbor retrieval from a knowledge database), we build a simple and flexible visual memory that has the following key capabilities: (1.) The ability to flexibly add data across scales: from individual samples all the way to entire classes and billion-scale data; (2.) The ability to remove data through unlearning and memory pruning; (3.) An interpretable decision-mechanism on which we can intervene to control its behavior. Taken together, these capabilities comprehensively demonstrate the benefits of an explicit visual memory. We hope that it might contribute to a conversation on how knowledge should be represented in deep vision models -- beyond carving it in ``stone'' weights.

Recent prevailing works on graph machine learning typically follow a similar methodology that involves designing advanced variants of graph neural networks (GNNs) to maintain the superior performance of GNNs on different graphs. In this paper, we aim to streamline the GNN design process and leverage the advantages of Large Language Models (LLMs) to improve the performance of GNNs on downstream tasks. We formulate a new paradigm, coined "LLMs-as-Consultants," which integrates LLMs with GNNs in an interactive manner. A framework named LOGIN (LLM Consulted GNN training) is instantiated, empowering the interactive utilization of LLMs within the GNN training process. First, we attentively craft concise prompts for spotted nodes, carrying comprehensive semantic and topological information, and serving as input to LLMs. Second, we refine GNNs by devising a complementary coping mechanism that utilizes the responses from LLMs, depending on their correctness. We empirically evaluate the effectiveness of LOGIN on node classification tasks across both homophilic and heterophilic graphs. The results illustrate that even basic GNN architectures, when employed within the proposed LLMs-as-Consultants paradigm, can achieve comparable performance to advanced GNNs with intricate designs. Our codes are available at https://github.com/QiaoYRan/LOGIN.

We study empirical scaling laws for language model performance on the cross-entropy loss. The loss scales as a power-law with model size, dataset size, and the amount of compute used for training, with some trends spanning more than seven orders of magnitude. Other architectural details such as network width or depth have minimal effects within a wide range. Simple equations govern the dependence of overfitting on model/dataset size and the dependence of training speed on model size. These relationships allow us to determine the optimal allocation of a fixed compute budget. Larger models are significantly more sample-efficient, such that optimally compute-efficient training involves training very large models on a relatively modest amount of data and stopping significantly before convergence.

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

As the range of applications for Large Language Models (LLMs) continues to grow, the demand for effective serving solutions becomes increasingly critical. Despite the versatility of LLMs, no single model can optimally address all tasks and applications, particularly when balancing performance with cost. This limitation has led to the development of LLM routing systems, which combine the strengths of various models to overcome the constraints of individual LLMs. Yet, the absence of a standardized benchmark for evaluating the performance of LLM routers hinders progress in this area. To bridge this gap, we present RouterBench, a novel evaluation framework designed to systematically assess the efficacy of LLM routing systems, along with a comprehensive dataset comprising over 405k inference outcomes from representative LLMs to support the development of routing strategies. We further propose a theoretical framework for LLM routing, and deliver a comparative analysis of various routing approaches through RouterBench, highlighting their potentials and limitations within our evaluation framework. This work not only formalizes and advances the development of LLM routing systems but also sets a standard for their assessment, paving the way for more accessible and economically viable LLM deployments. The code and data are available at https://github.com/withmartian/routerbench.

When designing Convolutional Neural Networks (CNNs), one must select the size\break of the convolutional kernels before training. Recent works show CNNs benefit from different kernel sizes at different layers, but exploring all possible combinations is unfeasible in practice. A more efficient approach is to learn the kernel size during training. However, existing works that learn the kernel size have a limited bandwidth. These approaches scale kernels by dilation, and thus the detail they can describe is limited. In this work, we propose FlexConv, a novel convolutional operation with which high bandwidth convolutional kernels of learnable kernel size can be learned at a fixed parameter cost. FlexNets model long-term dependencies without the use of pooling, achieve state-of-the-art performance on several sequential datasets, outperform recent works with learned kernel sizes, and are competitive with much deeper ResNets on image benchmark datasets. Additionally, FlexNets can be deployed at higher resolutions than those seen during training. To avoid aliasing, we propose a novel kernel parameterization with which the frequency of the kernels can be analytically controlled. Our novel kernel parameterization shows higher descriptive power and faster convergence speed than existing parameterizations. This leads to important improvements in classification accuracy.

State-of-the-art LLMs often rely on scale with high computational costs, which has sparked a research agenda to reduce parameter counts and costs without significantly impacting performance. Our study focuses on Transformer-based LLMs, specifically applying low-rank parametrization to the computationally intensive feedforward networks (FFNs), which are less studied than attention blocks. In contrast to previous works, (i) we explore low-rank parametrization at scale, up to 1.3B parameters; (ii) within Transformer language models rather than convolutional architectures; and (iii) starting from training from scratch. Experiments on the large RefinedWeb dataset show that low-rank parametrization is both efficient (e.g., 2.6times FFN speed-up with 32\% parameters) and effective during training. Interestingly, these structured FFNs exhibit steeper scaling curves than the original models. Motivated by this finding, we develop the wide and structured networks surpassing the current medium-sized and large-sized Transformer in perplexity and throughput performance. Our code is available at https://github.com/CLAIRE-Labo/StructuredFFN/tree/main.

Neural architecture search (NAS) has shown promising results discovering models that are both accurate and fast. For NAS, training a one-shot model has become a popular strategy to rank the relative quality of different architectures (child models) using a single set of shared weights. However, while one-shot model weights can effectively rank different network architectures, the absolute accuracies from these shared weights are typically far below those obtained from stand-alone training. To compensate, existing methods assume that the weights must be retrained, finetuned, or otherwise post-processed after the search is completed. These steps significantly increase the compute requirements and complexity of the architecture search and model deployment. In this work, we propose BigNAS, an approach that challenges the conventional wisdom that post-processing of the weights is necessary to get good prediction accuracies. Without extra retraining or post-processing steps, we are able to train a single set of shared weights on ImageNet and use these weights to obtain child models whose sizes range from 200 to 1000 MFLOPs. Our discovered model family, BigNASModels, achieve top-1 accuracies ranging from 76.5% to 80.9%, surpassing state-of-the-art models in this range including EfficientNets and Once-for-All networks without extra retraining or post-processing. We present ablative study and analysis to further understand the proposed BigNASModels.

Large language models (LLMs) exhibit remarkable reasoning abilities, allowing them to generalize across a wide range of downstream tasks, such as commonsense reasoning or instruction following. However, as LLMs scale, inference costs become increasingly prohibitive, accumulating significantly over their life cycle. This poses the question: Can we compress pre-trained LLMs to meet diverse size and latency requirements? We leverage Neural Architecture Search (NAS) to compress LLMs by pruning structural components, such as attention heads, neurons, and layers, aiming to achieve a Pareto-optimal balance between performance and efficiency. While NAS already achieved promising results on small language models in previous work, in this paper we propose various extensions that allow us to scale to LLMs. Compared to structural pruning baselines, we show that NAS improves performance up to 3.4% on MMLU with an on-device latency speedup.

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models.

In this work, the Localized Filtering-based Attention (LFA) is introduced to incorporate prior knowledge of local dependencies of natural language into Attention. Based on LFA, we develop and release Yuan 2.0, a large language model with parameters ranging from 2.1 billion to 102.6 billion. A data filtering and generation method is presented to build pretraining and fine-tuning dataset in high quality. A distributed training method with non-uniform pipeline parallel, data parallel, and optimizer parallel is proposed, which greatly reduces the bandwidth requirements of intra-node communication, and achieves good performance in large-scale distributed training. Yuan 2.0 models display impressive ability in code generation, math problem-solving, and chat compared with existing models. The latest version of YUAN 2.0, including model weights and source code, is accessible at Github.

In this paper, we show that Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021) leads to suboptimal finetuning of models with large width (embedding dimension). This is due to the fact that adapter matrices A and B in LoRA are updated with the same learning rate. Using scaling arguments for large width networks, we demonstrate that using the same learning rate for A and B does not allow efficient feature learning. We then show that this suboptimality of LoRA can be corrected simply by setting different learning rates for the LoRA adapter matrices A and B with a well-chosen ratio. We call this proposed algorithm LoRA+. In our extensive experiments, LoRA+ improves performance (1-2 % improvements) and finetuning speed (up to sim 2X SpeedUp), at the same computational cost as LoRA.

Neural architecture search (NAS) has a great impact by automatically designing effective neural network architectures. However, the prohibitive computational demand of conventional NAS algorithms (e.g. 10^4 GPU hours) makes it difficult to directly search the architectures on large-scale tasks (e.g. ImageNet). Differentiable NAS can reduce the cost of GPU hours via a continuous representation of network architecture but suffers from the high GPU memory consumption issue (grow linearly w.r.t. candidate set size). As a result, they need to utilize~proxy tasks, such as training on a smaller dataset, or learning with only a few blocks, or training just for a few epochs. These architectures optimized on proxy tasks are not guaranteed to be optimal on the target task. In this paper, we present ProxylessNAS that can directly learn the architectures for large-scale target tasks and target hardware platforms. We address the high memory consumption issue of differentiable NAS and reduce the computational cost (GPU hours and GPU memory) to the same level of regular training while still allowing a large candidate set. Experiments on CIFAR-10 and ImageNet demonstrate the effectiveness of directness and specialization. On CIFAR-10, our model achieves 2.08\% test error with only 5.7M parameters, better than the previous state-of-the-art architecture AmoebaNet-B, while using 6times fewer parameters. On ImageNet, our model achieves 3.1\% better top-1 accuracy than MobileNetV2, while being 1.2times faster with measured GPU latency. We also apply ProxylessNAS to specialize neural architectures for hardware with direct hardware metrics (e.g. latency) and provide insights for efficient CNN architecture design.

The performance of neural networks scales with both their size and the amount of data they have been trained on. This is shown in both language and image generation. However, this requires scaling-friendly network architectures as well as large-scale datasets. Even though scaling-friendly architectures like transformers have emerged for 3D vision tasks, the GPT-moment of 3D vision remains distant due to the lack of training data. In this paper, we introduce ARKit LabelMaker, the first large-scale, real-world 3D dataset with dense semantic annotations. Specifically, we complement ARKitScenes dataset with dense semantic annotations that are automatically generated at scale. To this end, we extend LabelMaker, a recent automatic annotation pipeline, to serve the needs of large-scale pre-training. This involves extending the pipeline with cutting-edge segmentation models as well as making it robust to the challenges of large-scale processing. Further, we push forward the state-of-the-art performance on ScanNet and ScanNet200 dataset with prevalent 3D semantic segmentation models, demonstrating the efficacy of our generated dataset.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Training deep neural networks (DNNs) using traditional backpropagation (BP) presents challenges in terms of computational complexity and energy consumption, particularly for on-device learning where computational resources are limited. Various alternatives to BP, including random feedback alignment, forward-forward, and local classifiers, have been explored to address these challenges. These methods have their advantages, but they can encounter difficulties when dealing with intricate visual tasks or demand considerable computational resources. In this paper, we propose a novel Local Learning rule inspired by neural activity Synchronization phenomena (LLS) observed in the brain. LLS utilizes fixed periodic basis vectors to synchronize neuron activity within each layer, enabling efficient training without the need for additional trainable parameters. We demonstrate the effectiveness of LLS and its variations, LLS-M and LLS-MxM, on multiple image classification datasets, achieving accuracy comparable to BP with reduced computational complexity and minimal additional parameters. Furthermore, the performance of LLS on the Visual Wake Word (VWW) dataset highlights its suitability for on-device learning tasks, making it a promising candidate for edge hardware implementations.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

We present PeFLL, a new personalized federated learning algorithm that improves over the state-of-the-art in three aspects: 1) it produces more accurate models, especially in the low-data regime, and not only for clients present during its training phase, but also for any that may emerge in the future; 2) it reduces the amount of on-client computation and client-server communication by providing future clients with ready-to-use personalized models that require no additional finetuning or optimization; 3) it comes with theoretical guarantees that establish generalization from the observed clients to future ones. At the core of PeFLL lies a learning-to-learn approach that jointly trains an embedding network and a hypernetwork. The embedding network is used to represent clients in a latent descriptor space in a way that reflects their similarity to each other. The hypernetwork takes as input such descriptors and outputs the parameters of fully personalized client models. In combination, both networks constitute a learning algorithm that achieves state-of-the-art performance in several personalized federated learning benchmarks.

Graph Convolutional Networks (GCNs) are powerful models for learning representations of attributed graphs. To scale GCNs to large graphs, state-of-the-art methods use various layer sampling techniques to alleviate the "neighbor explosion" problem during minibatch training. We propose GraphSAINT, a graph sampling based inductive learning method that improves training efficiency and accuracy in a fundamentally different way. By changing perspective, GraphSAINT constructs minibatches by sampling the training graph, rather than the nodes or edges across GCN layers. Each iteration, a complete GCN is built from the properly sampled subgraph. Thus, we ensure fixed number of well-connected nodes in all layers. We further propose normalization technique to eliminate bias, and sampling algorithms for variance reduction. Importantly, we can decouple the sampling from the forward and backward propagation, and extend GraphSAINT with many architecture variants (e.g., graph attention, jumping connection). GraphSAINT demonstrates superior performance in both accuracy and training time on five large graphs, and achieves new state-of-the-art F1 scores for PPI (0.995) and Reddit (0.970).

Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods, however, are known to suffer from two major limitations: over-squashing and poor capturing of long-range dependencies. Recently, Graph Transformers (GTs) emerged as a powerful alternative to Message-Passing Neural Networks (MPNNs). GTs, however, have quadratic computational cost, lack inductive biases on graph structures, and rely on complex Positional/Structural Encodings (SE/PE). In this paper, we show that while Transformers, complex message-passing, and SE/PE are sufficient for good performance in practice, neither is necessary. Motivated by the recent success of State Space Models (SSMs), such as Mamba, we present Graph Mamba Networks (GMNs), a general framework for a new class of GNNs based on selective SSMs. We discuss and categorize the new challenges when adopting SSMs to graph-structured data, and present four required and one optional steps to design GMNs, where we choose (1) Neighborhood Tokenization, (2) Token Ordering, (3) Architecture of Bidirectional Selective SSM Encoder, (4) Local Encoding, and dispensable (5) PE and SE. We further provide theoretical justification for the power of GMNs. Experiments demonstrate that despite much less computational cost, GMNs attain an outstanding performance in long-range, small-scale, large-scale, and heterophilic benchmark datasets.

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM performance on new experiment configurations? Answering this question has practical implications for LLM users (e.g., deciding which models to try), developers (e.g., prioritizing evaluation on representative tasks), and the research community (e.g., identifying hard-to-predict capabilities that warrant further investigation). We study the performance prediction problem on experiment records from BIG-bench. On a random train-test split, an MLP-based predictor achieves an R^2 score greater than 95%, indicating the presence of learnable patterns within the experiment records. We then formulate the problem of searching for "small-bench," an informative subset of BIG-bench tasks from which the performance on the full set can be maximally recovered. We find a subset as informative as BIG-bench Hard for evaluating new model families, while being 3times smaller. Additionally, we find competitive subsets by clustering task representations learned by our MLP-based predictor and selecting tasks close to cluster centroids, highlighting the importance of task diversity in constructing "small-bench."

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Local stochastic gradient descent (Local-SGD), also referred to as federated averaging, is an approach to distributed optimization where each device performs more than one SGD update per communication. This work presents an empirical study of {\it asynchronous} Local-SGD for training language models; that is, each worker updates the global parameters as soon as it has finished its SGD steps. We conduct a comprehensive investigation by examining how worker hardware heterogeneity, model size, number of workers, and optimizer could impact the learning performance. We find that with naive implementations, asynchronous Local-SGD takes more iterations to converge than its synchronous counterpart despite updating the (global) model parameters more frequently. We identify momentum acceleration on the global parameters when worker gradients are stale as a key challenge. We propose a novel method that utilizes a delayed Nesterov momentum update and adjusts the workers' local training steps based on their computation speed. This approach, evaluated with models up to 150M parameters on the C4 dataset, matches the performance of synchronous Local-SGD in terms of perplexity per update step, and significantly surpasses it in terms of wall clock time.

The scalability of deep learning models is fundamentally limited by computing resources, memory, and communication. Although methods like low-rank adaptation (LoRA) have reduced the cost of model finetuning, its application in model pre-training remains largely unexplored. This paper explores extending LoRA to model pre-training, identifying the inherent constraints and limitations of standard LoRA in this context. We introduce LoRA-the-Explorer (LTE), a novel bi-level optimization algorithm designed to enable parallel training of multiple low-rank heads across computing nodes, thereby reducing the need for frequent synchronization. Our approach includes extensive experimentation on vision transformers using various vision datasets, demonstrating that LTE is competitive with standard pre-training.

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks follow a standard message-passing paradigm: at every layer, each node state is updated based on an aggregate of messages from its neighborhood. In this work, we propose a novel framework for training graph neural networks, where every node is viewed as a player that can choose to either 'listen', 'broadcast', 'listen and broadcast', or to 'isolate'. The standard message propagation scheme can then be viewed as a special case of this framework where every node 'listens and broadcasts' to all neighbors. Our approach offers a more flexible and dynamic message-passing paradigm, where each node can determine its own strategy based on their state, effectively exploring the graph topology while learning. We provide a theoretical analysis of the new message-passing scheme which is further supported by an extensive empirical analysis on a synthetic dataset and on real-world datasets.

Graph neural networks (GNNs) are machine learning models specialized for graph data and widely used in many applications. To train GNNs on large graphs that exceed CPU memory, several systems store data on disk and conduct out-of-core processing. However, these systems suffer from either read amplification when reading node features that are usually smaller than a disk page or degraded model accuracy by treating the graph as disconnected partitions. To close this gap, we build a system called DiskGNN, which achieves high I/O efficiency and thus fast training without hurting model accuracy. The key technique used by DiskGNN is offline sampling, which helps decouple graph sampling from model computation. In particular, by conducting graph sampling beforehand, DiskGNN acquires the node features that will be accessed by model computation, and such information is utilized to pack the target node features contiguously on disk to avoid read amplification. Besides, also adopts designs including four-level feature store to fully utilize the memory hierarchy to cache node features and reduce disk access, batched packing to accelerate the feature packing process, and pipelined training to overlap disk access with other operations. We compare DiskGNN with Ginex and MariusGNN, which are state-of-the-art systems for out-of-core GNN training. The results show that DiskGNN can speed up the baselines by over 8x while matching their best model accuracy.

We introduce NeuralProphet, a successor to Facebook Prophet, which set an industry standard for explainable, scalable, and user-friendly forecasting frameworks. With the proliferation of time series data, explainable forecasting remains a challenging task for business and operational decision making. Hybrid solutions are needed to bridge the gap between interpretable classical methods and scalable deep learning models. We view Prophet as a precursor to such a solution. However, Prophet lacks local context, which is essential for forecasting the near-term future and is challenging to extend due to its Stan backend. NeuralProphet is a hybrid forecasting framework based on PyTorch and trained with standard deep learning methods, making it easy for developers to extend the framework. Local context is introduced with auto-regression and covariate modules, which can be configured as classical linear regression or as Neural Networks. Otherwise, NeuralProphet retains the design philosophy of Prophet and provides the same basic model components. Our results demonstrate that NeuralProphet produces interpretable forecast components of equivalent or superior quality to Prophet on a set of generated time series. NeuralProphet outperforms Prophet on a diverse collection of real-world datasets. For short to medium-term forecasts, NeuralProphet improves forecast accuracy by 55 to 92 percent.

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models, speculative decoding, and early exit strategies leverage the insight that computational demands can vary significantly based on the complexity and nature of the input. However, identifying optimal routing patterns for dynamic execution remains an open challenge, limiting the full potential of these adaptive methods. To address this need, we study adaptive computation in LLMs more systematically. We propose a novel framework that integrates smaller auxiliary modules within each Feed-Forward Network layer of the LLM. This design enables dynamic routing of tokens based on task complexity: tokens can be processed by either the small or big modules at each layer, or even bypass certain layers entirely. This allows us to introduce a novel notion of a token's difficulty, defined by its potential to benefit from additional computational resources. Importantly, by employing oracles to identify optimal patterns of adaptive computations, we gain valuable insights into the internal workings of LLMs and the routing processes in a simplified heterogeneous MoE setup. We show that trained routers operate differently from oracles and often yield suboptimal solutions. Notably, activating a large module in just one layer outperforms models that use large modules across all layers, underscoring the gap between practical implementations of routing in MoE models and theoretical optima for adaptive computation.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size NO times NO, taking O((NO)^2) memory and up to O((NO)^3) computation. Most existing applications have therefore used one of a handful of approximations yielding N times N kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

We address the challenging problem of efficient inference across many devices and resource constraints, especially on edge devices. Conventional approaches either manually design or use neural architecture search (NAS) to find a specialized neural network and train it from scratch for each case, which is computationally prohibitive (causing CO_2 emission as much as 5 cars' lifetime) thus unscalable. In this work, we propose to train a once-for-all (OFA) network that supports diverse architectural settings by decoupling training and search, to reduce the cost. We can quickly get a specialized sub-network by selecting from the OFA network without additional training. To efficiently train OFA networks, we also propose a novel progressive shrinking algorithm, a generalized pruning method that reduces the model size across many more dimensions than pruning (depth, width, kernel size, and resolution). It can obtain a surprisingly large number of sub-networks (> 10^{19}) that can fit different hardware platforms and latency constraints while maintaining the same level of accuracy as training independently. On diverse edge devices, OFA consistently outperforms state-of-the-art (SOTA) NAS methods (up to 4.0% ImageNet top1 accuracy improvement over MobileNetV3, or same accuracy but 1.5x faster than MobileNetV3, 2.6x faster than EfficientNet w.r.t measured latency) while reducing many orders of magnitude GPU hours and CO_2 emission. In particular, OFA achieves a new SOTA 80.0% ImageNet top-1 accuracy under the mobile setting (<600M MACs). OFA is the winning solution for the 3rd Low Power Computer Vision Challenge (LPCVC), DSP classification track and the 4th LPCVC, both classification track and detection track. Code and 50 pre-trained models (for many devices & many latency constraints) are released at https://github.com/mit-han-lab/once-for-all.

Federated and decentralized machine learning leverage end-user devices for privacy-preserving training of models at lower operating costs than within a data center. In a round of Federated Learning (FL), a random sample of participants trains locally, then a central server aggregates the local models to produce a single model for the next round. In a round of Decentralized Learning (DL), all participants train locally and then aggregate with their immediate neighbors, resulting in many local models with residual variance between them. On the one hand, FL's sampling and lower model variance provides lower communication costs and faster convergence. On the other hand, DL removes the need for a central server and distributes the communication costs more evenly amongst nodes, albeit at a larger total communication cost and slower convergence. In this paper, we present MoDeST: Mostly-Consistent Decentralized Sampling Training. MoDeST implements decentralized sampling in which a random subset of nodes is responsible for training and aggregation every round: this provides the benefits of both FL and DL without their traditional drawbacks. Our evaluation of MoDeST on four common learning tasks: (i) confirms convergence as fast as FL, (ii) shows a 3x-14x reduction in communication costs compared to DL, and (iii) demonstrates that MoDeST quickly adapts to nodes joining, leaving, or failing, even when 80% of all nodes become unresponsive.

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13%.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

We develop an approach to growing deep network architectures over the course of training, driven by a principled combination of accuracy and sparsity objectives. Unlike existing pruning or architecture search techniques that operate on full-sized models or supernet architectures, our method can start from a small, simple seed architecture and dynamically grow and prune both layers and filters. By combining a continuous relaxation of discrete network structure optimization with a scheme for sampling sparse subnetworks, we produce compact, pruned networks, while also drastically reducing the computational expense of training. For example, we achieve 49.7% inference FLOPs and 47.4% training FLOPs savings compared to a baseline ResNet-50 on ImageNet, while maintaining 75.2% top-1 accuracy -- all without any dedicated fine-tuning stage. Experiments across CIFAR, ImageNet, PASCAL VOC, and Penn Treebank, with convolutional networks for image classification and semantic segmentation, and recurrent networks for language modeling, demonstrate that we both train faster and produce more efficient networks than competing architecture pruning or search methods.

Widely observed neural scaling laws, in which error falls off as a power of the training set size, model size, or both, have driven substantial performance improvements in deep learning. However, these improvements through scaling alone require considerable costs in compute and energy. Here we focus on the scaling of error with dataset size and show how in theory we can break beyond power law scaling and potentially even reduce it to exponential scaling instead if we have access to a high-quality data pruning metric that ranks the order in which training examples should be discarded to achieve any pruned dataset size. We then test this improved scaling prediction with pruned dataset size empirically, and indeed observe better than power law scaling in practice on ResNets trained on CIFAR-10, SVHN, and ImageNet. Next, given the importance of finding high-quality pruning metrics, we perform the first large-scale benchmarking study of ten different data pruning metrics on ImageNet. We find most existing high performing metrics scale poorly to ImageNet, while the best are computationally intensive and require labels for every image. We therefore developed a new simple, cheap and scalable self-supervised pruning metric that demonstrates comparable performance to the best supervised metrics. Overall, our work suggests that the discovery of good data-pruning metrics may provide a viable path forward to substantially improved neural scaling laws, thereby reducing the resource costs of modern deep learning.

Large language models (LLMs) exhibit impressive capabilities across a wide range of tasks, yet the choice of which model to use often involves a trade-off between performance and cost. More powerful models, though effective, come with higher expenses, while less capable models are more cost-effective. To address this dilemma, we propose several efficient router models that dynamically select between a stronger and a weaker LLM during inference, aiming to optimize the balance between cost and response quality. We develop a training framework for these routers leveraging human preference data and data augmentation techniques to enhance performance. Our evaluation on widely-recognized benchmarks shows that our approach significantly reduces costs-by over 2 times in certain cases-without compromising the quality of responses. Interestingly, our router models also demonstrate significant transfer learning capabilities, maintaining their performance even when the strong and weak models are changed at test time. This highlights the potential of these routers to provide a cost-effective yet high-performance solution for deploying LLMs.

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Recent advancements in Large Language Models (LLMs) such as GPT4 have displayed exceptional multi-modal capabilities in following open-ended instructions given images. However, the performance of these models heavily relies on design choices such as network structures, training data, and training strategies, and these choices have not been extensively discussed in the literature, making it difficult to quantify progress in this field. To address this issue, this paper presents a systematic and comprehensive study, quantitatively and qualitatively, on training such models. We implement over 20 variants with controlled settings. Concretely, for network structures, we compare different LLM backbones and model designs. For training data, we investigate the impact of data and sampling strategies. For instructions, we explore the influence of diversified prompts on the instruction-following ability of the trained models. For benchmarks, we contribute the first, to our best knowledge, comprehensive evaluation set including both image and video tasks through crowd-sourcing. Based on our findings, we present Lynx, which performs the most accurate multi-modal understanding while keeping the best multi-modal generation ability compared to existing open-sourced GPT4-style models.

Pioneering advancements in large language model-powered agents have underscored the design pattern of multi-agent collaboration, demonstrating that collective intelligence can surpass the capabilities of each individual. Inspired by the neural scaling law, which posits that increasing neurons leads to emergent abilities, this study investigates whether a similar principle applies to increasing agents in multi-agent collaboration. Technically, we propose multi-agent collaboration networks (MacNet), which utilize directed acyclic graphs to organize agents and streamline their interactive reasoning via topological ordering, with solutions derived from their dialogues. Extensive experiments show that MacNet consistently outperforms baseline models, enabling effective agent collaboration across various network topologies and supporting cooperation among more than a thousand agents. Notably, we observed a small-world collaboration phenomenon, where topologies resembling small-world properties achieved superior performance. Additionally, we identified a collaborative scaling law, indicating that normalized solution quality follows a logistic growth pattern as scaling agents, with collaborative emergence occurring much earlier than previously observed instances of neural emergence. The code and data will be available at https://github.com/OpenBMB/ChatDev.

Based on the weight-sharing mechanism, one-shot NAS methods train a supernet and then inherit the pre-trained weights to evaluate sub-models, largely reducing the search cost. However, several works have pointed out that the shared weights suffer from different gradient descent directions during training. And we further find that large gradient variance occurs during supernet training, which degrades the supernet ranking consistency. To mitigate this issue, we propose to explicitly minimize the gradient variance of the supernet training by jointly optimizing the sampling distributions of PAth and DAta (PA&DA). We theoretically derive the relationship between the gradient variance and the sampling distributions, and reveal that the optimal sampling probability is proportional to the normalized gradient norm of path and training data. Hence, we use the normalized gradient norm as the importance indicator for path and training data, and adopt an importance sampling strategy for the supernet training. Our method only requires negligible computation cost for optimizing the sampling distributions of path and data, but achieves lower gradient variance during supernet training and better generalization performance for the supernet, resulting in a more consistent NAS. We conduct comprehensive comparisons with other improved approaches in various search spaces. Results show that our method surpasses others with more reliable ranking performance and higher accuracy of searched architectures, showing the effectiveness of our method. Code is available at https://github.com/ShunLu91/PA-DA.

Training large-scale models under given resources requires careful design of parallelism strategies. In particular, the efficiency notion of critical batch size (CBS), concerning the compromise between time and compute, marks the threshold beyond which greater data parallelism leads to diminishing returns. To operationalize it, we propose a measure of CBS and pre-train a series of auto-regressive language models, ranging from 85 million to 1.2 billion parameters, on the C4 dataset. Through extensive hyper-parameter sweeps and careful control of factors such as batch size, momentum, and learning rate along with its scheduling, we systematically investigate the impact of scale on CBS. Then we fit scaling laws with respect to model and data sizes to decouple their effects. Overall, our results demonstrate that CBS scales primarily with data size rather than model size, a finding we justify theoretically through the analysis of infinite-width limits of neural networks and infinite-dimensional least squares regression. Of independent interest, we highlight the importance of common hyper-parameter choices and strategies for studying large-scale pre-training beyond fixed training durations.

Decentralised Machine Learning (DML) enables collaborative machine learning without centralised input data. Federated Learning (FL) and Edge Inference are examples of DML. While tools for DML (especially FL) are starting to flourish, many are not flexible and portable enough to experiment with novel processors (e.g., RISC-V), non-fully connected network topologies, and asynchronous collaboration schemes. We overcome these limitations via a domain-specific language allowing us to map DML schemes to an underlying middleware, i.e. the FastFlow parallel programming library. We experiment with it by generating different working DML schemes on x86-64 and ARM platforms and an emerging RISC-V one. We characterise the performance and energy efficiency of the presented schemes and systems. As a byproduct, we introduce a RISC-V porting of the PyTorch framework, the first publicly available to our knowledge.

In diffusion models, UNet is the most popular network backbone, since its long skip connects (LSCs) to connect distant network blocks can aggregate long-distant information and alleviate vanishing gradient. Unfortunately, UNet often suffers from unstable training in diffusion models which can be alleviated by scaling its LSC coefficients smaller. However, theoretical understandings of the instability of UNet in diffusion models and also the performance improvement of LSC scaling remain absent yet. To solve this issue, we theoretically show that the coefficients of LSCs in UNet have big effects on the stableness of the forward and backward propagation and robustness of UNet. Specifically, the hidden feature and gradient of UNet at any layer can oscillate and their oscillation ranges are actually large which explains the instability of UNet training. Moreover, UNet is also provably sensitive to perturbed input, and predicts an output distant from the desired output, yielding oscillatory loss and thus oscillatory gradient. Besides, we also observe the theoretical benefits of the LSC coefficient scaling of UNet in the stableness of hidden features and gradient and also robustness. Finally, inspired by our theory, we propose an effective coefficient scaling framework ScaleLong that scales the coefficients of LSC in UNet and better improves the training stability of UNet. Experimental results on four famous datasets show that our methods are superior to stabilize training and yield about 1.5x training acceleration on different diffusion models with UNet or UViT backbones. Code: https://github.com/sail-sg/ScaleLong

Convolutional networks are large linear systems divided into layers and connected by non-linear units. These units are the "articulations" that allow the network to adapt to the input. To understand how a network manages to solve a problem we must look at the articulated decisions in entirety. If we could capture the actions of non-linear units for a particular input, we would be able to replay the whole system back and forth as if it was always linear. It would also reveal the actions of non-linearities because the resulting linear system, a Linear Interpreter, depends on the input image. We introduce a hooking layer, called a LinearScope, which allows us to run the network and the linear interpreter in parallel. Its implementation is simple, flexible and efficient. From here we can make many curious inquiries: how do these linear systems look like? When the rows and columns of the transformation matrix are images, how do they look like? What type of basis do these linear transformations rely on? The answers depend on the problems presented, through which we take a tour to some popular architectures used for classification, super-resolution (SR) and image-to-image translation (I2I). For classification we observe that popular networks use a pixel-wise vote per class strategy and heavily rely on bias parameters. For SR and I2I we find that CNNs use wavelet-type basis similar to the human visual system. For I2I we reveal copy-move and template-creation strategies to generate outputs.

Decentralized training of deep neural networks has attracted significant attention for its theoretically superior scalability over synchronous data-parallel methods like All-Reduce. However, realizing this potential in multi-node training is challenging due to the complex design space that involves communication topologies, computation patterns, and optimization algorithms. This paper identifies three key factors that can lead to speedups over All-Reduce training and constructs a runtime model to determine when, how, and to what degree decentralization can yield shorter per-iteration runtimes. Furthermore, to support the decentralized training of transformer-based models, we study a decentralized Adam algorithm that allows for overlapping communications and computations, prove its convergence, and propose an accumulation technique to mitigate the high variance caused by small local batch sizes. We deploy the proposed approach in clusters with up to 64 GPUs and demonstrate its practicality and advantages in both runtime and generalization performance under a fixed iteration budget.

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis.

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

Multivariate time series forecasting is an important machine learning problem across many domains, including predictions of solar plant energy output, electricity consumption, and traffic jam situation. Temporal data arise in these real-world applications often involves a mixture of long-term and short-term patterns, for which traditional approaches such as Autoregressive models and Gaussian Process may fail. In this paper, we proposed a novel deep learning framework, namely Long- and Short-term Time-series network (LSTNet), to address this open challenge. LSTNet uses the Convolution Neural Network (CNN) and the Recurrent Neural Network (RNN) to extract short-term local dependency patterns among variables and to discover long-term patterns for time series trends. Furthermore, we leverage traditional autoregressive model to tackle the scale insensitive problem of the neural network model. In our evaluation on real-world data with complex mixtures of repetitive patterns, LSTNet achieved significant performance improvements over that of several state-of-the-art baseline methods. All the data and experiment codes are available online.

Neural network pruning techniques can reduce the parameter counts of trained networks by over 90%, decreasing storage requirements and improving computational performance of inference without compromising accuracy. However, contemporary experience is that the sparse architectures produced by pruning are difficult to train from the start, which would similarly improve training performance. We find that a standard pruning technique naturally uncovers subnetworks whose initializations made them capable of training effectively. Based on these results, we articulate the "lottery ticket hypothesis:" dense, randomly-initialized, feed-forward networks contain subnetworks ("winning tickets") that - when trained in isolation - reach test accuracy comparable to the original network in a similar number of iterations. The winning tickets we find have won the initialization lottery: their connections have initial weights that make training particularly effective. We present an algorithm to identify winning tickets and a series of experiments that support the lottery ticket hypothesis and the importance of these fortuitous initializations. We consistently find winning tickets that are less than 10-20% of the size of several fully-connected and convolutional feed-forward architectures for MNIST and CIFAR10. Above this size, the winning tickets that we find learn faster than the original network and reach higher test accuracy.

Multilingual machine translation suffers from negative interference across languages. A common solution is to relax parameter sharing with language-specific modules like adapters. However, adapters of related languages are unable to transfer information, and their total number of parameters becomes prohibitively expensive as the number of languages grows. In this work, we overcome these drawbacks using hyper-adapters -- hyper-networks that generate adapters from language and layer embeddings. While past work had poor results when scaling hyper-networks, we propose a rescaling fix that significantly improves convergence and enables training larger hyper-networks. We find that hyper-adapters are more parameter efficient than regular adapters, reaching the same performance with up to 12 times less parameters. When using the same number of parameters and FLOPS, our approach consistently outperforms regular adapters. Also, hyper-adapters converge faster than alternative approaches and scale better than regular dense networks. Our analysis shows that hyper-adapters learn to encode language relatedness, enabling positive transfer across languages.

Graph convolutional neural networks have recently shown great potential for the task of zero-shot learning. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, multi-layer architectures, which are required to propagate knowledge to distant nodes in the graph, dilute the knowledge by performing extensive Laplacian smoothing at each layer and thereby consequently decrease performance. In order to still enjoy the benefit brought by the graph structure while preventing dilution of knowledge from distant nodes, we propose a Dense Graph Propagation (DGP) module with carefully designed direct links among distant nodes. DGP allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants. A weighting scheme is further used to weigh their contribution depending on the distance to the node to improve information propagation in the graph. Combined with finetuning of the representations in a two-stage training approach our method outperforms state-of-the-art zero-shot learning approaches.

Large-scale AI model training divides work across thousands of GPUs, then synchronizes gradients across them at each step. This incurs a significant network burden that only centralized, monolithic clusters can support, driving up infrastructure costs and straining power systems. We propose Decentralized Diffusion Models, a scalable framework for distributing diffusion model training across independent clusters or datacenters by eliminating the dependence on a centralized, high-bandwidth networking fabric. Our method trains a set of expert diffusion models over partitions of the dataset, each in full isolation from one another. At inference time, the experts ensemble through a lightweight router. We show that the ensemble collectively optimizes the same objective as a single model trained over the whole dataset. This means we can divide the training burden among a number of "compute islands," lowering infrastructure costs and improving resilience to localized GPU failures. Decentralized diffusion models empower researchers to take advantage of smaller, more cost-effective and more readily available compute like on-demand GPU nodes rather than central integrated systems. We conduct extensive experiments on ImageNet and LAION Aesthetics, showing that decentralized diffusion models FLOP-for-FLOP outperform standard diffusion models. We finally scale our approach to 24 billion parameters, demonstrating that high-quality diffusion models can now be trained with just eight individual GPU nodes in less than a week.

Graphs have often been used to answer questions about the interaction between real-world entities by taking advantage of their capacity to represent complex topologies. Complex networks are known to be graphs that capture such non-trivial topologies; they are able to represent human phenomena such as epidemic processes, the dynamics of populations, and the urbanization of cities. The investigation of complex networks has been extrapolated to many fields of science, with particular emphasis on computing techniques, including artificial intelligence. In such a case, the analysis of the interaction between entities of interest is transposed to the internal learning of algorithms, a paradigm whose investigation is able to expand the state of the art in Computer Science. By exploring this paradigm, this thesis puts together complex networks and machine learning techniques to improve the understanding of the human phenomena observed in pandemics, pendular migration, and street networks. Accordingly, we contribute with: (i) a new neural network architecture capable of modeling dynamic processes observed in spatial and temporal data with applications in epidemics propagation, weather forecasting, and patient monitoring in intensive care units; (ii) a machine-learning methodology for analyzing and predicting links in the scope of human mobility between all the cities of Brazil; and, (iii) techniques for identifying inconsistencies in the urban planning of cities while tracking the most influential vertices, with applications over Brazilian and worldwide cities. We obtained results sustained by sound evidence of advances to the state of the art in artificial intelligence, rigorous formalisms, and ample experimentation. Our findings rely upon real-world applications in a range of domains, demonstrating the applicability of our methodologies.

We present the next generation of MobileNets based on a combination of complementary search techniques as well as a novel architecture design. MobileNetV3 is tuned to mobile phone CPUs through a combination of hardware-aware network architecture search (NAS) complemented by the NetAdapt algorithm and then subsequently improved through novel architecture advances. This paper starts the exploration of how automated search algorithms and network design can work together to harness complementary approaches improving the overall state of the art. Through this process we create two new MobileNet models for release: MobileNetV3-Large and MobileNetV3-Small which are targeted for high and low resource use cases. These models are then adapted and applied to the tasks of object detection and semantic segmentation. For the task of semantic segmentation (or any dense pixel prediction), we propose a new efficient segmentation decoder Lite Reduced Atrous Spatial Pyramid Pooling (LR-ASPP). We achieve new state of the art results for mobile classification, detection and segmentation. MobileNetV3-Large is 3.2\% more accurate on ImageNet classification while reducing latency by 15\% compared to MobileNetV2. MobileNetV3-Small is 4.6\% more accurate while reducing latency by 5\% compared to MobileNetV2. MobileNetV3-Large detection is 25\% faster at roughly the same accuracy as MobileNetV2 on COCO detection. MobileNetV3-Large LR-ASPP is 30\% faster than MobileNetV2 R-ASPP at similar accuracy for Cityscapes segmentation.

Developing generalizable ML-based solutions for disparate learning problems in network security is highly desired. However, despite a rich history of applying ML to network security, most existing solutions lack generalizability. This lack of progress can be attributed to an overreliance on supervised learning techniques and the associated challenges of curating well-specified labeled training data. This paper addresses a fundamental gap by introducing a novel transformer-based network foundation model, netFound. We employ self-supervised learning techniques on abundant, unlabeled network telemetry data for pre-training. This pretrained model can subsequently be fine-tuned to create generalizable learning artifacts for disparate learning tasks, even when using commonly available but challenging labeled datasets that are sparse, noisy, and skewed. To realize this goal, netFound leverages various domain-specific attributes and constraints unique to network data (packet traces) by developing multi-modal embeddings, protocol-aware tokenization, data-driven token composition, and hierarchical transformers. Our results demonstrate that netFound's domain-specific design choices ensure that it (1) effectively captures the hidden networking context in production settings, (2) outperforms four different SOTA methods on five different learning tasks, and (3) is robust to both noisy labels and learning shortcuts -- critical for developing generalizable ML models in practical settings.

Recent research, such as BitNet, is paving the way for a new era of 1-bit Large Language Models (LLMs). In this work, we introduce a 1-bit LLM variant, namely BitNet b1.58, in which every single parameter (or weight) of the LLM is ternary {-1, 0, 1}. It matches the full-precision (i.e., FP16 or BF16) Transformer LLM with the same model size and training tokens in terms of both perplexity and end-task performance, while being significantly more cost-effective in terms of latency, memory, throughput, and energy consumption. More profoundly, the 1.58-bit LLM defines a new scaling law and recipe for training new generations of LLMs that are both high-performance and cost-effective. Furthermore, it enables a new computation paradigm and opens the door for designing specific hardware optimized for 1-bit LLMs.

Fine-tuning large pre-trained models on downstream tasks has been adopted in a variety of domains recently. However, it is costly to update the entire parameter set of large pre-trained models. Although recently proposed parameter-efficient transfer learning (PETL) techniques allow updating a small subset of parameters (e.g. only using 2% of parameters) inside a pre-trained backbone network for a new task, they only reduce the training memory requirement by up to 30%. This is because the gradient computation for the trainable parameters still requires backpropagation through the large pre-trained backbone model. To address this, we propose Ladder Side-Tuning (LST), a new PETL technique that can reduce training memory requirements by more substantial amounts. Unlike existing parameter-efficient methods that insert additional parameters inside backbone networks, we train a ladder side network, a small and separate network that takes intermediate activations as input via shortcut connections (called ladders) from backbone networks and makes predictions. LST has significantly lower memory requirements than previous methods, because it does not require backpropagation through the backbone network, but instead only through the side network and ladder connections. We evaluate our method with various models (T5 and CLIP-T5) on both NLP (GLUE) and vision-and-language (VQA, GQA, NLVR2 , MSCOCO) tasks. LST saves 69% of the memory costs to fine-tune the whole network, while other methods only save 26% of that in similar parameter usages (hence, 2.7x more memory savings). Moreover, LST achieves higher accuracy than Adapter and LoRA in a low-memory regime. To further show the advantage of this better memory efficiency, we also apply LST to larger T5 models, attaining better GLUE performance than full fine-tuning and other PETL methods. The accuracy-efficiency trade-off also holds on VL tasks.

We study the problem of learning a single neuron with respect to the L_2^2-loss in the presence of adversarial label noise. We give an efficient algorithm that, for a broad family of activations including ReLUs, approximates the optimal L_2^2-error within a constant factor. Our algorithm applies under much milder distributional assumptions compared to prior work. The key ingredient enabling our results is a novel connection to local error bounds from optimization theory.

Latent Graph Inference (LGI) relaxed the reliance of Graph Neural Networks (GNNs) on a given graph topology by dynamically learning it. However, most of LGI methods assume to have a (noisy, incomplete, improvable, ...) input graph to rewire and can solely learn regular graph topologies. In the wake of the success of Topological Deep Learning (TDL), we study Latent Topology Inference (LTI) for learning higher-order cell complexes (with sparse and not regular topology) describing multi-way interactions between data points. To this aim, we introduce the Differentiable Cell Complex Module (DCM), a novel learnable function that computes cell probabilities in the complex to improve the downstream task. We show how to integrate DCM with cell complex message passing networks layers and train it in a end-to-end fashion, thanks to a two-step inference procedure that avoids an exhaustive search across all possible cells in the input, thus maintaining scalability. Our model is tested on several homophilic and heterophilic graph datasets and it is shown to outperform other state-of-the-art techniques, offering significant improvements especially in cases where an input graph is not provided.

The natural world is full of complex systems characterized by intricate relations between their components: from social interactions between individuals in a social network to electrostatic interactions between atoms in a protein. Topological Deep Learning (TDL) provides a comprehensive framework to process and extract knowledge from data associated with these systems, such as predicting the social community to which an individual belongs or predicting whether a protein can be a reasonable target for drug development. TDL has demonstrated theoretical and practical advantages that hold the promise of breaking ground in the applied sciences and beyond. However, the rapid growth of the TDL literature has also led to a lack of unification in notation and language across Topological Neural Network (TNN) architectures. This presents a real obstacle for building upon existing works and for deploying TNNs to new real-world problems. To address this issue, we provide an accessible introduction to TDL, and compare the recently published TNNs using a unified mathematical and graphical notation. Through an intuitive and critical review of the emerging field of TDL, we extract valuable insights into current challenges and exciting opportunities for future development.

Neural architecture search (NAS) has demonstrated amazing success in searching for efficient deep neural networks (DNNs) from a given supernet. In parallel, the lottery ticket hypothesis has shown that DNNs contain small subnetworks that can be trained from scratch to achieve a comparable or higher accuracy than original DNNs. As such, it is currently a common practice to develop efficient DNNs via a pipeline of first search and then prune. Nevertheless, doing so often requires a search-train-prune-retrain process and thus prohibitive computational cost. In this paper, we discover for the first time that both efficient DNNs and their lottery subnetworks (i.e., lottery tickets) can be directly identified from a supernet, which we term as SuperTickets, via a two-in-one training scheme with jointly architecture searching and parameter pruning. Moreover, we develop a progressive and unified SuperTickets identification strategy that allows the connectivity of subnetworks to change during supernet training, achieving better accuracy and efficiency trade-offs than conventional sparse training. Finally, we evaluate whether such identified SuperTickets drawn from one task can transfer well to other tasks, validating their potential of handling multiple tasks simultaneously. Extensive experiments and ablation studies on three tasks and four benchmark datasets validate that our proposed SuperTickets achieve boosted accuracy and efficiency trade-offs than both typical NAS and pruning pipelines, regardless of having retraining or not. Codes and pretrained models are available at https://github.com/RICE-EIC/SuperTickets.

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on many subgraphs. In this paper, we consider the problem of learning to select a small subset of the large set of possible subgraphs in a data-driven fashion. We first motivate the problem by proving that there are families of WL-indistinguishable graphs for which there exist efficient subgraph selection policies: small subsets of subgraphs that can already identify all the graphs within the family. We then propose a new approach, called Policy-Learn, that learns how to select subgraphs in an iterative manner. We prove that, unlike popular random policies and prior work addressing the same problem, our architecture is able to learn the efficient policies mentioned above. Our experimental results demonstrate that Policy-Learn outperforms existing baselines across a wide range of datasets.

Scaling up neural networks has led to remarkable performance across a wide range of tasks. Moreover, performance often follows reliable scaling laws as a function of training set size, model size, and compute, which offers valuable guidance as large-scale experiments are becoming increasingly expensive. However, previous work on scaling laws has primarily used private data \& models or focused on uni-modal language or vision learning. To address these limitations, we investigate scaling laws for contrastive language-image pre-training (CLIP) with the public LAION dataset and the open-source OpenCLIP repository. Our large-scale experiments involve models trained on up to two billion image-text pairs and identify power law scaling for multiple downstream tasks including zero-shot classification, retrieval, linear probing, and end-to-end fine-tuning. We find that the training distribution plays a key role in scaling laws as the OpenAI and OpenCLIP models exhibit different scaling behavior despite identical model architectures and similar training recipes. We open-source our evaluation workflow and all models, including the largest public CLIP models, to ensure reproducibility and make scaling laws research more accessible. Source code and instructions to reproduce this study will be available at https://github.com/LAION-AI/scaling-laws-openclip

Pretraining a neural network on a large dataset is becoming a cornerstone in machine learning that is within the reach of only a few communities with large-resources. We aim at an ambitious goal of democratizing pretraining. Towards that goal, we train and release a single neural network that can predict high quality ImageNet parameters of other neural networks. By using predicted parameters for initialization we are able to boost training of diverse ImageNet models available in PyTorch. When transferred to other datasets, models initialized with predicted parameters also converge faster and reach competitive final performance.

Discriminative self-supervised learning allows training models on any random group of internet images, and possibly recover salient information that helps differentiate between the images. Applied to ImageNet, this leads to object centric features that perform on par with supervised features on most object-centric downstream tasks. In this work, we question if using this ability, we can learn any salient and more representative information present in diverse unbounded set of images from across the globe. To do so, we train models on billions of random images without any data pre-processing or prior assumptions about what we want the model to learn. We scale our model size to dense 10 billion parameters to avoid underfitting on a large data size. We extensively study and validate our model performance on over 50 benchmarks including fairness, robustness to distribution shift, geographical diversity, fine grained recognition, image copy detection and many image classification datasets. The resulting model, not only captures well semantic information, it also captures information about artistic style and learns salient information such as geolocations and multilingual word embeddings based on visual content only. More importantly, we discover that such model is more robust, more fair, less harmful and less biased than supervised models or models trained on object centric datasets such as ImageNet.

In the current cybersecurity landscape, protecting military devices such as communication and battlefield management systems against sophisticated cyber attacks is crucial. Malware exploits vulnerabilities through stealth methods, often evading traditional detection mechanisms such as software signatures. The application of ML/DL in vulnerability detection has been extensively explored in the literature. However, current ML/DL vulnerability detection methods struggle with understanding the context and intent behind complex attacks. Integrating large language models (LLMs) with system call analysis offers a promising approach to enhance malware detection. This work presents a novel framework leveraging LLMs to classify malware based on system call data. The framework uses transfer learning to adapt pre-trained LLMs for malware detection. By retraining LLMs on a dataset of benign and malicious system calls, the models are refined to detect signs of malware activity. Experiments with a dataset of over 1TB of system calls demonstrate that models with larger context sizes, such as BigBird and Longformer, achieve superior accuracy and F1-Score of approximately 0.86. The results highlight the importance of context size in improving detection rates and underscore the trade-offs between computational complexity and performance. This approach shows significant potential for real-time detection in high-stakes environments, offering a robust solution to evolving cyber threats.

Developing neural network image classification models often requires significant architecture engineering. In this paper, we study a method to learn the model architectures directly on the dataset of interest. As this approach is expensive when the dataset is large, we propose to search for an architectural building block on a small dataset and then transfer the block to a larger dataset. The key contribution of this work is the design of a new search space (the "NASNet search space") which enables transferability. In our experiments, we search for the best convolutional layer (or "cell") on the CIFAR-10 dataset and then apply this cell to the ImageNet dataset by stacking together more copies of this cell, each with their own parameters to design a convolutional architecture, named "NASNet architecture". We also introduce a new regularization technique called ScheduledDropPath that significantly improves generalization in the NASNet models. On CIFAR-10 itself, NASNet achieves 2.4% error rate, which is state-of-the-art. On ImageNet, NASNet achieves, among the published works, state-of-the-art accuracy of 82.7% top-1 and 96.2% top-5 on ImageNet. Our model is 1.2% better in top-1 accuracy than the best human-invented architectures while having 9 billion fewer FLOPS - a reduction of 28% in computational demand from the previous state-of-the-art model. When evaluated at different levels of computational cost, accuracies of NASNets exceed those of the state-of-the-art human-designed models. For instance, a small version of NASNet also achieves 74% top-1 accuracy, which is 3.1% better than equivalently-sized, state-of-the-art models for mobile platforms. Finally, the learned features by NASNet used with the Faster-RCNN framework surpass state-of-the-art by 4.0% achieving 43.1% mAP on the COCO dataset.

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.

Neural collapse (NC) is a phenomenon observed in classification tasks where top-layer representations collapse into their class means, which become equinorm, equiangular and aligned with the classifiers. These behaviors -- associated with generalization and robustness -- would manifest under specific conditions: models are trained towards zero loss, with noise-free labels belonging to balanced classes, which do not outnumber the model's hidden dimension. Recent studies have explored NC in the absence of one or more of these conditions to extend and capitalize on the associated benefits of ideal geometries. Language modeling presents a curious frontier, as training by token prediction constitutes a classification task where none of the conditions exist: the vocabulary is imbalanced and exceeds the embedding dimension; different tokens might correspond to similar contextual embeddings; and large language models (LLMs) in particular are typically only trained for a few epochs. This paper empirically investigates the impact of scaling the architectures and training of causal language models (CLMs) on their progression towards NC. We find that NC properties that develop with scaling are linked to generalization. Moreover, there is evidence of some relationship between NC and generalization independent of scale. Our work therefore underscores the generality of NC as it extends to the novel and more challenging setting of language modeling. Downstream, we seek to inspire further research on the phenomenon to deepen our understanding of LLMs -- and neural networks at large -- and improve existing architectures based on NC-related properties.

We develop a set of methods to improve on the results of self-supervised learning using context. We start with a baseline of patch based arrangement context learning and go from there. Our methods address some overt problems such as chromatic aberration as well as other potential problems such as spatial skew and mid-level feature neglect. We prevent problems with testing generalization on common self-supervised benchmark tests by using different datasets during our development. The results of our methods combined yield top scores on all standard self-supervised benchmarks, including classification and detection on PASCAL VOC 2007, segmentation on PASCAL VOC 2012, and "linear tests" on the ImageNet and CSAIL Places datasets. We obtain an improvement over our baseline method of between 4.0 to 7.1 percentage points on transfer learning classification tests. We also show results on different standard network architectures to demonstrate generalization as well as portability. All data, models and programs are available at: https://gdo-datasci.llnl.gov/selfsupervised/.

Averaging neural network parameters is an intuitive method for fusing the knowledge of two independent models. It is most prominently used in federated learning. If models are averaged at the end of training, this can only lead to a good performing model if the loss surface of interest is very particular, i.e., the loss in the midpoint between the two models needs to be sufficiently low. This is impossible to guarantee for the non-convex losses of state-of-the-art networks. For averaging models trained on vastly different datasets, it was proposed to average only the parameters of particular layers or combinations of layers, resulting in better performing models. To get a better understanding of the effect of layer-wise averaging, we analyse the performance of the models that result from averaging single layers, or groups of layers. Based on our empirical and theoretical investigation, we introduce a novel notion of the layer-wise linear connectivity, and show that deep networks do not have layer-wise barriers between them.

We propose DoReFa-Net, a method to train convolutional neural networks that have low bitwidth weights and activations using low bitwidth parameter gradients. In particular, during backward pass, parameter gradients are stochastically quantized to low bitwidth numbers before being propagated to convolutional layers. As convolutions during forward/backward passes can now operate on low bitwidth weights and activations/gradients respectively, DoReFa-Net can use bit convolution kernels to accelerate both training and inference. Moreover, as bit convolutions can be efficiently implemented on CPU, FPGA, ASIC and GPU, DoReFa-Net opens the way to accelerate training of low bitwidth neural network on these hardware. Our experiments on SVHN and ImageNet datasets prove that DoReFa-Net can achieve comparable prediction accuracy as 32-bit counterparts. For example, a DoReFa-Net derived from AlexNet that has 1-bit weights, 2-bit activations, can be trained from scratch using 6-bit gradients to get 46.1\% top-1 accuracy on ImageNet validation set. The DoReFa-Net AlexNet model is released publicly.

Mechanistic interpretability aims to understand the behavior of neural networks by reverse-engineering their internal computations. However, current methods struggle to find clear interpretations of neural network activations because a decomposition of activations into computational features is missing. Individual neurons or model components do not cleanly correspond to distinct features or functions. We present a novel interpretability method that aims to overcome this limitation by transforming the activations of the network into a new basis - the Local Interaction Basis (LIB). LIB aims to identify computational features by removing irrelevant activations and interactions. Our method drops irrelevant activation directions and aligns the basis with the singular vectors of the Jacobian matrix between adjacent layers. It also scales features based on their importance for downstream computation, producing an interaction graph that shows all computationally-relevant features and interactions in a model. We evaluate the effectiveness of LIB on modular addition and CIFAR-10 models, finding that it identifies more computationally-relevant features that interact more sparsely, compared to principal component analysis. However, LIB does not yield substantial improvements in interpretability or interaction sparsity when applied to language models. We conclude that LIB is a promising theory-driven approach for analyzing neural networks, but in its current form is not applicable to large language models.

Traffic prediction is essential for the progression of Intelligent Transportation Systems (ITS) and the vision of smart cities. While Spatial-Temporal Graph Neural Networks (STGNNs) have shown promise in this domain by leveraging Graph Neural Networks (GNNs) integrated with either RNNs or Transformers, they present challenges such as computational complexity, gradient issues, and resource-intensiveness. This paper addresses these challenges, advocating for three main solutions: a node-embedding approach, time series decomposition, and periodicity learning. We introduce STLinear, a minimalist model architecture designed for optimized efficiency and performance. Unlike traditional STGNNs, STlinear operates fully locally, avoiding inter-node data exchanges, and relies exclusively on linear layers, drastically cutting computational demands. Our empirical studies on real-world datasets confirm STLinear's prowess, matching or exceeding the accuracy of leading STGNNs, but with significantly reduced complexity and computation overhead (more than 95% reduction in MACs per epoch compared to state-of-the-art STGNN baseline published in 2023). In summary, STLinear emerges as a potent, efficient alternative to conventional STGNNs, with profound implications for the future of ITS and smart city initiatives.

Large language models (LLMs) have made remarkable advances in recent years, with scaling laws playing a critical role in this rapid progress. In this paper, we empirically investigate how a critical hyper-parameter, i.e., the global batch size, influences the LLM training prdocess. We begin by training language models ranging from 125 million to 2.6 billion parameters, using up to 300 billion high-quality tokens. Through these experiments, we establish a basic scaling law on model size and training data amount. We then examine how varying batch sizes and learning rates affect the convergence and generalization of these models. Our analysis yields batch size scaling laws under two different cases: with a fixed compute budget, and with a fixed amount of training data. Extrapolation experiments on models of increasing sizes validate our predicted laws, which provides guidance for optimizing LLM training strategies under specific resource constraints.

A myriad of recent breakthroughs in hand-crafted neural architectures for visual recognition have highlighted the urgent need to explore hybrid architectures consisting of diversified building blocks. Meanwhile, neural architecture search methods are surging with an expectation to reduce human efforts. However, whether NAS methods can efficiently and effectively handle diversified search spaces with disparate candidates (e.g. CNNs and transformers) is still an open question. In this work, we present Block-wisely Self-supervised Neural Architecture Search (BossNAS), an unsupervised NAS method that addresses the problem of inaccurate architecture rating caused by large weight-sharing space and biased supervision in previous methods. More specifically, we factorize the search space into blocks and utilize a novel self-supervised training scheme, named ensemble bootstrapping, to train each block separately before searching them as a whole towards the population center. Additionally, we present HyTra search space, a fabric-like hybrid CNN-transformer search space with searchable down-sampling positions. On this challenging search space, our searched model, BossNet-T, achieves up to 82.5% accuracy on ImageNet, surpassing EfficientNet by 2.4% with comparable compute time. Moreover, our method achieves superior architecture rating accuracy with 0.78 and 0.76 Spearman correlation on the canonical MBConv search space with ImageNet and on NATS-Bench size search space with CIFAR-100, respectively, surpassing state-of-the-art NAS methods. Code: https://github.com/changlin31/BossNAS

The deep neural networks used in modern computer vision systems require enormous image datasets to train them. These carefully-curated datasets typically have a million or more images, across a thousand or more distinct categories. The process of creating and curating such a dataset is a monumental undertaking, demanding extensive effort and labelling expense and necessitating careful navigation of technical and social issues such as label accuracy, copyright ownership, and content bias. What if we had a way to harness the power of large image datasets but with few or none of the major issues and concerns currently faced? This paper extends the recent work of Kataoka et. al. (2020), proposing an improved pre-training dataset based on dynamically-generated fractal images. Challenging issues with large-scale image datasets become points of elegance for fractal pre-training: perfect label accuracy at zero cost; no need to store/transmit large image archives; no privacy/demographic bias/concerns of inappropriate content, as no humans are pictured; limitless supply and diversity of images; and the images are free/open-source. Perhaps surprisingly, avoiding these difficulties imposes only a small penalty in performance. Leveraging a newly-proposed pre-training task -- multi-instance prediction -- our experiments demonstrate that fine-tuning a network pre-trained using fractals attains 92.7-98.1% of the accuracy of an ImageNet pre-trained network.

With the growth of model sizes and the scale of their deployment, their sheer size burdens the infrastructure requiring more network and more storage to accommodate these. While there is a vast model compression literature deleting parts of the model weights for faster inference, we investigate a more traditional type of compression - one that represents the model in a compact form and is coupled with a decompression algorithm that returns it to its original form and size - namely lossless compression. We present ZipNN a lossless compression tailored to neural networks. Somewhat surprisingly, we show that specific lossless compression can gain significant network and storage reduction on popular models, often saving 33% and at times reducing over 50% of the model size. We investigate the source of model compressibility and introduce specialized compression variants tailored for models that further increase the effectiveness of compression. On popular models (e.g. Llama 3) ZipNN shows space savings that are over 17% better than vanilla compression while also improving compression and decompression speeds by 62%. We estimate that these methods could save over an ExaByte per month of network traffic downloaded from a large model hub like Hugging Face.

Training state-of-the-art neural networks requires a high cost in terms of compute and time. Model scale is recognized to be a critical factor to achieve and improve the state-of-the-art. Increasing the scale of a neural network normally requires restarting from scratch by randomly initializing all the parameters of the model, as this implies a change of architecture's parameters that does not allow for a straightforward transfer of knowledge from smaller size models. In this work, we propose six composable transformations to incrementally increase the size of transformer-based neural networks while preserving functionality, allowing to expand the capacity of the model as needed. We provide proof of exact function preservation under minimal initialization constraints for each transformation. The proposed methods may enable efficient training pipelines for larger and more powerful models by progressively expanding the architecture throughout training.