NeurIPS 2023 论文列表

Intersection over Union (IoU) losses are surrogates that directly optimize the Jaccard index. Leveraging IoU losses as part of the loss function have demonstrated superior performance in semantic segmentation tasks compared to optimizing pixel-wise losses such as the cross-entropy loss alone. However, we identify a lack of flexibility in these losses to support vital training techniques like label smoothing, knowledge distillation, and semi-supervised learning, mainly due to their inability to process soft labels. To address this, we introduce Jaccard Metric Losses (JMLs), which are identical to the soft Jaccard loss in standard settings with hard labels but are fully compatible with soft labels. We apply JMLs to three prominent use cases of soft labels: label smoothing, knowledge distillation and semi-supervised learning, and demonstrate their potential to enhance model accuracy and calibration. Our experiments show consistent improvements over the cross-entropy loss across 4 semantic segmentation datasets (Cityscapes, PASCAL VOC, ADE20K, DeepGlobe Land) and 13 architectures, including classic CNNs and recent vision transformers. Remarkably, our straightforward approach significantly outperforms state-of-the-art knowledge distillation and semi-supervised learning methods. The code is available at \href{https://github.com/zifuwanggg/JDTLosses}{https://github.com/zifuwanggg/JDTLosses}.

Most linear experimental design problems assume homogeneous variance, while the presence of heteroskedastic noise is present in many realistic settings. Let a learner have access to a finite set of measurement vectors $\mathcal{X}\subset \mathbb{R}^d$ that can be probed to receive noisy linear responses of the form $y=x^{\top}\theta^{\ast}+\eta$. Here $\theta^{\ast}\in \mathbb{R}^d$ is an unknown parameter vector, and $\eta$ is independent mean-zero $\sigma_x^2$-sub-Gaussian noise defined by a flexible heteroskedastic variance model, $\sigma_x^2 = x^{\top}\Sigma^{\ast}x$. Assuming that $\Sigma^{\ast}\in \mathbb{R}^{d\times d}$ is an unknown matrix, we propose, analyze and empirically evaluate a novel design for uniformly bounding estimation error of the variance parameters, $\sigma_x^2$. We demonstrate this method on two adaptive experimental design problems under heteroskedastic noise, fixed confidence transductive best-arm identification and level-set identification and prove the first instance-dependent lower bounds in these settings. Lastly, we construct near-optimal algorithms and demonstrate the large improvements in sample complexity gained from accounting for heteroskedastic variance in these designs empirically.

Systematic compositionality, or the ability to adapt to novel situations by creating a mental model of the world using reusable pieces of knowledge, remains a significant challenge in machine learning. While there has been considerable progress in the language domain, efforts towards systematic visual imagination, or envisioning the dynamical implications of a visual observation, are in their infancy. We introduce the Systematic Visual Imagination Benchmark (SVIB), the first benchmark designed to address this problem head-on. SVIB offers a novel framework for a minimal world modeling problem, where models are evaluated based on their ability to generate one-step image-to-image transformations under a latent world dynamics. The framework provides benefits such as the possibility to jointly optimize for systematic perception and imagination, a range of difficulty levels, and the ability to control the fraction of possible factor combinations used during training. We provide a comprehensive evaluation of various baseline models on SVIB, offering insight into the current state-of-the-art in systematic visual imagination. We hope that this benchmark will help advance visual systematic compositionality.

Stochastic Gradient Descent (SGD) is arguably the most important single algorithm in modern machine learning. Although SGD with unbiased gradient estimators has been studied extensively over at least half a century, SGD variants relying on biased estimators are rare. Nevertheless, there has been an increased interest in this topic in recent years. However, existing literature on SGD with biased estimators lacks coherence since each new paper relies on a different set of assumptions, without any clear understanding of how they are connected, which may lead to confusion. We address this gap by establishing connections among the existing assumptions, and presenting a comprehensive map of the underlying relationships. Additionally, we introduce a new set of assumptions that is provably weaker than all previous assumptions, and use it to present a thorough analysis of BiasedSGD in both convex and non-convex settings, offering advantages over previous results. We also provide examples where biased estimators outperform their unbiased counterparts or where unbiased versions are simply not available. Finally, we demonstrate the effectiveness of our framework through experimental results that validate our theoretical findings.

Chain-of-thought prompting (CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models (LLMs) to perform step-by-step reasoning on complex math-related tasks. However, most existing math reasoning datasets may not be able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they often only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps, thus supporting only outcome evaluation. To address the issue, we construct **CARP**, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps, facilitating the evaluation of the intermediate reasoning process. In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to incorrect answers. Based on this finding, we propose a new approach that can facilitate the deliberation on reasoning steps with tool interfaces, namely **DELI**. In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from both tool manipulation and natural language reasoning perspectives, until solutions converge or the maximum iteration is achieved. Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods. Our data and code are available at https://github.com/RUCAIBox/CARP.

We investigate safe multi-agent reinforcement learning, where agents seek to collectively maximize an aggregate sum of local objectives while satisfying their own safety constraints. The objective and constraints are described by general utilities, i.e., nonlinear functions of the long-term state-action occupancy measure, which encompass broader decision-making goals such as risk, exploration, or imitations. The exponential growth of the state-action space size with the number of agents presents challenges for global observability, further exacerbated by the global coupling arising from agents' safety constraints. To tackle this issue, we propose a primal-dual method utilizing shadow reward and $\kappa$-hop neighbor truncation under a form of correlation decay property, where $\kappa$ is the communication radius. In the exact setting, our algorithm converges to a first-order stationary point (FOSP) at the rate of $\mathcal{O}\left(T^{-2/3}\right)$. In the sample-based setting, we demonstrate that, with high probability, our algorithm requires $\widetilde{\mathcal{O}}\left(\epsilon^{-3.5}\right)$ samples to achieve an $\epsilon$-FOSP with an approximation error of $\mathcal{O}(\phi_0^{2\kappa})$, where $\phi_0\in (0,1)$. Finally, we demonstrate the effectiveness of our model through extensive numerical experiments.

Training recurrent neural networks (RNNs) has become a go-to approach for generating and evaluating mechanistic neural hypotheses for cognition. The ease and efficiency of training RNNs with backpropagation through time and the availability of robustly supported deep learning libraries has made RNN modeling more approachable and accessible to neuroscience. Yet, a major technical hindrance remains. Cognitive processes such as working memory and decision making involve neural population dynamics over a long period of time within a behavioral trial and across trials. It is difficult to train RNNs to accomplish tasks where neural representations and dynamics have long temporal dependencies without gating mechanisms such as LSTMs or GRUs which currently lack experimental support and prohibit direct comparison between RNNs and biological neural circuits. We tackled this problem based on the idea of specialized skip-connections through time to support the emergence of task-relevant dynamics, and subsequently reinstitute biological plausibility by reverting to the original architecture. We show that this approach enables RNNs to successfully learn cognitive tasks that prove impractical if not impossible to learn using conventional methods. Over numerous tasks considered here, we achieve less training steps and shorter wall-clock times, particularly in tasks that require learning long-term dependencies via temporal integration over long timescales or maintaining a memory of past events in hidden-states. Our methods expand the range of experimental tasks that biologically plausible RNN models can learn, thereby supporting the development of theory for the emergent neural mechanisms of computations involving long-term dependencies.

Vision-language models, such as contrastive language-image pre-training (CLIP), have demonstrated impressive results in natural image domains. However, these models often struggle when applied to specialized domains like remote sensing, and adapting to such domains is challenging due to the limited number of image-text pairs available for training. To address this, we propose S-CLIP, a semi-supervised learning method for training CLIP that utilizes additional unpaired images. S-CLIP employs two pseudo-labeling strategies specifically designed for contrastive learning and the language modality. The caption-level pseudo-label is given by a combination of captions of paired images, obtained by solving an optimal transport problem between unpaired and paired images. The keyword-level pseudo-label is given by a keyword in the caption of the nearest paired image, trained through partial label learning that assumes a candidate set of labels for supervision instead of the exact one. By combining these objectives, S-CLIP significantly enhances the training of CLIP using only a few image-text pairs, as demonstrated in various specialist domains, including remote sensing, fashion, scientific figures, and comics. For instance, S-CLIP improves CLIP by 10% for zero-shot classification and 4% for image-text retrieval on the remote sensing benchmark, matching the performance of supervised CLIP while using three times fewer image-text pairs.

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.

For embodied reinforcement learning (RL) agents interacting with the environment, it is desirable to have rapid policy adaptation to unseen visual observations, but achieving zero-shot adaptation capability is considered as a challenging problem in the RL context. To address the problem, we present a novel contrastive prompt ensemble (ConPE) framework which utilizes a pretrained vision-language model and a set of visual prompts, thus enables efficient policy learning and adaptation upon a wide range of environmental and physical changes encountered by embodied agents. Specifically, we devise a guided-attention-based ensemble approach with multiple visual prompts on the vision-language model to construct robust state representations. Each prompt is contrastively learned in terms of an individual domain factors that significantly affects the agent's egocentric perception and observation. For a given task, the attention-based ensemble and policy are jointly learned so that the resulting state representations not only generalize to various domains but are also optimized for learning the task. Through experiments, we show that ConPE outperforms other state-of-the-art algorithms for several embodied agent tasks including navigation in AI2THOR, manipulation in Metaworld, and autonomous driving in CARLA, while also improving the sample efficiency of policy learning and adaptation.

Higher-order relations are widespread in nature, with numerous phenomena involving complex interactions that extend beyond simple pairwise connections. As a result, advancements in higher-order processing can accelerate the growth of various fields requiring structured data. Current approaches typically represent these interactions using hypergraphs. We enhance this representation by introducing cellular sheaves for hypergraphs, a mathematical construction that adds extra structure to the conventional hypergraph while maintaining their local, higher-order connectivity. Drawing inspiration from existing Laplacians in the literature, we develop two unique formulations of sheaf hypergraph Laplacians: linear and non-linear. Our theoretical analysis demonstrates that incorporating sheaves into the hypergraph Laplacian provides a more expressive inductive bias than standard hypergraph diffusion, creating a powerful instrument for effectively modelling complex data structures. We employ these sheaf hypergraph Laplacians to design two categories of models: Sheaf Hypergraph Neural Networks and Sheaf Hypergraph Convolutional Networks. These models generalize classical Hypergraph Networks often found in the literature. Through extensive experimentation, we show that this generalization significantly improves performance, achieving top results on multiple benchmark datasets for hypergraph node classification.

In a model inversion (MI) attack, an adversary abuses access to a machine learning (ML) model to infer and reconstruct private training data. Remarkable progress has been made in the white-box and black-box setups, where the adversary has access to the complete model or the model's soft output respectively. However, there is very limited study in the most challenging but practically important setup: Label-only MI attacks, where the adversary only has access to the model's predicted label (hard label) without confidence scores nor any other model information. In this work, we propose LOKT, a novel approach for label-only MI attacks. Our idea is based on transfer of knowledge from the opaque target model to surrogate models. Subsequently, using these surrogate models, our approach can harness advanced white-box attacks. We propose knowledge transfer based on generative modelling, and introduce a new model, Target model-assisted ACGAN (T-ACGAN), for effective knowledge transfer. Our method casts the challenging label-only MI into the more tractable white-box setup. We provide analysis to support that surrogate models based on our approach serve as effective proxies for the target model for MI. Our experiments show that our method significantly outperforms existing SOTA Label-only MI attack by more than 15% across all MI benchmarks. Furthermore, our method compares favorably in terms of query budget. Our study highlights rising privacy threats for ML models even when minimal information (i.e., hard labels) is exposed. Our study highlights rising privacy threats for ML models even when minimal information (i.e., hard labels) is exposed. Our code, demo, models and reconstructed data are available at our project page: https://ngoc-nguyen-0.github.io/lokt/

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.

Understanding the learned representation and underlying mechanisms of Self-Supervised Learning (SSL) often poses a challenge. In this paper, we ‘reverse engineer’ SSL, conducting an in-depth empirical analysis of its learned internal representations, encompassing diverse models, architectures, and hyperparameters. Our study reveals an intriguing process within the SSL training: an inherent facilitation of semantic label-based clustering, which is surprisingly driven by the regularization component of the SSL objective. This clustering not only enhances downstream classification, but also compresses the information. We further illustrate that the alignment of the SSL-trained representation is more pronounced with semantic classes rather than random functions. Remarkably, the learned representations align with semantic classes across various hierarchical levels, with this alignment intensifying when going deeper into the network. This ‘reverse engineering’ approach provides valuable insights into the inner mechanism of SSL and their influences on the performance across different class sets.

Best Arm Identification (BAI) problems are progressively used for data-sensitive applications, such as designing adaptive clinical trials, tuning hyper-parameters, and conducting user studies to name a few. Motivated by the data privacy concerns invoked by these applications, we study the problem of BAI with fixed confidence under $\epsilon$-global Differential Privacy (DP). First, to quantify the cost of privacy, we derive a lower bound on the sample complexity of any $\delta$-correct BAI algorithm satisfying $\epsilon$-global DP. Our lower bound suggests the existence of two privacy regimes depending on the privacy budget $\epsilon$. In the high-privacy regime (small $\epsilon$), the hardness depends on a coupled effect of privacy and a novel information-theoretic quantity, called the Total Variation Characteristic Time. In the low-privacy regime (large $\epsilon$), the sample complexity lower bound reduces to the classical non-private lower bound. Second, we propose AdaP-TT, an $\epsilon$-global DP variant of the Top Two algorithm. AdaP-TT runs in *arm-dependent adaptive episodes* and adds *Laplace noise* to ensure a good privacy-utility trade-off. We derive an asymptotic upper bound on the sample complexity of AdaP-TT that matches with the lower bound up to multiplicative constants in the high-privacy regime. Finally, we provide an experimental analysis of AdaP-TT that validates our theoretical results.

Stochastic gradient descent (SGD) algorithm is the method of choice in many machine learning tasks thanks to its scalability and efficiency in dealing with large-scale problems. In this paper, we focus on the shuffling version of SGD which matches the mainstream practical heuristics. We show the convergence to a global solution of shuffling SGD for a class of non-convex functions under over-parameterized settings. Our analysis employs more relaxed non-convex assumptions than previous literature. Nevertheless, we maintain the desired computational complexity as shuffling SGD has achieved in the general convex setting.

Various deep learning models have been proposed for 3D bone shape reconstruction from two orthogonal (biplanar) X-ray images. However, it is unclear how these models compare against each other since they are evaluated on different anatomy, cohort and (often privately held) datasets. Moreover, the impact of the commonly optimized image-based segmentation metrics such as dice score on the estimation of clinical parameters relevant in 2D-3D bone shape reconstruction is not well known. To move closer toward clinical translation, we propose a benchmarking framework that evaluates tasks relevant to real-world clinical scenarios, including reconstruction of fractured bones, bones with implants, robustness to population shift, and error in estimating clinical parameters. Our open-source platform provides reference implementations of 8 models (many of whose implementations were not publicly available), APIs to easily collect and preprocess 6 public datasets, and the implementation of automatic clinical parameter and landmark extraction methods. We present an extensive evaluation of 8 2D-3D models on equal footing using 6 public datasets comprising images for four different anatomies. Our results show that attention-based methods that capture global spatial relationships tend to perform better across all anatomies and datasets; performance on clinically relevant subgroups may be overestimated without disaggregated reporting; ribs are substantially more difficult to reconstruct compared to femur, hip and spine; and the dice score improvement does not always bring corresponding improvement in the automatic estimation of clinically relevant parameters.

Data augmentation has been proven effective for training high-accuracy convolutional neural network classifiers by preventing overfitting. However, building deep neural networks in real-world scenarios requires not only high accuracy on clean data but also robustness when data distributions shift. While prior methods have proposed that there is a trade-off between accuracy and robustness, we propose IPMix, a simple data augmentation approach to improve robustness without hurting clean accuracy. IPMix integrates three levels of data augmentation (image-level, patch-level, and pixel-level) into a coherent and label-preserving technique to increase the diversity of training data with limited computational overhead. To further improve the robustness, IPMix introduces structural complexity at different levels to generate more diverse images and adopts the random mixing method for multi-scale information fusion. Experiments demonstrate that IPMix outperforms state-of-the-art corruption robustness on CIFAR-C and ImageNet-C. In addition, we show that IPMix also significantly improves the other safety measures, including robustness to adversarial perturbations, calibration, prediction consistency, and anomaly detection, achieving state-of-the-art or comparable results on several benchmarks, including ImageNet-R, ImageNet-A, and ImageNet-O.

People are adept at learning a wide variety of structured patterns from small amounts of data, presenting a conundrum from the standpoint of the bias-variance tradeoff: what kinds of representations and algorithms support the joint flexibility and data-paucity of human learning? One possibility is that people "learn by programming": inducing probabilistic models to fit observed data. Here, we experimentally test human learning in the domain of structured 2-dimensional patterns, using a task in which participants repeatedly predicted where a dot would move based on its previous trajectory. We evaluate human performance against standard parametric and non-parametric time-series models, as well as two Bayesian program synthesis models whose hypotheses vary in their degree of structure: a compositional Gaussian Process model and a structured "Language of Thought" (LoT) model. We find that signatures of human pattern learning are best explained by the LoT model, supporting the idea that the flexibility and data-efficiency of human structure learning can be understood as probabilistic inference over an expressive space of programs.