OpenRaiser/Intern-Atlas huggingface dataset:
Advancing Training Efficiency of Deep Spiking Neural Networks through Rate-based Backpropagation
Venue: Conference NeurIPS 2024
Year: 2024

Recent insights have revealed that rate-coding is a primary form of information representation captured by surrogate-gradient-based Backpropagation Through Time (BPTT) in training deep Spiking Neural Networks (SNNs). Motivated by these findings, we propose rate-based backpropagation, a training strategy specifically designed to exploit rate-based representations to reduce the complexity of BPTT. Our method minimizes reliance on detailed temporal derivatives by focusing on averaged dynamics, streamlining the computational graph to reduce memory and computational demands of SNNs training. We substantiate the rationality of the gradient approximation between BPTT and the proposed method through both theoretical analysis and empirical observations. Comprehensive experiments on CIFAR-10, CIFAR-100, ImageNet, and CIFAR10-DVS validate that our method achieves comparable performance to BPTT counterparts, and surpasses state-of-the-art efficient training techniques. By leveraging the inherent benefits of rate-coding, this work sets the stage for more scalable and efficient SNNs training within resource-constrained environments. Our code is available at https://github.com/Tab-ct/rate-based-backpropagation.
A Neuro-Symbolic Benchmark Suite for Concept Quality and Reasoning Shortcuts
Venue: Conference NeurIPS 2024
Year: 2024

The advent of powerful neural classifiers has increased interest in problems that require both learning and reasoning. These problems are critical for understanding important properties of models, such as trustworthiness, generalization, interpretability, and compliance to safety and structural constraints. However, recent research observed that tasks requiring both learning and reasoning on background knowledge often suffer from reasoning shortcuts (RSs): predictors can solve the downstream reasoning task without associating the correct concepts to the high-dimensional data. To address this issue, we introduce rsbench, a comprehensive benchmark suite designed to systematically evaluate the impact of RSs on models by providing easy access to highly customizable tasks affected by RSs. Furthermore, rsbench implements common metrics for evaluating concept quality and introduces novel formal verification procedures for assessing the presence of RSs in learning tasks. Using rsbench, we highlight that obtaining high quality concepts in both purely neural and neuro-symbolic models is a far-from-solved problem. rsbench is available at: https://unitn-sml.github.io/rsbench.
Provable Benefits of Complex Parameterizations for Structured State Space Models
Venue: Conference NeurIPS 2024
Year: 2024

Structured state space models (SSMs), the core engine behind prominent neural networks such as S4 and Mamba, are linear dynamical systems adhering to a specified structure, most notably diagonal. In contrast to typical neural network modules, whose parameterizations are real, SSMs often use complex parameterizations. Theoretically explaining the benefits of complex parameterizations for SSMs is an open problem. The current paper takes a step towards its resolution, by establishing formal gaps between real and complex diagonal SSMs. Firstly, we prove that while a moderate dimension suffices in order for a complex SSM to express all mappings of a real SSM, a much higher dimension is needed for a real SSM to express mappings of a complex SSM. Secondly, we prove that even if the dimension of a real SSM is high enough to express a given mapping, typically, doing so requires the parameters of the real SSM to hold exponentially large values, which cannot be learned in practice. In contrast, a complex SSM can express any given mapping with moderate parameter values. Experiments corroborate our theory, and suggest a potential extension of the theory that accounts for selectivity, a new architectural feature yielding state of the art performance.
WONDERBREAD: A Benchmark for Evaluating Multimodal Foundation Models on Business Process Management Tasks
Venue: Conference NeurIPS 2024
Year: 2024

Existing ML benchmarks lack the depth and diversity of annotations needed for evaluating models on business process management (BPM) tasks. BPM is the practice of documenting, measuring, improving, and automating enterprise workflows. However, research has focused almost exclusively on one task - full end-to-end automation using agents based on multimodal foundation models (FMs) like GPT-4. This focus on automation ignores the reality of how most BPM tools are applied today - simply documenting the relevant workflow takes 60% of the time of the typical process optimization project. To address this gap we present WONDERBREAD, the first benchmark for evaluating multimodal FMs on BPM tasks beyond automation. Our contributions are: (1) a dataset containing 2928 documented workflow demonstrations; (2) 6 novel BPM tasks sourced from real-world applications ranging from workflow documentation to knowledge transfer to process improvement; and (3) an automated evaluation harness. Our benchmark shows that while state-of-the-art FMs can automatically generate documentation (e.g. recalling 88% of the steps taken in a video demonstration of a workflow), they struggle to re-apply that knowledge towards finer-grained validation of workflow completion (F1 < 0.3). We hope WONDERBREAD encourages the development of more "human-centered" AI tooling for enterprise applications and furthers the exploration of multimodal FMs for the broader universe of BPM tasks. We publish our dataset and experiments here: https://github.com/HazyResearch/wonderbread
Testing Calibration in Nearly-Linear Time
Venue: Conference NeurIPS 2024
Year: 2024

In the recent literature on machine learning and decision making, calibration has emerged as a desirable and widely-studied statistical property of the outputs of binary prediction models. However, the algorithmic aspects of measuring model calibration have remained relatively less well-explored. Motivated by [BGHN23], which proposed a rigorous framework for measuring distances to calibration, we initiate the algorithmic study of calibration through the lens of property testing. We define the problem of calibration testing from samples where given $n$ draws from a distribution $\mathcal{D}$ on $(predictions, binary outcomes)$, our goal is to distinguish between the case where $\mathcal{D}$ is perfectly calibrated, and the case where $\mathcal{D}$ is $\varepsilon$-far from calibration. We make the simple observation that the empirical smooth calibration linear program can be reformulated as an instance of minimum-cost flow on a highly-structured graph, and design an exact dynamic programming-based solver for it which runs in time $O(n\log^2(n))$, and solves the calibration testing problem information-theoretically optimally in the same time. This improves upon state-of-the-art black-box linear program solvers requiring $Ω(n^ω)$ time, where $ω> 2$ is the exponent of matrix multiplication. We also develop algorithms for tolerant variants of our testing problem improving upon black-box linear program solvers, and give sample complexity lower bounds for alternative calibration measures to the one considered in this work. Finally, we present experiments showing the testing problem we define faithfully captures standard notions of calibration, and that our algorithms scale efficiently to accommodate large sample sizes.
Towards Flexible 3D Perception: Object-Centric Occupancy Completion Augments 3D Object Detection
Venue: Conference NeurIPS 2024
Year: 2024

While 3D object bounding box (bbox) representation has been widely used in autonomous driving perception, it lacks the ability to capture the precise details of an object's intrinsic geometry. Recently, occupancy has emerged as a promising alternative for 3D scene perception. However, constructing a high-resolution occupancy map remains infeasible for large scenes due to computational constraints. Recognizing that foreground objects only occupy a small portion of the scene, we introduce object-centric occupancy as a supplement to object bboxes. This representation not only provides intricate details for detected objects but also enables higher voxel resolution in practical applications. We advance the development of object-centric occupancy perception from both data and algorithm perspectives. On the data side, we construct the first object-centric occupancy dataset from scratch using an automated pipeline. From the algorithmic standpoint, we introduce a novel object-centric occupancy completion network equipped with an implicit shape decoder that manages dynamic-size occupancy generation. This network accurately predicts the complete object-centric occupancy volume for inaccurate object proposals by leveraging temporal information from long sequences. Our method demonstrates robust performance in completing object shapes under noisy detection and tracking conditions. Additionally, we show that our occupancy features significantly enhance the detection results of state-of-the-art 3D object detectors, especially for incomplete or distant objects in the Waymo Open Dataset.
Jointly Modeling Inter- & Intra-Modality Dependencies for Multi-modal Learning
Venue: Conference NeurIPS 2024
Year: 2024

Supervised multi-modal learning involves mapping multiple modalities to a target label. Previous studies in this field have concentrated on capturing in isolation either the inter-modality dependencies (the relationships between different modalities and the label) or the intra-modality dependencies (the relationships within a single modality and the label). We argue that these conventional approaches that rely solely on either inter- or intra-modality dependencies may not be optimal in general. We view the multi-modal learning problem from the lens of generative models where we consider the target as a source of multiple modalities and the interaction between them. Towards that end, we propose inter- & intra-modality modeling (I2M2) framework, which captures and integrates both the inter- and intra-modality dependencies, leading to more accurate predictions. We evaluate our approach using real-world healthcare and vision-and-language datasets with state-of-the-art models, demonstrating superior performance over traditional methods focusing only on one type of modality dependency.
You Don’t Need Domain-Specific Data Augmentations When Scaling Self-Supervised Learning
Venue: Conference NeurIPS 2024
Year: 2024

Self-Supervised learning (SSL) with Joint-Embedding Architectures (JEA) has led to outstanding performances. All instantiations of this paradigm were trained using strong and well-established hand-crafted data augmentations, leading to the general belief that they are required for the proper training and performance of such models. On the other hand, generative reconstruction-based models such as BEIT and MAE or Joint-Embedding Predictive Architectures such as I-JEPA have shown strong performance without using data augmentations except masking. In this work, we challenge the importance of invariance and data-augmentation in JEAs at scale. By running a case-study on a recent SSL foundation model - DINOv2 - we show that strong image representations can be obtained with JEAs and only cropping without resizing provided the training data is large enough, reaching state-of-the-art results and using the least amount of augmentation in the literature. Through this study, we also discuss the impact of compute constraints on the outcomes of experimental deep learning research, showing that they can lead to very different conclusions.
A SARS-CoV-2 Interaction Dataset and VHH Sequence Corpus for Antibody Language Models
Venue: Conference NeurIPS 2024
Year: 2024

Antibodies are crucial proteins produced by the immune system to eliminate harmful foreign substances and have become pivotal therapeutic agents for treating human diseases. To accelerate the discovery of antibody therapeutics, there is growing interest in constructing language models using antibody sequences. However, the applicability of pre-trained language models for antibody discovery has not been thoroughly evaluated due to the scarcity of labeled datasets. To overcome these limitations, we introduce AVIDa-SARS-CoV-2, a dataset featuring the antigen-variable domain of heavy chain of heavy chain antibody (VHH) interactions obtained from two alpacas immunized with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike proteins. AVIDa-SARS-CoV-2 includes binary labels indicating the binding or non-binding of diverse VHH sequences to 12 SARS-CoV-2 mutants, such as the Delta and Omicron variants. Furthermore, we release VHHCorpus-2M, a pre-training dataset for antibody language models, containing over two million VHH sequences. We report benchmark results for predicting SARS-CoV-2-VHH binding using VHHBERT pre-trained on VHHCorpus-2M and existing general protein and antibody-specific pre-trained language models. These results confirm that AVIDa-SARS-CoV-2 provides valuable benchmarks for evaluating the representation capabilities of antibody language models for binding prediction, thereby facilitating the development of AI-driven antibody discovery. The datasets are available at https://datasets.cognanous.com.
Exploring and Exploiting the Asymmetric Valley of Deep Neural Networks
Venue: Conference NeurIPS 2024
Year: 2024

Exploring the loss landscape offers insights into the inherent principles of deep neural networks (DNNs). Recent work suggests an additional asymmetry of the valley beyond the flat and sharp ones, yet without thoroughly examining its causes or implications. Our study methodically explores the factors affecting the symmetry of DNN valleys, encompassing (1) the dataset, network architecture, initialization, and hyperparameters that influence the convergence point; and (2) the magnitude and direction of the noise for 1D visualization. Our major observation shows that the {\it degree of sign consistency} between the noise and the convergence point is a critical indicator of valley symmetry. Theoretical insights from the aspects of ReLU activation and softmax function could explain the interesting phenomenon. Our discovery propels novel understanding and applications in the scenario of Model Fusion: (1) the efficacy of interpolating separate models significantly correlates with their sign consistency ratio, and (2) imposing sign alignment during federated learning emerges as an innovative approach for model parameter alignment.
Nuclear Norm Regularization for Deep Learning
Venue: Conference NeurIPS 2024
Year: 2024

Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its singular value decomposition. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions $f = g \circ h$, one may equivalently penalize the average squared Frobenius norm of $Jg$ and $Jh$. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.
SE(3)-bi-equivariant Transformers for Point Cloud Assembly
Venue: Conference NeurIPS 2024
Year: 2024

Given a pair of point clouds, the goal of assembly is to recover a rigid transformation that aligns one point cloud to the other. This task is challenging because the point clouds may be non-overlapped, and they may have arbitrary initial positions. To address these difficulties, we propose a method, called SE(3)-bi-equivariant transformer (BITR), based on the SE(3)-bi-equivariance prior of the task: it guarantees that when the inputs are rigidly perturbed, the output will transform accordingly. Due to its equivariance property, BITR can not only handle non-overlapped PCs, but also guarantee robustness against initial positions. Specifically, BITR first extracts features of the inputs using a novel $SE(3) \times SE(3)$-transformer, and then projects the learned feature to group SE(3) as the output. Moreover, we theoretically show that swap and scale equivariances can be incorporated into BITR, thus it further guarantees stable performance under scaling and swapping the inputs. We experimentally show the effectiveness of BITR in practical tasks.
LocCa: Visual Pretraining with Location-aware Captioners
Venue: Conference NeurIPS 2024
Year: 2024

Image captioning has been shown as an effective pretraining method similar to contrastive pretraining. However, the incorporation of location-aware information into visual pretraining remains an area with limited research. In this paper, we propose a simple visual pretraining method with location-aware captioners (LocCa). LocCa uses a simple image captioner task interface, to teach a model to read out rich information, i.e. bounding box coordinates, and captions, conditioned on the image pixel input. Thanks to the multitask capabilities of an encoder-decoder architecture, we show that an image captioner can easily handle multiple tasks during pretraining. Our experiments demonstrate that LocCa outperforms standard captioners significantly on localization downstream tasks while maintaining comparable performance on holistic tasks.
Efficient Graph Matching for Correlated Stochastic Block Models
Venue: Conference NeurIPS 2024
Year: 2024

We study learning problems on correlated stochastic block models with two balanced communities. Our main result gives the first efficient algorithm for graph matching in this setting. In the most interesting regime where the average degree is logarithmic in the number of vertices, this algorithm correctly matches all but a vanishing fraction of vertices with high probability, whenever the edge correlation parameter $s$ satisfies $s^2 > α\approx 0.338$, where $α$ is Otter's tree-counting constant. Moreover, we extend this to an efficient algorithm for exact graph matching whenever this is information-theoretically possible, positively resolving an open problem of Rácz and Sridhar (NeurIPS 2021). Our algorithm generalizes the recent breakthrough work of Mao, Wu, Xu, and Yu (STOC 2023), which is based on centered subgraph counts of a large family of trees termed chandeliers. A major technical challenge that we overcome is dealing with the additional estimation errors that are necessarily present due to the fact that, in relevant parameter regimes, the latent community partition cannot be exactly recovered from a single graph. As an application of our results, we give an efficient algorithm for exact community recovery using multiple correlated graphs in parameter regimes where it is information-theoretically impossible to do so using just a single graph.
RedPajama: an Open Dataset for Training Large Language Models
Venue: Conference NeurIPS 2024
Year: 2024

Large language models are increasingly becoming a cornerstone technology in artificial intelligence, the sciences, and society as a whole, yet the optimal strategies for dataset composition and filtering remain largely elusive. Many of the top-performing models lack transparency in their dataset curation and model development processes, posing an obstacle to the development of fully open language models. In this paper, we identify three core data-related challenges that must be addressed to advance open-source language models. These include (1) transparency in model development, including the data curation process, (2) access to large quantities of high-quality data, and (3) availability of artifacts and metadata for dataset curation and analysis. To address these challenges, we release RedPajama-V1, an open reproduction of the LLaMA training dataset. In addition, we release RedPajama-V2, a massive web-only dataset consisting of raw, unfiltered text data together with quality signals and metadata. Together, the RedPajama datasets comprise over 100 trillion tokens spanning multiple domains and with their quality signals facilitate the filtering of data, aiming to inspire the development of numerous new datasets. To date, these datasets have already been used in the training of strong language models used in production, such as Snowflake Arctic, Salesforce's XGen and AI2's OLMo. To provide insight into the quality of RedPajama, we present a series of analyses and ablation studies with decoder-only language models with up to 1.6B parameters. Our findings demonstrate how quality signals for web data can be effectively leveraged to curate high-quality subsets of the dataset, underscoring the potential of RedPajama to advance the development of transparent and high-performing language models at scale.
Understanding the Transferability of Representations via Task-Relatedness
Venue: Conference NeurIPS 2024
Year: 2024

The growing popularity of transfer learning, due to the availability of models pre-trained on vast amounts of data, makes it imperative to understand when the knowledge of these pre-trained models can be transferred to obtain high-performing models on downstream target tasks. However, the exact conditions under which transfer learning succeeds in a cross-domain cross-task setting are still poorly understood. To bridge this gap, we propose a novel analysis that analyzes the transferability of the representations of pre-trained models to downstream tasks in terms of their relatedness to a given reference task. Our analysis leads to an upper bound on transferability in terms of task-relatedness, quantified using the difference between the class priors, label sets, and features of the two tasks. Our experiments using state-of-the-art pre-trained models show the effectiveness of task-relatedness in explaining transferability on various vision and language tasks. The efficient computability of task-relatedness even without labels of the target task and its high correlation with the model's accuracy after end-to-end fine-tuning on the target task makes it a useful metric for transferability estimation. Our empirical results of using task-relatedness to select the best pre-trained model from a model zoo for a target task highlight its utility for practical problems.
S2HPruner: Soft-to-Hard Distillation Bridges the Discretization Gap in Pruning
Venue: Conference NeurIPS 2024
Year: 2024

Recently, differentiable mask pruning methods optimize the continuous relaxation architecture (soft network) as the proxy of the pruned discrete network (hard network) for superior sub-architecture search. However, due to the agnostic impact of the discretization process, the hard network struggles with the equivalent representational capacity as the soft network, namely discretization gap, which severely spoils the pruning performance. In this paper, we first investigate the discretization gap and propose a novel structural differentiable mask pruning framework named S2HPruner to bridge the discretization gap in a one-stage manner. In the training procedure, SH2Pruner forwards both the soft network and its corresponding hard network, then distills the hard network under the supervision of the soft network. To optimize the mask and prevent performance degradation, we propose a decoupled bidirectional knowledge distillation. It blocks the weight updating from the hard to the soft network while maintaining the gradient corresponding to the mask. Compared with existing pruning arts, S2HPruner achieves surpassing pruning performance without fine-tuning on comprehensive benchmarks, including CIFAR-100, Tiny ImageNet, and ImageNet with a variety of network architectures. Besides, investigation and analysis experiments explain the effectiveness of S2HPruner. Codes will be released soon.