mtybilly/Instruct2DS huggingface dataset:
LANCE: Stress-testing Visual Models by Generating Language-guided Counterfactual Images
Authors: Viraj Prabhu, Sriram Yenamandra, Prithvijit Chattopadhyay, Judy Hoffman
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We propose an automated algorithm to stress-test a trained visual model by generating language-guided counterfactual test images (LANCE). Our method leverages recent progress in large language modeling and text-based image editing to augment an IID test set with a suite of diverse, realistic, and challenging test images without altering model weights. We benchmark the performance of a diverse set of pre-trained models on our generated data and observe significant and consistent performance drops. We further analyze model sensitivity across different types of edits, and demonstrate its applicability at surfacing previously unknown class-level model biases in ImageNet. Code is available at https://github.com/virajprabhu/lance.
Refined Mechanism Design for Approximately Structured Priors via Active Regression
Authors: Christos Boutsikas, Petros Drineas, Marios Mertzanidis, Alexandros Psomas, Paritosh Verma
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of a revenue-maximizing seller with a large number of items $m$ for sale to $n$ strategic bidders, whose valuations are drawn independently from high-dimensional, unknown prior distributions. It is well-known that optimal and even approximately-optimal mechanisms for this setting are notoriously difficult to characterize or compute, and, even when they can be found, are often rife with various counter-intuitive properties. In this paper, following a model introduced recently by Cai and Daskalakis [CD22], we consider the case that bidders' prior distributions can be well-approximated by a topic model. We design an active learning component, responsible for interacting with the bidders and outputting low-dimensional approximations of their types, and a mechanism design component, responsible for robustifying mechanisms for the low-dimensional model to work for the approximate types of the former component. On the active learning front, we cast our problem in the framework of Randomized Linear Algebra (RLA) for regression problems, allowing us to import several breakthrough results from that line of research, and adapt them to our setting. On the mechanism design front, we remove many restrictive assumptions of prior work on the type of access needed to the underlying distributions and the associated mechanisms. To the best of our knowledge, our work is the first to formulate connections between mechanism design, and RLA for active learning of regression problems, opening the door for further applications of randomized linear algebra primitives to mechanism design.
Most Neural Networks Are Almost Learnable
Authors: Amit Daniely, Nati Srebro, Gal Vardi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present a PTAS for learning random constant-depth networks. We show that for any fixed $\epsilon>0$ and depth $i$, there is a poly-time algorithm that for any distribution on $\sqrt{d} \cdot \mathbb{S}^{d-1}$ learns random Xavier networks of depth $i$, up to an additive error of $\epsilon$. The algorithm runs in time and sample complexity of $(\bar{d})^{\mathrm{poly}(\epsilon^{-1})}$, where $\bar d$ is the size of the network. For some  cases of sigmoid and ReLU-like activations the bound can be improved to $(\bar{d})^{\mathrm{polylog}(\epsilon^{-1})}$, resulting in a quasi-poly-time algorithm for learning constant depth random networks.
Bounded rationality in structured  density estimation
Authors: Tianyuan Teng, Kevin Li, Hang Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Learning to accurately represent environmental uncertainty is crucial for adaptive and optimal behaviors in various cognitive tasks. However, it remains unclear how the human brain, constrained by finite cognitive resources, constructs an internal model from an infinite space of probability distributions. In this study, we explore how these learned distributions deviate from the ground truth, resulting in observable inconsistency in a novel structured density estimation task. During each trial, human participants were asked to form and report the latent probability distribution functions underlying sequentially presented independent observations. As the number of observations increased, the reported predictive density became closer to the ground truth. Nevertheless, we observed an intriguing inconsistency in human structure estimation, specifically a large error in the number of reported clusters. Such inconsistency is invariant to the scale of the distribution and persists across stimulus modalities. We modeled uncertainty learning as approximate Bayesian inference in a nonparametric mixture prior of distributions. Human reports were best explained under resource rationality embodied in a decaying tendency towards model expansion. Our study offers insights into human cognitive processes under uncertainty and lays the groundwork for further exploration of resource-rational representations in the brain under more complex tasks.
RayDF: Neural Ray-surface Distance Fields with Multi-view Consistency
Authors: Zhuoman Liu, Bo Yang, Yan Luximon, Ajay Kumar, Jinxi Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this paper, we study the problem of continuous 3D shape representations. The majority of existing successful methods are coordinate-based implicit neural representations. However, they are inefficient to render novel views or recover explicit surface points. A few works start to formulate 3D shapes as ray-based neural functions, but the learned structures are inferior due to the lack of multi-view geometry consistency. To tackle these challenges, we propose a new framework called RayDF. It consists of three major components: 1) the simple ray-surface distance field, 2) the novel dual-ray visibility classifier, and 3) a multi-view consistency optimization module to drive the learned ray-surface distances to be multi-view geometry consistent. We extensively evaluate our method on three public datasets, demonstrating remarkable performance in 3D surface point reconstruction on both synthetic and challenging real-world 3D scenes, clearly surpassing existing coordinate-based and ray-based baselines. Most notably, our method achieves a 1000x faster speed than coordinate-based methods to render an 800x800 depth image, showing the superiority of our method for 3D shape representation. Our code and data are available at https://github.com/vLAR-group/RayDF
Motion-X: A Large-scale 3D Expressive Whole-body Human Motion Dataset
Authors: Jing Lin, Ailing Zeng, Shunlin Lu, Yuanhao Cai, Ruimao Zhang, Haoqian Wang, Lei Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: In this paper, we present Motion-X, a large-scale 3D expressive whole-body motion dataset. Existing motion datasets predominantly contain body-only poses, lacking facial expressions, hand gestures, and fine-grained pose descriptions. Moreover, they are primarily collected from limited laboratory scenes with textual descriptions manually labeled, which greatly limits their scalability. To overcome these limitations, we develop a whole-body motion and text annotation pipeline, which can automatically annotate motion from either single- or multi-view videos and provide comprehensive semantic labels for each video and fine-grained whole-body pose descriptions for each frame. This pipeline is of high precision, cost-effective, and scalable for further research. Based on it, we construct Motion-X, which comprises 15.6M precise 3D whole-body pose annotations (i.e., SMPL-X) covering 81.1K motion sequences from massive scenes. Besides, Motion-X provides 15.6M frame-level whole-body pose descriptions and 81.1K sequence-level semantic labels. Comprehensive experiments demonstrate the accuracy of the annotation pipeline and the significant benefit of Motion-X in enhancing expressive, diverse, and natural motion generation, as well as 3D whole-body human mesh recovery.
Blocked Collaborative Bandits: Online Collaborative Filtering with Per-Item Budget Constraints
Authors: Soumyabrata Pal, Arun Suggala, Karthikeyan Shanmugam, Prateek Jain
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of \emph{blocked} collaborative bandits where there are multiple users, each with an associated multi-armed bandit problem. These users are grouped into \emph{latent} clusters such that the mean reward vectors of users within the same cluster are identical. Our goal is to design algorithms that maximize the cumulative reward accrued by all the users over time, under the \emph{constraint} that no arm of a user is pulled more than $\mathsf{B}$ times. This problem has been originally considered by \cite{Bresler:2014}, and designing regret-optimal algorithms for it has since remained an open problem.In this work, we propose an algorithm called B-LATTICE (Blocked Latent bAndiTs via maTrIx ComplEtion) that collaborates across users, while simultaneously satisfying the budget constraints, to maximize their cumulative rewards. Theoretically, under certain reasonable assumptions on the latent structure, with $\mathsf{M}$ users, $\mathsf{N}$ arms, $\mathsf{T}$ rounds per user, and $\mathsf{C}=O(1)$ latent clusters, B-LATTICE achieves a per-user regret of  $\widetilde{O}(\sqrt{\mathsf{T}(1 + \mathsf{N}\mathsf{M}^{-1})})$ under a budget constraint of $\mathsf{B}=\Theta(\log \mathsf{T})$. These are the first sub-linear regret bounds for this problem, and match the minimax regret bounds when $\mathsf{B}=\mathsf{T}$. Empirically, we demonstrate that our algorithm has superior performance over baselines even when $\mathsf{B}=1$. B-LATTICE is a phased algorithm where in each phase it clusters users into groups and collaborates across users within a group to quickly learn their reward models.
Efficient Online Clustering with Moving Costs
Authors: Dimitrios Christou, Stratis Skoulakis, Volkan Cevher
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this work we consider an online learning problem, called Online $k$-Clustering with Moving Costs, at which a learner maintains a set of $k$ facilities over $T$ rounds so as to minimize the connection cost of an adversarially selected sequence of clients. The learner is informed on the positions of the clients at each round $t$ only after its facility-selection and can use this information to update its decision in the next round. However, updating the facility positions comes with an additional moving cost based on the moving distance of the facilities. We present the first $\mathcal{O}(\log n)$-regret polynomial-time online learning algorithm guaranteeing that the overall cost (connection $+$ moving) is at most $\mathcal{O}(\log n)$ times the time-averaged connection cost of the best fixed solution. Our work improves on the recent result of (Fotakis et al., 2021) establishing $\mathcal{O}(k)$-regret guarantees only on the connection cost.
SEGA: Instructing Text-to-Image Models using Semantic Guidance
Authors: Manuel Brack, Felix Friedrich, Dominik Hintersdorf, Lukas Struppek, Patrick Schramowski, Kristian Kersting
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Text-to-image diffusion models have recently received a lot of interest for their astonishing ability to produce high-fidelity images from text only. However, achieving one-shot generation that aligns with the user’s intent is nearly impossible, yet small changes to the input prompt often result in very different images. This leaves the user with little semantic control. To put the user in control, we show how to interact with the diffusion process to flexibly steer it along semantic directions. This semantic guidance (SEGA) generalizes to any generative architecture using classifier-free guidance. More importantly, it allows for subtle and extensive edits, composition and style changes, and optimizing the overall artistic conception. We demonstrate SEGA’s effectiveness on both latent and pixel-based diffusion models such as Stable Diffusion, Paella, and DeepFloyd-IF using a variety of tasks, thus providing strong evidence for its versatility and flexibility.
Learning Sample Difficulty from Pre-trained Models for Reliable Prediction
Authors: Peng Cui, Dan Zhang, Zhijie Deng, Yinpeng Dong, Jun Zhu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large-scale pre-trained models have achieved remarkable success in many applications, but how to leverage them to improve the prediction reliability of downstream models is undesirably under-explored. Moreover, modern neural networks have been found to be poorly calibrated and make overconfident predictions regardless of inherent sample difficulty and data uncertainty. To address this issue, we propose to utilize large-scale pre-trained models to guide downstream model training with sample difficulty-aware entropy regularization. Pre-trained models that have been exposed to large-scale datasets and do not overfit the downstream training classes enable us to measure each training sample’s difficulty via feature-space Gaussian modeling and relative Mahalanobis distance computation. Importantly, by adaptively penalizing overconfident prediction based on the sample difficulty, we simultaneously improve accuracy and uncertainty calibration across challenging benchmarks (e.g., +0.55% ACC and −3.7% ECE on ImageNet1k using ResNet34), consistently surpassing competitive baselines for reliable prediction. The improved uncertainty estimate further improves selective classification (abstaining from erroneous predictions) and out-of-distribution detection.
Asynchronous Proportional Response Dynamics: Convergence in Markets with Adversarial Scheduling
Authors: Yoav Kolumbus, Menahem Levy, Noam Nisan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study Proportional Response Dynamics (PRD) in linear Fisher markets, where participants act asynchronously. We model this scenario as a sequential process in which at each step, an adversary selects a subset of the players to update their bids, subject to liveness constraints. We show that if every bidder individually applies the PRD update rule whenever they are included in the group of bidders selected by the adversary, then, in the generic case, the entire dynamic converges to a competitive equilibrium of the market. Our proof technique reveals additional properties of linear Fisher markets, such as the uniqueness of the market equilibrium for generic parameters and the convergence of associated no swap regret dynamics and best response dynamics under certain conditions.
Seeing is not always believing: Benchmarking Human and Model Perception of AI-Generated Images
Authors: Zeyu Lu, Di Huang, LEI BAI, Jingjing Qu, Chengyue Wu, Xihui Liu, Wanli Ouyang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Photos serve as a way for humans to record what they experience in their daily lives, and they are often regarded as trustworthy sources of information. However, there is a growing concern that the advancement of artificial intelligence (AI) technology may produce fake photos, which can create confusion and diminish trust in photographs. This study aims to comprehensively evaluate agents for distinguishing state-of-the-art AI-generated visual content. Our study benchmarks both human capability and cutting-edge fake image detection AI algorithms, using a newly collected large-scale fake image dataset Fake2M. In our human perception evaluation, titled HPBench, we discovered that humans struggle significantly to distinguish real photos from AI-generated ones, with a misclassification rate of 38.7\%. Along with this, we conduct the model capability of AI-Generated images detection evaluation MPBench and the top-performing model from MPBench achieves a 13\% failure rate under the same setting used in the human evaluation.We hope that our study can raise awareness of the potential risks of AI-generated images and facilitate further research to prevent the spread of false information. More information can refer to https://github.com/Inf-imagine/Sentry.
FORB: A Flat Object Retrieval Benchmark for Universal Image Embedding
Authors: Pengxiang Wu, Siman Wang, Kevin Dela Rosa, Derek Hu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Image retrieval is a fundamental task in computer vision. Despite recent advances in this field, many techniques have been evaluated on a limited number of domains, with a small number of instance categories. Notably, most existing works only consider domains like 3D landmarks, making it difficult to generalize the conclusions made by these works to other domains, e.g., logo and other 2D flat objects. To bridge this gap, we introduce a new dataset for benchmarking visual search methods on flat images with diverse patterns. Our flat object retrieval benchmark (FORB) supplements the commonly adopted 3D object domain, and more importantly, it serves as a testbed for assessing the image embedding quality on out-of-distribution domains. In this benchmark we investigate the retrieval accuracy of representative methods in terms of candidate ranks, as well as matching score margin, a viewpoint which is largely ignored by many works. Our experiments not only highlight the challenges and rich heterogeneity of FORB, but also reveal the hidden properties of different retrieval strategies. The proposed benchmark is a growing project and we expect to expand in both quantity and variety of objects. The dataset and supporting codes are available at https://github.com/pxiangwu/FORB/.
Intra-Modal Proxy Learning for Zero-Shot Visual Categorization with CLIP
Authors: Qi Qian, Yuanhong Xu, Juhua Hu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Vision-language pre-training methods, e.g., CLIP, demonstrate an impressive zero-shot performance on visual categorizations with the class proxy from the text embedding of the class name. However, the modality gap between the text and vision space can result in a sub-optimal performance. We theoretically show that the gap cannot be reduced sufficiently by minimizing the contrastive loss in CLIP and the optimal proxy for vision tasks may reside only in the vision space. Therefore, given unlabeled target vision data, we propose to learn the vision proxy directly with the help from the text proxy for zero-shot transfer. Moreover, according to our theoretical analysis, strategies are developed to further refine the pseudo label obtained by the text proxy to facilitate the intra-modal proxy learning (InMaP) for vision. Experiments on extensive downstream tasks confirm the effectiveness and efficiency of our proposal. Concretely, InMaP can obtain the vision proxy within one minute on a single GPU while improving the zero-shot accuracy from $77.02\%$ to $80.21\%$ on ImageNet with ViT-L/14@336 pre-trained by CLIP.
Overcoming Recency Bias of Normalization Statistics in Continual Learning: Balance and Adaptation
Authors: Yilin Lyu, Liyuan Wang, Xingxing Zhang, Zicheng Sun, Hang Su, Jun Zhu, Liping Jing
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Continual learning entails learning a sequence of tasks and balancing their knowledge appropriately. With limited access to old training samples, much of the current work in deep neural networks has focused on overcoming catastrophic forgetting of old tasks in gradient-based optimization. However, the normalization layers provide an exception, as they are updated interdependently by the gradient and statistics of currently observed training samples, which require specialized strategies to mitigate recency bias. In this work, we focus on the most popular Batch Normalization (BN) and provide an in-depth theoretical analysis of its sub-optimality in continual learning. Our analysis demonstrates the dilemma between balance and adaptation of BN statistics for incremental tasks, which potentially affects training stability and generalization. Targeting on these particular challenges, we propose Adaptive Balance of BN (AdaB$^2$N), which incorporates appropriately a Bayesian-based strategy to adapt task-wise contributions and a modified momentum to balance BN statistics, corresponding to the training and testing stages. By implementing BN in a continual learning fashion, our approach achieves significant performance gains across a wide range of benchmarks, particularly for the challenging yet realistic online scenarios (e.g., up to 7.68\%, 6.86\% and 4.26\% on Split CIFAR-10, Split CIFAR-100 and Split Mini-ImageNet, respectively). Our code is available at https://github.com/lvyilin/AdaB2N.
The Simplicity Bias in Multi-Task RNNs: Shared Attractors, Reuse of Dynamics, and Geometric Representation
Authors: Elia Turner, Omri Barak
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: How does a single interconnected neural population perform multiple tasks, each with its own dynamical requirements? The relation between task requirements and neural dynamics in Recurrent Neural Networks (RNNs) has been investigated for single tasks. The forces shaping joint dynamics of multiple tasks, however, are largely unexplored. In this work, we first construct a systematic framework to study multiple tasks in RNNs, minimizing interference from input and output correlations with the hidden representation. This allows us to reveal how RNNs tend to share attractors and reuse dynamics, a tendency we define as the "simplicity bias".We find that RNNs develop attractors sequentially during training, preferentially reusing existing dynamics and opting for simple solutions when possible. This sequenced emergence and preferential reuse encapsulate the simplicity bias. Through concrete examples, we demonstrate that new attractors primarily emerge due to task demands or architectural constraints, illustrating a balance between simplicity bias and external factors.We examine the geometry of joint representations within a single attractor, by constructing a family of tasks from a set of functions. We show that the steepness of the associated functions controls their alignment within the attractor. This arrangement again highlights the simplicity bias, as points with similar input spacings undergo comparable transformations to reach the shared attractor.Our findings propose compelling applications. The geometry of shared attractors might allow us to infer the nature of unknown tasks. Furthermore, the simplicity bias implies that without specific incentives, modularity in RNNs may not spontaneously emerge, providing insights into the conditions required for network specialization.
Optimize Planning Heuristics to Rank, not to Estimate Cost-to-Goal
Authors: Leah Chrestien, Stefan Edelkamp, Antonin Komenda, Tomas Pevny
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In imitation learning for planning, parameters of heuristic functions are optimized against a set of solved problem instances. This work revisits the necessary and sufficient conditions of strictly optimally efficient heuristics for forward search algorithms, mainly A* and greedy best-first search, which expand only states on the returned optimal path. It then proposes a family of loss functions based on ranking tailored for a given variant of the forward search algorithm. Furthermore, from a learning theory point of view, it discusses why optimizing cost-to-goal h* is unnecessarily difficult. The experimental comparison on a diverse set of problems unequivocally supports the derived theory.
Goal-Conditioned Predictive Coding for Offline Reinforcement Learning
Authors: Zilai Zeng, Ce Zhang, Shijie Wang, Chen Sun
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent work has demonstrated the effectiveness of formulating decision making as supervised learning on offline-collected trajectories. Powerful sequence models, such as GPT or BERT, are often employed to encode the trajectories. However, the benefits of performing sequence modeling on trajectory data remain unclear. In this work, we investigate whether sequence modeling has the ability to condense trajectories into useful representations that enhance policy learning. We adopt a two-stage framework that first leverages sequence models to encode trajectory-level representations, and then learns a goal-conditioned policy employing the encoded representations as its input. This formulation allows us to consider many existing supervised offline RL methods as specific instances of our framework. Within this framework, we introduce Goal-Conditioned Predictive Coding (GCPC), a sequence modeling objective that yields powerful trajectory representations and leads to performant policies. Through extensive empirical evaluations on AntMaze, FrankaKitchen and Locomotion environments, we observe that sequence modeling can have a significant impact on challenging decision making tasks. Furthermore, we demonstrate that GCPC learns a goal-conditioned latent representation encoding the future trajectory, which enables competitive performance on all three benchmarks.
Exposing Attention Glitches with Flip-Flop Language Modeling
Authors: Bingbin Liu, Jordan Ash, Surbhi Goel, Akshay Krishnamurthy, Cyril Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Why do large language models sometimes output factual inaccuracies and exhibit erroneous reasoning? The brittleness of these models, particularly when executing long chains of reasoning, currently seems to be an inevitable price to pay for their advanced capabilities of coherently synthesizing knowledge, pragmatics, and abstract thought. Towards making sense of this fundamentally unsolved problem, this work identifies and analyzes the phenomenon of attention glitches, in which the Transformer architecture's inductive biases intermittently fail to capture robust reasoning. To isolate the issue, we introduce flip-flop language modeling (FFLM), a parametric family of synthetic benchmarks designed to probe the extrapolative behavior of neural language models. This simple generative task requires a model to copy binary symbols over long-range dependencies, ignoring the tokens in between. We find that Transformer FFLMs suffer from a long tail of sporadic reasoning errors, some of which we can eliminate using various regularization techniques. Our preliminary mechanistic analyses show why the remaining errors may be very difficult to diagnose and resolve. We hypothesize that attention glitches account for (some of) the closed-domain hallucinations in natural LLMs.
Information Design in Multi-Agent Reinforcement Learning
Authors: Yue Lin, Wenhao Li, Hongyuan Zha, Baoxiang Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Reinforcement learning (RL) is inspired by the way human infants and animals learn from the environment. The setting is somewhat idealized because, in actual tasks, other agents in the environment have their own goals and behave adaptively to the ego agent. To thrive in those environments, the agent needs to influence other agents so their actions become more helpful and less harmful. Research in computational economics distills two ways to influence others directly: by providing tangible goods (mechanism design) and by providing information (information design). This work investigates information design problems for a group of RL agents. The main challenges are two-fold. One is the information provided will immediately affect the transition of the agent trajectories, which introduces additional non-stationarity. The other is the information can be ignored, so the sender must provide information that the receiver is willing to respect. We formulate the Markov signaling game, and develop the notions of signaling gradient and the extended obedience constraints that address these challenges. Our algorithm is efficient on various mixed-motive tasks and provides further insights into computational economics. Our code is publicly available at https://github.com/YueLin301/InformationDesignMARL.
Gaussian Mixture Solvers for Diffusion Models
Authors: Hanzhong Guo, Cheng Lu, Fan Bao, Tianyu Pang, Shuicheng Yan, Chao Du, Chongxuan LI
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recently, diffusion models have achieved great success in generative tasks. Sampling from diffusion models is equivalent to solving the reverse diffusion stochastic differential equations (SDEs) or the corresponding probability flow ordinary differential equations (ODEs). In comparison, SDE-based solvers can generate samples of higher quality and are suited for image translation tasks like stroke-based synthesis. During inference, however, existing SDE-based solvers are severely constrained by the efficiency-effectiveness dilemma. Our investigation suggests that this is because the Gaussian assumption in the reverse transition kernel is frequently violated (even in the case of simple mixture data) given a limited number of discretization steps. To overcome this limitation, we introduce a novel class of SDE-based solvers called \emph{Gaussian Mixture Solvers (GMS)} for diffusion models. Our solver estimates the first three-order moments and optimizes the parameters of a Gaussian mixture transition kernel using generalized methods of moments in each step during sampling. Empirically, our solver outperforms numerous SDE-based solvers in terms of sample quality in image generation and stroke-based synthesis in various diffusion models, which validates the motivation and effectiveness of GMS. Our code is available at https://github.com/Guohanzhong/GMS.
Trade-off Between Efficiency and Consistency for Removal-based Explanations
Authors: Yifan Zhang, Haowei He, Zhiquan Tan, Yang Yuan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In the current landscape of explanation methodologies, most predominant approaches, such as SHAP and LIME, employ removal-based techniques to evaluate the impact of individual features by simulating various scenarios with specific features omitted. Nonetheless, these methods primarily emphasize efficiency in the original context, often resulting in general inconsistencies. In this paper, we demonstrate that such inconsistency is an inherent aspect of these approaches by establishing the Impossible Trinity Theorem, which posits that interpretability, efficiency, and consistency cannot hold simultaneously. Recognizing that the attainment of an ideal explanation remains elusive, we propose the utilization of interpretation error as a metric to gauge inefficiencies and inconsistencies. To this end, we present two novel algorithms founded on the standard polynomial basis, aimed at minimizing interpretation error. Our empirical findings indicate that the proposed methods achieve a substantial reduction in interpretation error, up to 31.8 times lower when compared to alternative techniques.
QuACK: Accelerating Gradient-Based Quantum Optimization with Koopman Operator Learning
Authors: Di Luo, Jiayu Shen, Rumen Dangovski, Marin Soljacic
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Quantum optimization, a key application of quantum computing, has traditionally been stymied by the linearly increasing complexity of gradient calculations with an increasing number of parameters. This work bridges the gap between Koopman operator theory, which has found utility in applications because it allows for a linear representation of nonlinear dynamical systems, and natural gradient methods in quantum optimization, leading to a significant acceleration of gradient-based quantum optimization. We present Quantum-circuit Alternating Controlled Koopman learning (QuACK), a novel framework that leverages an alternating algorithm for efficient prediction of gradient dynamics on quantum computers. We demonstrate QuACK's remarkable ability to accelerate gradient-based optimization across a range of applications in quantum optimization and machine learning. In fact, our empirical studies, spanning quantum chemistry, quantum condensed matter, quantum machine learning, and noisy environments, have shown accelerations of more than 200x speedup in the overparameterized regime, 10x speedup in the smooth regime, and 3x speedup in the non-smooth regime. With QuACK, we offer a robust advancement that harnesses the advantage of gradient-based quantum optimization for practical benefits.
Provably Robust Temporal Difference Learning for Heavy-Tailed Rewards
Authors: Semih Cayci, Atilla Eryilmaz
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In a broad class of reinforcement learning applications, stochastic rewards have heavy-tailed distributions, which lead to infinite second-order moments for stochastic (semi)gradients in policy evaluation and direct policy optimization. In such instances, the existing RL methods may fail miserably due to frequent statistical outliers. In this work, we establish that temporal difference (TD) learning with a dynamic gradient clipping mechanism, and correspondingly operated natural actor-critic (NAC), can be provably robustified against heavy-tailed reward distributions. It is shown in the framework of linear function approximation that a favorable tradeoff between bias and variability of the stochastic gradients can be achieved with this dynamic gradient clipping mechanism. In particular, we prove that robust versions of TD learning achieve sample complexities of order $\mathcal{O}(\varepsilon^{-\frac{1}{p}})$ and $\mathcal{O}(\varepsilon^{-1-\frac{1}{p}})$ with and without the full-rank assumption on the feature matrix, respectively, under heavy-tailed rewards with finite moments of order $(1+p)$ for some $p\in(0,1]$, both in expectation and with high probability. We show that a robust variant of NAC based on Robust TD learning achieves $\tilde{\mathcal{O}}(\varepsilon^{-4-\frac{2}{p}})$ sample complexity. We corroborate our theoretical results with numerical experiments.
Train Faster, Perform Better: Modular Adaptive Training in Over-Parameterized Models
Authors: Yubin Shi, Yixuan Chen, Mingzhi Dong, Xiaochen Yang, Dongsheng Li, Yujiang Wang, Robert Dick, Qin Lv, Yingying Zhao, Fan Yang, Tun Lu, Ning Gu, Li Shang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Despite their prevalence in deep-learning communities, over-parameterized models convey high demands of computational costs for proper training. This work studies the fine-grained, modular-level learning dynamics of over-parameterized models to attain a more efficient and fruitful training strategy. Empirical evidence reveals that when scaling down into network modules, such as heads in self-attention models, we can observe varying learning patterns implicitly associated with each module's trainability. To describe such modular-level learning capabilities, we introduce a novel concept dubbed modular neural tangent kernel (mNTK), and we demonstrate that the quality of a module's learning is tightly associated with its mNTK's principal eigenvalue $\lambda_{\max}$. A large $\lambda_{\max}$  indicates that the module learns features with better convergence, while those miniature ones may impact generalization negatively. Inspired by the discovery, we propose a novel training strategy termed Modular Adaptive Training (MAT) to update those modules with their $\lambda_{\max}$ exceeding a dynamic threshold selectively, concentrating the model on learning common features and ignoring those inconsistent ones. Unlike most existing training schemes with a complete BP cycle across all network modules, MAT can significantly save computations by its partially-updating strategy and can further improve performance. Experiments show that MAT nearly halves the computational cost of model training and outperforms the accuracy of baselines.
Class-Distribution-Aware Pseudo-Labeling for Semi-Supervised Multi-Label Learning
Authors: Ming-Kun Xie, Jiahao Xiao, Hao-Zhe Liu, Gang Niu, Masashi Sugiyama, Sheng-Jun Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Pseudo-labeling has emerged as a popular and effective approach for utilizing unlabeled data. However, in the context of semi-supervised multi-label learning (SSMLL), conventional pseudo-labeling methods encounter difficulties when dealing with instances associated with multiple labels and an unknown label count. These limitations often result in the introduction of false positive labels or the neglect of true positive ones. To overcome these challenges, this paper proposes a novel solution called Class-Aware Pseudo-Labeling (CAP) that performs pseudo-labeling in a class-aware manner. The proposed approach introduces a regularized learning framework incorporating class-aware thresholds, which effectively control the assignment of positive and negative pseudo-labels for each class. Notably, even with a small proportion of labeled examples, our observations demonstrate that the estimated class distribution serves as a reliable approximation. Motivated by this finding, we develop a class-distribution-aware thresholding strategy to ensure the alignment of pseudo-label distribution with the true distribution. The correctness of the estimated class distribution is theoretically verified, and a generalization error bound is provided for our proposed method. Extensive experiments on multiple benchmark datasets confirm the efficacy of CAP in addressing the challenges of SSMLL problems.
Adaptive Data Analysis in a Balanced Adversarial Model
Authors: Kobbi Nissim, Uri Stemmer, Eliad Tsfadia
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In adaptive data analysis, a mechanism gets $n$ i.i.d. samples from an unknown distribution $\cal{D}$, andis required to provide accurate estimations to a sequence of adaptively chosen statistical queries with respect to $\cal{D}$.Hardt and Ullman (FOCS 2014) and Steinke and Ullman (COLT 2015) showed that in general, it is computationally hard to answer more than $\Theta(n^2)$ adaptive queries, assuming the existence of one-way functions. However, these negative results strongly rely on an adversarial model that significantly advantages the adversarial analyst over the mechanism, as the analyst, who chooses the adaptive queries, also chooses the underlying distribution $\cal{D}$. This imbalance raises questions with respect to the applicability of the obtained hardness results -- an analyst who has complete knowledge of the underlying distribution $\cal{D}$ would have little need, if at all, to issue statistical queries to a mechanism which only holds a finite number of samples from $\cal{D}$.We consider more restricted adversaries, called \emph{balanced}, where each such adversary consists of two separated algorithms: The \emph{sampler} who is the entity that chooses the distribution and provides the samples to the mechanism, and the \emph{analyst} who chooses the adaptive queries, but has no prior knowledge of the underlying distribution (and hence has no a priori advantage with respect to the mechanism). We improve the quality of previous lower bounds by revisiting them using an efficient \emph{balanced} adversary, under standard public-key cryptography assumptions. We show that these stronger hardness assumptions are unavoidable in the sense that any computationally bounded \emph{balanced} adversary that has the structure of all known attacks, implies the existence of public-key cryptography.
Accelerating Molecular Graph Neural Networks via Knowledge Distillation
Authors: Filip Ekström Kelvinius, Dimitar Georgiev, Artur Toshev, Johannes Gasteiger
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent advances in graph neural networks (GNNs) have enabled more comprehensive modeling of molecules and molecular systems, thereby enhancing the precision of molecular property prediction and molecular simulations. Nonetheless, as the field has been progressing to bigger and more complex architectures, state-of-the-art GNNs have become largely prohibitive for many large-scale applications. In this paper, we explore the utility of knowledge distillation (KD) for accelerating molecular GNNs. To this end, we devise KD strategies that facilitate the distillation of hidden representations in directional and equivariant GNNs, and evaluate their performance on the regression task of energy and force prediction. We validate our protocols across different teacher-student configurations and datasets, and demonstrate that they can consistently boost the predictive accuracy of student models without any modifications to their architecture. Moreover, we conduct comprehensive optimization of various components of our framework, and investigate the potential of data augmentation to further enhance performance. All in all, we manage to close the gap in predictive accuracy between teacher and student models by as much as 96.7\% and 62.5\% for energy and force prediction respectively, while fully preserving the inference throughput of the more lightweight models.
No Train No Gain: Revisiting Efficient Training Algorithms For Transformer-based Language Models
Authors: Jean Kaddour, Oscar Key, Piotr Nawrot, Pasquale Minervini, Matt J Kusner
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The computation necessary for training Transformer-based language models has skyrocketed in recent years.This trend has motivated research on efficient training algorithms designed to improve training, validation, and downstream performance faster than standard training. In this work, we revisit three categories of such algorithms: dynamic architectures (layer stacking, layer dropping), batch selection (selective backprop., RHO-loss), and efficient optimizers (Lion, Sophia). When pre-training BERT and T5 with a fixed computation budget using such methods, we find that their training, validation, and downstream gains vanish compared to a baseline with a fully-decayed learning rate. We define an evaluation protocol that enables computation to be done on arbitrary machines by mapping all computation time to a reference machine which we call reference system time. We discuss the limitations of our proposed protocol and release our code to encourage rigorous research in efficient training procedures: https://github.com/JeanKaddour/NoTrainNoGain.
Layer-Neighbor Sampling --- Defusing Neighborhood Explosion in GNNs
Authors: Muhammed Fatih Balin, Ümit Çatalyürek
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Graph Neural Networks (GNNs) have received significant attention recently, but training them at a large scale remains a challenge.Mini-batch training coupled with sampling is used to alleviate this challenge.However, existing approaches either suffer from the neighborhood explosion phenomenon or have suboptimal performance. To address these issues, we propose a new sampling algorithm called LAyer-neighBOR sampling (LABOR). It is designed to be a direct replacement for Neighbor Sampling (NS) with the same fanout hyperparameter while sampling up to 7 times fewer vertices, without sacrificing quality.By design, the variance of the estimator of each vertex matches NS from the point of view of a single vertex.Moreover, under the same vertex sampling budget constraints, LABOR converges faster than existing layer sampling approaches and can use up to 112 times larger batch sizes compared to NS.
Undirected Probabilistic Model for Tensor Decomposition
Authors: Zerui Tao, Toshihisa Tanaka, Qibin Zhao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Tensor decompositions (TDs) serve as a powerful tool for analyzing multiway data. Traditional TDs incorporate prior knowledge about the data into the model, such as a directed generative process from latent factors to observations. In practice, selecting proper structural or distributional assumptions beforehand is crucial for obtaining a promising TD representation. However, since such prior knowledge is typically unavailable in real-world applications, choosing an appropriate TD model can be challenging. This paper aims to address this issue by introducing a flexible TD framework that discards the structural and distributional assumptions, in order to learn as much information from the data. Specifically, we construct a TD model that captures the joint probability of the data and latent tensor factors through a deep energy-based model (EBM). Neural networks are then employed to parameterize the joint energy function of tensor factors and tensor entries. The flexibility of EBM and neural networks enables the learning of underlying structures and distributions. In addition, by designing the energy function, our model unifies the learning process of different types of tensors, such as static tensors and dynamic tensors with time stamps. The resulting model presents a doubly intractable nature due to the presence of latent tensor factors and the unnormalized probability function. To efficiently train the model, we derive a variational upper bound of the conditional noise-contrastive estimation objective that learns the unnormalized joint probability by distinguishing data from conditional noises. We show advantages of our model on both synthetic and several real-world datasets.