mtybilly/Instruct2DS huggingface dataset:
Federated Learning with Client Subsampling, Data Heterogeneity, and Unbounded Smoothness: A New Algorithm and Lower Bounds
Authors: Yajie Bao, Mingrui Liu Michael Crawshaw
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study the problem of Federated Learning (FL) under client subsampling and data heterogeneity with an objective function that has potentially unbounded smoothness. This problem is motivated by empirical evidence that the class of relaxed smooth functions, where the Lipschitz constant of the gradient scales linearly with the gradient norm, closely resembles the loss functions of certain neural networks such as recurrent neural networks (RNNs) with possibly exploding gradient. We introduce EPISODE++, the first algorithm to solve this problem. It maintains historical statistics for each client to construct control variates and decide clipping behavior for sampled clients in the current round. We prove that EPISODE++ achieves linear speedup in the number of participating clients, reduced communication rounds, and resilience to data heterogeneity. Our upper bound proof relies on novel techniques of recursively bounding the client updates under unbounded smoothness and client subsampling, together with a refined high probability analysis. In addition, we prove a lower bound showing that the convergence rate of a special case of clipped minibatch SGD (without randomness in the stochastic gradient and with randomness in client subsampling) suffers from an explicit dependence on the maximum gradient norm of the objective in a sublevel set, which may be large. This effectively demonstrates that applying gradient clipping to minibatch SGD in our setting does not eliminate the problem of exploding gradients.  Our lower bound is based on new constructions of hard instances tailored to client subsampling and a novel analysis of the trajectory of the algorithm in the presence of clipping. Lastly, we provide an experimental evaluation of EPISODE++ when training RNNs on federated text classification tasks, demonstrating that EPISODE++ outperforms strong baselines in FL. The code is available at https://github.com/MingruiLiu-ML-Lab/episode_plusplus.
NeuroGraph: Benchmarks for Graph Machine Learning in Brain Connectomics
Authors: Roza Bayrak, Tyler Derr, Mudassir Shabbir, Daniel Moyer, Catie Chang, Xenofon Koutsoukos Anwar Said
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional magnetic resonance imaging (MRI) research, interactions between brain regions are commonly modeled using graph-based representations. The potency of graph machine learning methods has been established across myriad domains, marking a transformative step in data interpretation and predictive modeling. Yet, despite their promise, the transposition of these techniques to the neuroimaging domain has been  challenging due to the expansive number of potential preprocessing pipelines and the large parameter search space for graph-based dataset construction. In this paper, we introduce NeuroGraph, a collection of graph-based neuroimaging datasets, and demonstrated its utility for predicting multiple categories of behavioral and cognitive traits. We delve deeply into the dataset generation search space by crafting 35 datasets that encompass static and dynamic brain connectivity, running in excess of 15 baseline methods for benchmarking. Additionally, we provide generic frameworks for learning on both static and dynamic graphs. Our extensive experiments lead to several key observations. Notably, using correlation vectors as node features, incorporating larger number of regions of interest, and employing sparser graphs lead to improved performance. To foster further advancements in graph-based data driven neuroimaging analysis, we offer a comprehensive open-source Python package that includes the benchmark datasets, baseline implementations, model training, and standard evaluation.
Quantifying the Cost of Learning in Queueing Systems
Authors: Thodoris Lykouris, Wentao Weng Daniel Freund
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Queueing systems are widely applicable stochastic models with use cases in communication networks, healthcare, service systems, etc. Although their optimal control has been extensively studied, most existing approaches assume perfect knowledge of the system parameters. Of course, this assumption rarely holds in practice where there is parameter uncertainty, thus motivating a recent line of work on bandit learning for queueing systems. This nascent stream of research focuses on the asymptotic performance of the proposed algorithms. In this paper, we argue that an asymptotic metric, which focuses on late-stage performance, is insufficient to capture the intrinsic statistical complexity of learning in queueing systems which typically occurs in the early stage. Instead, we propose the Cost of Learning in Queueing (CLQ), a new metric that quantifies the maximum increase in time-averaged queue length caused by parameter uncertainty.We characterize the CLQ of a single-queue multi-server system, and then extend these results to multi-queue multi-server systems and networks of queues. In establishing our results, we propose a unified analysis framework for CLQ that bridges Lyapunov and bandit analysis, provides guarantees for a wide range of algorithms, and could be of independent interest.
One-Line-of-Code Data Mollification Improves Optimization of Likelihood-based Generative Models
Authors: Giulio Franzese, Pietro Michiardi, Maurizio Filippone Ba-Hien Tran
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Generative Models (GMs) have attracted considerable attention due to their tremendous success in various domains, such as computer vision where they are capable to generate impressive realistic-looking images. Likelihood-based GMs are attractive due to the possibility to generate new data by a single model evaluation. However, they typically achieve lower sample quality compared to state-of-the-art score-based Diffusion Models (DMs). This paper provides a significant step in the direction of addressing this limitation. The idea is to borrow one of the strengths of score-based DMs, which is the ability to perform accurate density estimation in low-density regions and to address manifold overfitting by means of data mollification. We propose a view of data mollification within likelihood-based GMs as a continuation method, whereby the optimization objective smoothly transitions from simple-to-optimize to the original target. Crucially, data mollification can be implemented by adding one line of code in the optimization loop, and we demonstrate that this provides a boost in generation quality of likelihood-based GMs, without computational overheads. We report results on real-world image data sets and UCI benchmarks with popular likelihood-based GMs, including variants of variational autoencoders and normalizing flows, showing large improvements in FID score and density estimation.
FLSL: Feature-level Self-supervised Learning
Authors: Anton Netchaev, Hai Li, Shihao Ji Qing Su
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Current self-supervised learning (SSL) methods (e.g., SimCLR, DINO, VICReg, MOCOv3) target primarily on representations at instance level and do not generalize well to dense prediction tasks, such as object detection and segmentation. Towards aligning SSL with dense predictions, this paper demonstrates for the first time the underlying mean-shift clustering process of Vision Transformers (ViT), which aligns well with natural image semantics (e.g., a world of objects and stuffs). By employing transformer for joint embedding and clustering, we propose a bi-level feature clustering SSL method, coined Feature-Level Self-supervised Learning (FLSL). We present the formal definition of the FLSL problem and construct the objectives from the mean-shift and k-means perspectives. We show that FLSL promotes remarkable semantic cluster representations and learns an embedding scheme amenable to intra-view and inter-view feature clustering. Experiments show that FLSL yields significant improvements in dense prediction tasks, achieving 44.9 (+2.8)% AP and 46.5% AP in object detection, as well as 40.8 (+2.3)% AP and 42.1% AP in instance segmentation on MS-COCO, using Mask R-CNN with ViT-S/16 and ViT-S/8 as backbone, respectively. FLSL consistently outperforms existing SSL methods across additional benchmarks, including UAV object detection on UAVDT, and video instance segmentation on DAVIS 2017. We conclude by presenting visualization and various ablation studies to better understand the success of FLSL. The source code is available at https://github.com/ISL-CV/FLSL.
FeCAM: Exploiting the Heterogeneity of Class Distributions in Exemplar-Free Continual Learning
Authors: Yuyang Liu, Bartłomiej Twardowski, Joost van de Weijer Dipam Goswami
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Exemplar-free class-incremental learning (CIL) poses several challenges since it prohibits the rehearsal of data from previous tasks and thus suffers from catastrophic forgetting. Recent approaches to incrementally learning the classifier by freezing the feature extractor after the first task have gained much attention. In this paper, we explore prototypical networks for CIL, which generate new class prototypes using the frozen feature extractor and classify the features based on the Euclidean distance to the prototypes. In an analysis of the feature distributions of classes, we show that classification based on Euclidean metrics is successful for jointly trained features. However, when learning from non-stationary data, we observe that the Euclidean metric is suboptimal and that feature distributions are heterogeneous. To address this challenge, we revisit the anisotropic Mahalanobis distance for CIL. In addition, we empirically show that modeling the feature covariance relations is better than previous attempts at sampling features from normal distributions and training a linear classifier. Unlike existing methods, our approach generalizes to both many- and few-shot CIL settings, as well as to domain-incremental settings. Interestingly, without updating the backbone network, our method obtains state-of-the-art results on several standard continual learning benchmarks. Code is available at https://github.com/dipamgoswami/FeCAM.
Learning non-Markovian Decision-Making from State-only Sequences
Authors: Feng Gao, Qing Li, Song-Chun Zhu, Sirui Xie Aoyang Qin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Conventional imitation learning assumes access to the actions of demonstrators, but these motor signals are often non-observable in naturalistic settings. Additionally, sequential decision-making behaviors in these settings can deviate from the assumptions of a standard Markov Decision Process (MDP). To address these challenges, we explore deep generative modeling of state-only sequences with non-Markov Decision Process (nMDP), where the policy is an energy-based prior in the latent space of the state transition generator. We develop maximum likelihood estimation to achieve model-based imitation, which involves short-run MCMC sampling from the prior and importance sampling for the posterior. The learned model enables $\textit{decision-making as inference}$: model-free policy execution is equivalent to prior sampling, model-based planning is posterior sampling initialized from the policy. We demonstrate the efficacy of the proposed method in a prototypical path planning task with non-Markovian constraints and show that the learned model exhibits strong performances in challenging domains from the MuJoCo suite.
Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts
Authors: Xin Wang, Ziwei Zhang, Zhou Qin, Weigao Wen, Hui Xue', Haoyang Li, Wenwu Zhu Zeyang Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs.Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle cases involving distribution shifts in the spectral domain. In this paper, we discover that there exist cases with distribution shifts unobservable in the time domain while observable in the spectral domain, and propose to study distribution shifts on dynamic graphs in the spectral domain for the first time.However, this investigation poses two key challenges: i) it is non-trivial to capture different graph patterns that are driven by various frequency components entangled in the spectral domain; and ii) it remains unclear how to handle distribution shifts with the discovered spectral patterns. To address these challenges, we propose Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (SILD), which can handle distribution shifts on dynamic graphs by capturing and utilizing invariant and variant spectral patterns. Specifically, we first design a DyGNN with Fourier transform to obtain the ego-graph trajectory spectrums, allowing the mixed dynamic graph patterns to be transformed into separate frequency components. We then develop a disentangled spectrum mask to filter graph dynamics from various frequency components and discover the invariant and variant spectral patterns. Finally, we propose invariant spectral filtering, which encourages the model to rely on invariant patterns for generalization under distribution shifts. Experimental results on synthetic and real-world dynamic graph datasets demonstrate the superiority of our method for both node classification and link prediction tasks under distribution shifts.
Efficient Activation Function Optimization through Surrogate Modeling
Authors: Risto Miikkulainen Garrett Bingham
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Carefully designed activation functions can improve the performance of neural networks in many machine learning tasks.  However, it is difficult for humans to construct optimal activation functions, and current activation function search algorithms are prohibitively expensive.  This paper aims to improve the state of the art through three steps: First, the benchmark datasets Act-Bench-CNN, Act-Bench-ResNet, and Act-Bench-ViT were created by training convolutional, residual, and vision transformer architectures from scratch with 2,913 systematically generated activation functions. Second, a characterization of the benchmark space was developed, leading to a new surrogate-based method for optimization. More specifically, the spectrum of the Fisher information matrix associated with the model's predictive distribution at initialization and the activation function's output distribution were found to be highly predictive of performance. Third, the surrogate was used to discover improved activation functions in several real-world tasks, with a surprising finding: a sigmoidal design that outperformed all other activation functions was discovered, challenging the status quo of always using rectifier nonlinearities in deep learning.  Each of these steps is a contribution in its own right; together they serve as a practical and theoretical foundation for further research on activation function optimization.
Data Market Design through Deep Learning
Authors: Yanchen Jiang, David C. Parkes Sai Srivatsa Ravindranath
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The  data market design problem is a problem in economic theory to find a set of signaling schemes (statistical experiments) to maximize expected revenue to the information seller, where each experiment reveals some of the information known to a seller and has a corresponding price. Each buyer has their own decision to make in a world environment, and their subjective expected value for the information associated with a particular experiment comes from the improvement in this decision and depends on their prior and value for different outcomes. In a setting with multiple buyers, a buyer's expected value for an experiment may also depend on the information sold to others. We introduce the application of deep learning for the design of revenue-optimal data markets, looking to expand the frontiers of what can be understood and achieved. Relative to earlier work on deep learning for auction design, we must learn signaling schemes rather than allocation rules and handle  obedience constraints  — these arising from modeling the downstream actions of buyers — in addition to incentive constraints on bids.  Our experiments demonstrate that this new deep learning framework can almost precisely replicate all known solutions from theory, expand to more complex settings, and be used to establish the optimality of new designs for data markets and make conjectures in regard to the structure of optimal designs.
When Visual Prompt Tuning Meets Source-Free Domain Adaptive Semantic Segmentation
Authors: Yiming Wang, Hao Liu, Tianyu Guo, Yunhe Wang Xinhong Ma
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Source-free domain adaptive semantic segmentation aims to adapt a pre-trained source model to the unlabeled target domain without accessing the private source data. Previous methods usually fine-tune the entire network, which suffers from expensive parameter tuning. To avoid this problem, we propose to utilize visual prompt tuning for parameter-efficient adaptation. However, the existing visual prompt tuning methods are unsuitable for source-free domain adaptive semantic segmentation due to the following two reasons: (1) Commonly used visual prompts like input tokens or pixel-level perturbations cannot reliably learn informative knowledge beneficial for semantic segmentation. (2) Visual prompts require sufficient labeled data to fill the gap between the pre-trained model and downstream tasks. To alleviate these problems, we propose a universal unsupervised visual prompt tuning  (Uni-UVPT) framework, which is applicable to various transformer-based backbones. Specifically, we first divide the source pre-trained backbone with frozen parameters into multiple stages, and propose a lightweight prompt adapter for progressively encoding informative knowledge into prompts and enhancing the generalization of target features between adjacent backbone stages. Cooperatively, a novel adaptive pseudo-label correction strategy with a multiscale consistency loss is designed to alleviate the negative effect of target samples with noisy pseudo labels and raise the capacity of visual prompts to spatial perturbations. Extensive experiments demonstrate that Uni-UVPT achieves state-of-the-art performance on GTA5 $\to$ Cityscapes and SYNTHIA $\to$ Cityscapes tasks and can serve as a universal and parameter-efficient framework for large-model unsupervised knowledge transfer. Code will be available at https://gitee.com/mindspore/models/tree/master/research/cv/uni-uvpt and https://github.com/huawei-noah/noah-research/tree/master/uni-uvpt.
Benchmarking and Analyzing 3D-aware Image Synthesis with a Modularized Codebase
Authors: Zifan Shi, Kecheng Zheng, Yinghao Xu, Sida Peng, Yujun Shen Qiuyu Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Despite the rapid advance of 3D-aware image synthesis, existing studies usually adopt a mixture of techniques and tricks, leaving it unclear how each part contributes to the final performance in terms of generality. Following the most popular and effective paradigm in this field, which incorporates a neural radiance field (NeRF) into the generator of a generative adversarial network (GAN), we builda well-structured codebase through modularizing the generation process. Such a design allows researchers to develop and replace each module independently, and hence offers an opportunity to fairly compare various approaches and recognize their contributions from the module perspective. The reproduction of a range of cutting-edge algorithms demonstrates the availability of our modularized codebase. We also perform a variety of in-depth analyses, such as the comparison across different types of point feature, the necessity of the tailing upsampler in the generator, the reliance on the camera pose prior, etc., which deepen our understanding of existing methods and point out some further directions of the research work. Code and models will be made publicly available to facilitate the development and evaluation of this field.
RL-ViGen: A Reinforcement Learning Benchmark for Visual Generalization
Authors: Sizhe Yang, Pu Hua, Can Chang, Kaizhe Hu, Huazhe Xu Zhecheng Yuan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Visual Reinforcement Learning (Visual RL), coupled with high-dimensional observations, has consistently confronted the long-standing challenge of out-of-distribution generalization. Despite the focus on algorithms aimed at resolving visual generalization problems, we argue that the devil is in the existing benchmarks as they are restricted to isolated tasks and generalization categories, undermining a comprehensive evaluation of agents' visual generalization capabilities. To bridge this gap, we introduce RL-ViGen: a novel Reinforcement Learning Benchmark for Visual Generalization, which contains diverse tasks and a wide spectrum of generalization types, thereby facilitating the derivation of more reliable conclusions. Furthermore, RL-ViGen incorporates the latest generalization visual RL algorithms into a unified framework, under which the experiment results indicate that no single existing algorithm has prevailed universally across tasks. Our aspiration is that Rl-ViGen will serve as a catalyst in this area, and lay a foundation for the future creation of universal visual generalization RL agents suitable for real-world scenarios.  Access to our code and implemented algorithms is provided at https://gemcollector.github.io/RL-ViGen/.
DoWG Unleashed: An Efficient Universal Parameter-Free Gradient Descent Method
Authors: Konstantin Mishchenko, Chi Jin Ahmed Khaled
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper proposes a new easy-to-implement parameter-free gradient-based optimizer: DoWG (Distance over Weighted Gradients). We prove that DoWG is efficient---matching the convergence rate of optimally tuned gradient descent in convex optimization up to a logarithmic factor without tuning any parameters, and universal---automatically adapting to both smooth and nonsmooth problems. While popular algorithms following the AdaGrad framework compute a running average of the squared gradients, DoWG maintains a new distance-based weighted version of the running average, which is crucial to achieve the desired properties. To complement our theory, we also show empirically that DoWG trains at the edge of stability, and validate its effectiveness on practical machine learning tasks.
Multitask Learning with No Regret: from Improved Confidence Bounds to Active Learning
Authors: Pierre Laforgue, Nicolò Cesa-Bianchi, Andreas Krause Pier Giuseppe Sessa
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Multitask learning is a powerful framework that enables one to simultaneously learn multiple related tasks by sharing information between them. Quantifying uncertainty in the estimated tasks is of pivotal importance for many downstream applications, such as online or active learning. In this work, we provide novel confidence intervals for multitask regression in the challenging agnostic setting, i.e., when neither the similarity between tasks nor the tasks' features are available to the learner. The obtained intervals do not require i.i.d. data and can be directly applied to bound the regret in online learning. Through a refined analysis of the multitask information gain, we obtain new regret guarantees that, depending on a task similarity parameter, can significantly improve over treating tasks independently. We further propose a novel online learning algorithm that achieves such improved regret without knowing this parameter in advance, i.e., automatically adapting to task similarity. As a second key application of our results, we introduce a novel multitask active learning setup where several tasks must be simultaneously optimized, but only one of them can be queried for feedback by the learner at each round. For this problem, we design a no-regret algorithm that uses our confidence intervals to decide which task should be queried. Finally, we empirically validate our bounds and algorithms on synthetic and real-world (drug discovery) data.
Posterior Sampling with Delayed Feedback for Reinforcement Learning with Linear Function Approximation
Authors: Ming Yin, Mengdi Wang, Yu-Xiang Wang, Yian Ma Nikki Lijing Kuang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent studies in reinforcement learning (RL) have made significant progress by leveraging function approximation to alleviate the sample complexity hurdle for better performance. Despite the success, existing provably efficient algorithms typically rely on the accessibility of immediate feedback upon taking actions. The failure to account for the impact of delay in observations can significantly degrade the performance of real-world systems due to the regret blow-up. In this work, we tackle the challenge of delayed feedback in RL with linear function approximation by employing posterior sampling, which has been shown to empirically outperform the popular UCB algorithms in a wide range of regimes. We first introduce \textit{Delayed-PSVI}, an optimistic value-based algorithm that effectively explores the value function space via noise perturbation with posterior sampling. We provide the first analysis for posterior sampling algorithms with delayed feedback in RL and show our algorithm achieves $\widetilde{O}(\sqrt{d^3H^3 T} + d^2H^2 \mathbb{E}[\tau])$ worst-case regret in the presence of unknown stochastic delays. Here $\mathbb{E}[\tau]$ is the expected delay. To further improve its computational efficiency and to expand its applicability in high-dimensional RL problems, we incorporate a gradient-based approximate sampling scheme via Langevin dynamics for \textit{Delayed-LPSVI}, which maintains the same order-optimal regret guarantee with $\widetilde{O}(dHK)$ computational cost. Empirical evaluations are performed to demonstrate the statistical and computational efficacy of our algorithms.
Macro Placement by Wire-Mask-Guided Black-Box Optimization
Authors: Ke Xue, Song Lei, Chao Qian Yunqi Shi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The development of very large-scale integration (VLSI) technology has posed new challenges for electronic design automation (EDA) techniques in chip floorplanning. During this process, macro placement is an important subproblem, which tries to determine the positions of all macros with the aim of minimizing half-perimeter wirelength (HPWL) and avoiding overlapping. Previous methods include packing-based, analytical and reinforcement learning methods. In this paper, we propose a new black-box optimization (BBO) framework (called WireMask-BBO) for macro placement, by using a wire-mask-guided greedy procedure for objective evaluation. Equipped with different BBO algorithms, WireMask-BBO empirically achieves significant improvements over previous methods, i.e., achieves significantly shorter HPWL by using much less time. Furthermore, it can fine-tune existing placements by treating them as initial solutions, which can bring up to 50% improvement in HPWL. WireMask-BBO has the potential to significantly improve the quality and efficiency of chip floorplanning, which makes it appealing to researchers and practitioners in EDA and will also promote the application of BBO. Our code is available at https://github.com/lamda-bbo/WireMask-BBO.
Reconciling Competing Sampling Strategies of Network Embedding
Authors: Baoyu Jing, Lihui Liu, Ruijie Wang, Jinning Li, Tarek Abdelzaher, Hanghang Tong Yuchen Yan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Network embedding plays a significant role in a variety of applications. To capture the topology of the network, most of the existing network embedding algorithms follow a sampling training procedure, which maximizes the similarity (e.g., embedding vectors' dot product) between positively sampled node pairs and minimizes the similarity between negatively sampled node pairs in the embedding space. Typically, close node pairs function as positive samples while distant node pairs are usually considered as negative samples. However, under different or even competing sampling strategies, some methods champion sampling distant node pairs as positive samples to encapsulate longer distance information in link prediction, whereas others advocate adding close nodes into the negative sample set to boost the performance of node recommendation. In this paper, we seek to understand the intrinsic relationships between these competing strategies. To this end, we identify two properties (discrimination and monotonicity) that given any node pair proximity distribution, node embeddings should embrace.Moreover, we quantify the empirical error of the trained similarity score w.r.t. the sampling strategy, which leads to an important finding that the discrimination property and the monotonicity property for all node pairs can not be satisfied simultaneously in real-world applications. Guided by such analysis, a simple yet novel model (SENSEI) is proposed, which seamlessly fulfills the discrimination property and the partial monotonicity within the top-$K$ ranking list. Extensive experiments show that SENSEI outperforms the state-of-the-arts in plain network embedding.
Zero-shot causal learning
Authors: Michael Moor, Yusuf Roohani, Yining Chen, Anja Šurina, Michihiro Yasunaga, Sara Oblak, Jure Leskovec Hamed Nilforoshan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Predicting how different interventions will causally affect a specific individual is important in a variety of domains such as personalized medicine, public policy, and online marketing. There are a large number of methods to predict the effect of an existing intervention based on historical data from individuals who received it. However, in many settings it is important to predict the effects of novel interventions (e.g., a newly invented drug), which these methods do not address.Here, we consider zero-shot causal learning: predicting the personalized effects of a novel intervention. We propose CaML, a causal meta-learning framework which formulates the personalized prediction of each intervention's effect as a task. CaML trains a single meta-model across thousands of tasks, each constructed by sampling an intervention, its recipients, and its nonrecipients. By leveraging both intervention information (e.g., a drug's attributes) and individual features (e.g., a patient's history), CaML is able to predict the personalized effects of novel interventions that do not exist at the time of training. Experimental results on real world datasets in large-scale medical claims and cell-line perturbations demonstrate the effectiveness of our approach. Most strikingly, CaML's zero-shot predictions outperform even strong baselines trained directly on data from the test interventions.
Learning Modulated Transformation in GANs
Authors: Qihang Zhang, Yinghao Xu, Jiapeng Zhu, Yujun Shen, Bo Dai Ceyuan Yang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The success of style-based generators largely benefits from style modulation,which helps take care of the cross-instance variation within data. However, theinstance-wise stochasticity is typically introduced via regular convolution, wherekernels interact with features at some fixed locations, limiting its capacity formodeling geometric variation. To alleviate this problem, we equip the generatorin generative adversarial networks (GANs) with a plug-and-play module, termedas modulated transformation module (MTM). This module predicts spatial offsetsunder the control of latent codes, based on which the convolution operation canbe applied at variable locations for different instances, and hence offers the modelan additional degree of freedom to handle geometry deformation. Extensiveexperiments suggest that our approach can be faithfully generalized to variousgenerative tasks, including image generation, 3D-aware image synthesis, andvideo generation, and get compatible with state-of-the-art frameworks withoutany hyper-parameter tuning. It is noteworthy that, towards human generation onthe challenging TaiChi dataset, we improve the FID of StyleGAN3 from 21.36 to13.60, demonstrating the efficacy of learning modulated geometry transformation.Code and models are available at https://github.com/limbo0000/mtm.
Active Negative Loss Functions for Learning with Noisy Labels
Authors: Xiaoqiang Li, songmin dai, Tong Liu, Yan Sun, Weiqin Tong Xichen Ye
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Robust loss functions are essential for training deep neural networks in the presence of noisy labels. Some robust loss functions use Mean Absolute Error (MAE) as its necessary component. For example, the recently proposed Active Passive Loss (APL) uses MAE as its passive loss function. However, MAE treats every sample equally, slows down the convergence and can make training difficult. In this work, we propose a new class of theoretically robust passive loss functions different from MAE, namely Normalized Negative Loss Functions (NNLFs), which focus more on memorized clean samples. By replacing the MAE in APL with our proposed NNLFs, we improve APL and propose a new framework called Active Negative Loss (ANL). Experimental results on benchmark and real-world datasets demonstrate that the new set of loss functions created by our ANL framework can outperform state-of-the-art methods. The code is available athttps://github.com/Virusdoll/Active-Negative-Loss.
Compositional Generalization from First Principles
Authors: Prasanna Mayilvahanan, Matthias Bethge, Wieland Brendel Thaddäus Wiedemer
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Leveraging the compositional nature of our world to expedite learning and facilitate generalization is a hallmark of human perception. In machine learning, on the other hand, achieving compositional generalization has proven to be an elusive goal, even for models with explicit compositional priors. To get a better handle on compositional generalization, we here approach it from the bottom up: Inspired by identifiable representation learning, we investigate compositionality as a property of the data-generating process rather than the data itself. This reformulation enables us to derive mild conditions on only the support of the training distribution and the model architecture, which are sufficient for compositional generalization. We further demonstrate how our theoretical framework applies to real-world scenarios and validate our findings empirically. Our results set the stage for a principled theoretical study of compositional generalization.
PanoGRF: Generalizable Spherical Radiance Fields for Wide-baseline Panoramas
Authors: Yan-Pei Cao, Yuan-Chen Guo, Chen Wang, Ying Shan, Song-Hai Zhang Zheng Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Achieving an immersive experience enabling users to explore virtual environments with six degrees of freedom (6DoF) is essential for various applications such as virtual reality (VR). Wide-baseline panoramas are commonly used in these applications to reduce network bandwidth and storage requirements. However, synthesizing novel views from these panoramas remains a key challenge. Although existing neural radiance field methods can produce photorealistic views under narrow-baseline and dense image captures, they tend to overfit the training views when dealing with wide-baseline panoramas due to the difficulty in learning accurate geometry from sparse $360^{\circ}$ views. To address this problem, we propose PanoGRF, Generalizable Spherical Radiance Fields for Wide-baseline Panoramas, which construct spherical radiance fields incorporating $360^{\circ}$ scene priors. Unlike generalizable radiance fields trained on perspective images, PanoGRF avoids the information loss from panorama-to-perspective conversion and directly aggregates geometry and appearance features of 3D sample points from each panoramic view based on spherical projection. Moreover, as some regions of the panorama are only visible from one view while invisible from others under wide baseline settings, PanoGRF incorporates $360^{\circ}$ monocular depth priors into spherical depth estimation to improve the geometry features. Experimental results on multiple panoramic datasets demonstrate that PanoGRF significantly outperforms state-of-the-art generalizable view synthesis methods for wide-baseline panoramas (e.g., OmniSyn) and perspective images (e.g., IBRNet, NeuRay).
A Heat Diffusion Perspective on Geodesic Preserving Dimensionality Reduction
Authors: Alexander Tong, Edward De Brouwer, Yanlei Zhang, Guy Wolf, Ian Adelstein, Smita Krishnaswamy Guillaume Huguet
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Diffusion-based manifold learning methods have proven useful in representation learning and dimensionality reduction of modern high dimensional, high throughput, noisy datasets. Such datasets are especially present in fields like biology and physics. While it is thought that these methods preserve underlying manifold structure of data by learning a proxy for geodesic distances, no specific theoretical links have been established. Here, we establish such a link via results in Riemannian geometry explicitly connecting heat diffusion to manifold distances. In this process, we also formulate a more general heat kernel based manifold embedding method that we call heat geodesic embeddings. This novel perspective makes clearer the choices available in manifold learning and denoising. Results show that our method outperforms existing state of the art in preserving ground truth manifold distances,  and preserving cluster structure in toy datasets. We also showcase our method on single cell RNA-sequencing datasets with both continuum and cluster structure, where our method enables interpolation of withheld timepoints of data. Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).
Finite-Time Analysis of Single-Timescale Actor-Critic
Authors: Lin Zhao Xuyang Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Actor-critic methods have achieved significant success in many challenging applications. However, its finite-time convergence is still poorly understood in the most practical single-timescale form. Existing works on analyzing single-timescale actor-critic have been limited to i.i.d. sampling or tabular setting for simplicity. We investigate the more practical online single-timescale actor-critic algorithm on continuous state space, where the critic assumes linear function approximation and updates with a single Markovian sample per actor step.  Previous analysis has been unable to establish the convergence for such a challenging scenario. We demonstrate that the online single-timescale actor-critic method provably finds an $\epsilon$-approximate stationary point with $\widetilde{\mathcal{O}}(\epsilon^{-2})$ sample complexity under standard assumptions, which can be further improved to $\mathcal{O}(\epsilon^{-2})$ under the i.i.d. sampling. Our novel framework systematically evaluates and controls the error propagation between the actor and critic. It offers a promising approach for analyzing other single-timescale reinforcement learning algorithms as well.
VanillaNet: the Power of Minimalism in Deep Learning
Authors: Yunhe Wang, Jianyuan Guo, Dacheng Tao Hanting Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: At the heart of foundation models is the philosophy of "more is different", exemplified by the astonishing success in computer vision and natural language processing. However, the challenges of optimization and inherent complexity of transformer models call for a paradigm shift towards simplicity. In this study, we introduce VanillaNet, a neural network architecture that embraces elegance in design. By avoiding high depth, shortcuts, and intricate operations like self-attention, VanillaNet is refreshingly concise yet remarkably powerful. Each layer is carefully crafted to be compact and straightforward, with nonlinear activation functions pruned after training to restore the original architecture. VanillaNet overcomes the challenges of inherent complexity, making it ideal for resource-constrained environments. Its easy-to-understand and highly simplified architecture opens new possibilities for efficient deployment. Extensive experimentation demonstrates that VanillaNet delivers performance on par with renowned deep neural networks and vision transformers, showcasing the power of minimalism in deep learning. This visionary journey of VanillaNet has significant potential to redefine the landscape and challenge the status quo of foundation model, setting a new path for elegant and effective model design. Pre-trained models and codes are available at https://github.com/huawei-noah/VanillaNet and https://gitee.com/mindspore/models/tree/master/research/cv/vanillanet
Probabilistic inverse optimal control for non-linear partially observable systems disentangles perceptual uncertainty and behavioral costs
Authors: Matthias Schultheis, Heinz Koeppl, Constantin A Rothkopf Dominik Straub
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Inverse optimal control can be used to characterize behavior in sequential decision-making tasks. Most existing work, however, is limited to fully observable or linear systems, or requires the action signals to be known. Here, we introduce a probabilistic approach to inverse optimal control for partially observable stochastic non-linear systems with unobserved action signals, which unifies previous approaches to inverse optimal control with maximum causal entropy formulations. Using an explicit model of the noise characteristics of the sensory and motor systems of the agent in conjunction with local linearization techniques, we derive an approximate likelihood function for the model parameters, which can be computed within a single forward pass. We present quantitative evaluations on stochastic and partially observable versions of two classic control tasks and two human behavioral tasks. Importantly, we show that our method can disentangle perceptual factors and behavioral costs despite the fact that epistemic and pragmatic actions are intertwined in sequential decision-making under uncertainty, such as in active sensing and active learning. The proposed method has broad applicability, ranging from imitation learning to sensorimotor neuroscience.
TIES-Merging: Resolving Interference When Merging Models
Authors: Derek Tam, Leshem Choshen, Colin A Raffel, Mohit Bansal Prateek Yadav
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Transfer learning – i.e., further fine-tuning a pre-trained model on a downstream task – can confer significant advantages, including improved downstream performance, faster convergence, and better sample efficiency. These advantages have led to a proliferation of task-specific fine-tuned models, which typically can only perform a single task and do not benefit from one another. Recently, model merging techniques have emerged as a solution to combine multiple task-specific models into a single multitask model without performing additional training. However, existing merging methods often ignore the interference between parameters of different models, resulting in large performance drops when merging multiple models. In this paper, we demonstrate that prior merging techniques inadvertently lose valuable information due to two major sources of interference: (a) interference due to redundant parameter values and (b) disagreement on the sign of a given parameter’s values across models. To address this, we propose our method, TrIm, Elect Sign & Merge (TIES-Merging), which introduces three novel steps when merging models: (1) resetting parameters that only changed a small amount during fine-tuning, (2) resolving sign conflicts, and (3) merging only the parameters that are in alignment with the final agreed-upon sign. We find that TIES-Merging outperforms existing methods in diverse settings covering a range of modalities, domains, number of tasks, model sizes, architectures, and fine-tuning settings. We further analyze the impact of different types of interference on model parameters, highlight the importance of signs, and show that estimating the signs using the validation data could further improve performance.