NeurIPS 2023 Papers

Quantifying dependence between high-dimensional random variables is central to statistical learning and inference. Two classical methods are canonical correlation analysis (CCA), which identifies maximally correlated projected versions of the original variables, and Shannon's mutual information, which is a universal dependence measure that also captures high-order dependencies. However, CCA only accounts for linear dependence, which may be insufficient for certain applications, while mutual information is often infeasible to compute/estimate in high dimensions. This work proposes a middle ground in the form of a scalable information-theoretic generalization of CCA, termed max-sliced mutual information (mSMI). mSMI equals the maximal mutual information between low-dimensional projections of the high-dimensional variables, which reduces back to CCA in the Gaussian case. It enjoys the best of both worlds: capturing intricate dependencies in the data while being amenable to fast computation and scalable estimation from samples. We show that mSMI retains favorable structural properties of Shannon's mutual information, like variational forms and identification of independence. We then study statistical estimation of mSMI, propose an efficiently computable neural estimator, and couple it with formal non-asymptotic error bounds. We present experiments that demonstrate the utility of mSMI for several tasks, encompassing independence testing, multi-view representation learning, algorithmic fairness, and generative modeling. We observe that mSMI consistently outperforms competing methods with little-to-no computational overhead.

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.

Ant Colony Optimization (ACO) is a meta-heuristic algorithm that has been successfully applied to various Combinatorial Optimization Problems (COPs). Traditionally, customizing ACO for a specific problem requires the expert design of knowledge-driven heuristics. In this paper, we propose DeepACO, a generic framework that leverages deep reinforcement learning to automate heuristic designs. DeepACO serves to strengthen the heuristic measures of existing ACO algorithms and dispense with laborious manual design in future ACO applications. As a neural-enhanced meta-heuristic, DeepACO consistently outperforms its ACO counterparts on eight COPs using a single neural model and a single set of hyperparameters. As a Neural Combinatorial Optimization method, DeepACO performs better than or on par with problem-specific methods on canonical routing problems. Our code is publicly available at https://github.com/henry-yeh/DeepACO.

Data imbalance and open-ended distribution are two intrinsic characteristics of the real visual world. Though encouraging progress has been made in tackling each challenge separately, few works dedicated to combining them towards real-world scenarios. While several previous works have focused on classifying close-set samples and detecting open-set samples during testing, it's still essential to be able to classify unknown subjects as human beings. In this paper, we formally define a more realistic task as distribution-agnostic generalized category discovery (DA-GCD): generating fine-grained predictions for both close- and open-set classes in a long-tailed open-world setting. To tackle the challenging problem, we propose a Self-**Ba**lanced **Co**-Advice co**n**trastive framework (BaCon), which consists of a contrastive-learning branch and a pseudo-labeling branch, working collaboratively to provide interactive supervision to resolve the DA-GCD task. In particular, the contrastive-learning branch provides reliable distribution estimation to regularize the predictions of the pseudo-labeling branch, which in turn guides contrastive learning through self-balanced knowledge transfer and a proposed novel contrastive loss. We compare BaCon with state-of-the-art methods from two closely related fields: imbalanced semi-supervised learning and generalized category discovery. The effectiveness of BaCon is demonstrated with superior performance over all baselines and comprehensive analysis across various datasets. Our code is publicly available.

ReLU networks have remained the default choice for models in the area of image prediction despite their well-established spectral bias towards learning low frequencies faster, and consequently their difficulty of reproducing high frequency visual details. As an alternative, sin networks showed promising results in learning implicit representations of visual data. However training these networks in practically relevant settings proved to be difficult, requiring careful initialization, dealing with issues due to inconsistent gradients, and a degeneracy in local minima. In this work, we instead propose replacing a baseline network’s existing activations with a novel ensemble function with trainable parameters. The proposed MetaSin activation can be trained reliably without requiring intricate initialization schemes, and results in consistently lower test loss compared to alternatives. We demonstrate our method in the areas of Monte-Carlo denoising and image resampling where we set new state-of-the-art through a knowledge distillation based training procedure. We present ablations on hyper-parameter settings, comparisons with alternative activation function formulations, and discuss the use of our method in other domains, such as image classification.

In recent years, knowledge distillation methods based on contrastive learning have achieved promising results on image classification and object detection tasks. However, in this line of research, we note that less attention is paid to semantic segmentation. Existing methods heavily rely on data augmentation and memory buffer, which entail high computational resource demands when applying them to handle semantic segmentation that requires to preserve high-resolution feature maps for making dense pixel-wise predictions. In order to address this problem, we present Augmentation-free Dense Contrastive Knowledge Distillation (Af-DCD), a new contrastive distillation learning paradigm to train compact and accurate deep neural networks for semantic segmentation applications. Af-DCD leverages a masked feature mimicking strategy, and formulates a novel contrastive learning loss via taking advantage of tactful feature partitions across both channel and spatial dimensions, allowing to effectively transfer dense and structured local knowledge learnt by the teacher model to a target student model while maintaining training efficiency. Extensive experiments on five mainstream benchmarks with various teacher-student network pairs demonstrate the effectiveness of our approach. For instance, DeepLabV3-Res18|DeepLabV3-MBV2 model trained by Af-DCD reaches 77.03\%|76.38\% mIOU on Cityscapes dataset when choosing DeepLabV3-Res101 as the teacher, setting new performance records. Besides that, Af-DCD achieves an absolute mIOU improvement of 3.26\%|3.04\%|2.75\%|2.30\%|1.42\% compared with individually trained counterpart on Cityscapes|Pascal VOC|Camvid|ADE20K|COCO-Stuff-164K. Code is available at https://github.com/OSVAI/Af-DCD.

Self-play is a technique for machine learning in multi-agent systems where a learning algorithm learns by interacting with copies of itself. Self-play is useful for generating large quantities of data for learning, but has the drawback that the agents the learner will face post-training may have dramatically different behavior than the learner came to expect by interacting with itself. For the special case of two-player constant-sum games, self-play that reaches Nash equilibrium is guaranteed to produce strategies that perform well against any post-training opponent; however, no such guarantee exists for multiplayer games. We show that in games that approximately decompose into a set of two-player constant-sum games (called constant-sum polymatrix games) where global $\epsilon$-Nash equilibria are boundedly far from Nash equilibria in each subgame (called subgame stability), any no-external-regret algorithm that learns by self-play will produce a strategy with bounded vulnerability. For the first time, our results identify a structural property of multiplayer games that enable performance guarantees for the strategies produced by a broad class of self-play algorithms. We demonstrate our findings through experiments on Leduc poker.

In high-stakes domains such as legal, banking, hiring, and healthcare, learning models frequently rely on sensitive user information for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This study asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

Embedding-based neural topic models have turned out to be a superior option for low-resourced topic modeling. However, current approaches consider static word embeddings learnt from source tasks as general knowledge that can be transferred directly to the target task, discounting the dynamically changing nature of word meanings in different contexts, thus typically leading to sub-optimal results when adapting to new tasks with unfamiliar contexts. To settle this issue, we provide an effective method that centers on adaptively generating semantically tailored word embeddings for each task by fully exploiting contextual information. Specifically, we first condense the contextual syntactic dependencies of words into a semantic graph for each task, which is then modeled by a Variational Graph Auto-Encoder to produce task-specific word representations. On this basis, we further impose a learnable Gaussian mixture prior on the latent space of words to efficiently learn topic representations from a clustering perspective, which contributes to diverse topic discovery and fast adaptation to novel tasks. We have conducted a wealth of quantitative and qualitative experiments, and the results show that our approach comprehensively outperforms established topic models.

Discovering achievements with a hierarchical structure in procedurally generated environments presents a significant challenge. This requires an agent to possess a broad range of abilities, including generalization and long-term reasoning. Many prior methods have been built upon model-based or hierarchical approaches, with the belief that an explicit module for long-term planning would be advantageous for learning hierarchical dependencies. However, these methods demand an excessive number of environment interactions or large model sizes, limiting their practicality. In this work, we demonstrate that proximal policy optimization (PPO), a simple yet versatile model-free algorithm, outperforms previous methods when optimized with recent implementation practices. Moreover, we find that the PPO agent can predict the next achievement to be unlocked to some extent, albeit with limited confidence. Based on this observation, we introduce a novel contrastive learning method, called achievement distillation, which strengthens the agent's ability to predict the next achievement. Our method exhibits a strong capacity for discovering hierarchical achievements and shows state-of-the-art performance on the challenging Crafter environment in a sample-efficient manner while utilizing fewer model parameters.

Recent methods in geometric deep learning have introduced various neural networks to operate over data that lie on Riemannian manifolds. Such networks are often necessary to learn well over graphs with a hierarchical structure or to learn over manifold-valued data encountered in the natural sciences. These networks are often inspired by and directly generalize standard Euclidean neural networks. However, extending Euclidean networks is difficult and has only been done for a select few manifolds. In this work, we examine the residual neural network (ResNet) and show how to extend this construction to general Riemannian manifolds in a geometrically principled manner. Originally introduced to help solve the vanishing gradient problem, ResNets have become ubiquitous in machine learning due to their beneficial learning properties, excellent empirical results, and easy-to-incorporate nature when building varied neural networks. We find that our Riemannian ResNets mirror these desirable properties: when compared to existing manifold neural networks designed to learn over hyperbolic space and the manifold of symmetric positive definite matrices, we outperform both kinds of networks in terms of relevant testing metrics and training dynamics.

Motion planning, which aims to find a high-quality collision-free path in the configuration space, is a fundamental task in robotic systems. Recently, learning-based motion planners, especially the graph neural network-powered, have shown promising planning performance. However, though the state-of-the-art GNN planner can efficiently extract and learn graph information, its inherent mechanism is not well suited for graph search process, hindering its further performance improvement. To address this challenge and fully unleash the potential of GNN in motion planning, this paper proposes GraphMP, a neural motion planner for both low and high-dimensional planning tasks. With the customized model architecture and training mechanism design, GraphMP can simultaneously perform efficient graph pattern extraction and graph search processing, leading to strong planning performance. Experiments on a variety of environments, ranging from 2D Maze to 14D dual KUKA robotic arm, show that our proposed GraphMP achieves significant improvement on path quality and planning speed over the state-of-the-art learning-based and classical planners; while preserving the competitive success rate.

This paper investigates model robustness in reinforcement learning (RL) via the framework of distributionally robust Markov decision processes (RMDPs). Despite recent efforts, the sample complexity of RMDPs is much less understood regardless of the uncertainty set in use; in particular, there exist large gaps between existing upper and lower bounds, and it is unclear if distributional robustness bears any statistical implications when benchmarked against standard RL. In this paper, assuming access to a generative model, we derive the sample complexity of RMDPs---when the uncertainty set is measured via either total variation or $\chi^2$ divergence over the full range of uncertainty levels---using a model-based algorithm called distributionally robust value iteration, and develop minimax lower bounds to benchmark its tightness. Our results not only strengthen the prior art in both directions of upper and lower bounds, but also deliver surprising messages that learning RMDPs is not necessarily easier or more difficult than standard MDPs. In the case of total variation, we establish the minimax-optimal sample complexity of RMDPs which is always smaller than that of standard MDPs. In the case of $\chi^2$ divergence, we establish the sample complexity of RMDPs that is tight up to polynomial factors of the effective horizon, and grows linearly with respect to the uncertainty level when it approaches infinity.

Vision-and-Language Navigation requires the agent to follow language instructions to navigate through 3D environments. One main challenge in Vision-and-Language Navigation is the limited availability of photorealistic training environments, which makes it hard to generalize to new and unseen environments. To address this problem, we propose PanoGen, a generation method that can potentially create an infinite number of diverse panoramic environments conditioned on text. Specifically, we collect room descriptions by captioning the room images in existing Matterport3D environments, and leverage a state-of-the-art text-to-image diffusion model to generate the new panoramic environments. We use recursive outpainting over the generated images to create consistent 360-degree panorama views. Our new panoramic environments share similar semantic information with the original environments by conditioning on text descriptions, which ensures the co-occurrence of objects in the panorama follows human intuition, and creates enough diversity in room appearance and layout with image outpainting. Lastly, we explore two ways of utilizing PanoGen in VLN pre-training and fine-tuning. We generate instructions for paths in our PanoGen environments with a speaker built on a pre-trained vision-and-language model for VLN pre-training, and augment the visual observation with our panoramic environments during agents' fine-tuning to avoid overfitting to seen environments. Empirically, learning with our PanoGen environments achieves the new state-of-the-art on the Room-to-Room, Room-for-Room, and CVDN datasets. Besides, we find that pre-training with our PanoGen speaker data is especially effective for CVDN, which has under-specified instructions and needs commonsense knowledge to reach the target. Lastly, we show that the agent can benefit from training with more generated panoramic environments, suggesting promising results for scaling up the PanoGen environments to enhance agents' generalization to unseen environments.

Existing regression models tend to fall short in both accuracy and uncertainty estimation when the label distribution is imbalanced. In this paper, we propose a probabilistic deep learning model, dubbed variational imbalanced regression (VIR), which not only performs well in imbalanced regression but naturally produces reasonable uncertainty estimation as a byproduct. Different from typical variational autoencoders assuming I.I.D. representations (a data point's representation is not directly affected by other data points), our VIR borrows data with similar regression labels to compute the latent representation's variational distribution; furthermore, different from deterministic regression models producing point estimates, VIR predicts the entire normal-inverse-gamma distributions and modulates the associated conjugate distributions to impose probabilistic reweighting on the imbalanced data, thereby providing better uncertainty estimation. Experiments in several real-world datasets show that our VIR can outperform state-of-the-art imbalanced regression models in terms of both accuracy and uncertainty estimation. Code will soon be available at https://github.com/Wang-ML-Lab/variational-imbalanced-regression.

In this work we make progress in understanding the relationship between learning models when given access to entangled measurements, separable measurements and statistical measurements in the quantum statistical query ($\mathsf{QSQ}$) model. To this end, we show the following results. $\textbf{Entanglement versus separable measurements.}$ The goal here is to learn an unknown $f$ from the concept class $\mathcal{C} \subseteq \{f:\{0,1\}^n\rightarrow [k]\}$ given copies of $\frac{1}{\sqrt{2^n}}\sum_x \ket{x,f(x)}$. We show that, if $T$ copies suffice to learn $f$ using entangled measurements, then $O(nT^2)$ copies suffice to learn $f$ using just separable measurements. Additionally, we exhibit a concept class $\mathcal{C}$ for which, in order to learn some \emph{property} of $f$, the sample complexity of learning using entangled measurements is exponentially smaller than separable measurements. $\textbf{Entangled versus statistical measurements}$ The goal here is to learn a function $f \in \mathcal{C}$ given access to separable measurements and statistical measurements. We exhibit a concept class $\mathcal{C}$ based on degree-$2$ functions that gives an exponential separation between $\mathsf{QSQ}$ learning and quantum learning with entangled measurements (even in the presence of noise). This proves the "quantum analogue" of the seminal result of (Blum, 2003) that separates classical $\mathsf{SQ}$ learning from classical $\mathsf{PAC}$ learning with classification~noise. $\textbf{$\mathsf{QSQ}$ lower bounds for learning states.}$ The main technical contribution is to introduce a quantum statistical query dimension ($\mathsf{QSDA}$), which we use to give lower bounds on the $\mathsf{QSQ}$ complexity of learning. Using this, we prove exponential $\mathsf{QSQ}$ lower bounds for testing purity of quantum states, learning CCHL states, coset states of Abelian groups, degree-$2$ functions, planted bi-clique states and learning output states of Clifford circuits of depth polylog($n$). $\textbf{Further applications.}$ Using our $\mathsf{QSQ}$ lower bounds give an $\textit{unconditional}$ separation between weak and strong error mitigation and prove lower bounds for learning distributions in the $\mathsf{QSQ}$ model. Prior works by (Quek et al., 2022), (Hinsche et al., 2022), and (Neitner et al., 23) proved the analogous results $\textit{assuming}$ diagonal measurements and our work removes this assumption.

Geodesics play a critical role in many geometry processing applications. Traditional algorithms for computing geodesics on 3D mesh models are often inefficient and slow, which make them impractical for scenarios requiring extensive querying of arbitrary point-to-point geodesics. Recently, deep implicit functions have gained popularity for 3D geometry representation, yet there is still no research on neural implicit representation of geodesics. To bridge this gap, we make the first attempt to represent geodesics using implicit learning frameworks. Specifically, we propose neural geodesic field (NeuroGF), which can be learned to encode all-pairs geodesics of a given 3D mesh model, enabling to efficiently and accurately answer queries of arbitrary point-to-point geodesic distances and paths. Evaluations on common 3D object models and real-captured scene-level meshes demonstrate our exceptional performances in terms of representation accuracy and querying efficiency. Besides, NeuroGF also provides a convenient way of jointly encoding both 3D geometry and geodesics in a unified representation. Moreover, the working mode of per-model overfitting is further extended to generalizable learning frameworks that can work on various input formats such as unstructured point clouds, which also show satisfactory performances for unseen shapes and categories. Our code and data are available at https://github.com/keeganhk/NeuroGF.

The past decade has witnessed great strides in video recovery by specialist technologies, like video inpainting, completion, and error concealment. However, they typically simulate the missing content by manual-designed error masks, thus failing to fill in the realistic video loss in video communication (e.g., telepresence, live streaming, and internet video) and multimedia forensics. To address this, we introduce the bitstream-corrupted video (BSCV) benchmark, the first benchmark dataset with more than 28,000 video clips, which can be used for bitstream-corrupted video recovery in the real world. The BSCV is a collection of 1) a proposed three-parameter corruption model for video bitstream, 2) a large-scale dataset containing rich error patterns, multiple corruption levels, and flexible dataset branches, and 3) a new video recovery framework that serves as a benchmark. We evaluate state-of-the-art video inpainting methods on the BSCV dataset, demonstrating existing approaches' limitations and our framework's advantages in solving the bitstream-corrupted video recovery problem. The benchmark and dataset are released at https://github.com/LIUTIGHE/BSCV-Dataset.

Large transformers are powerful architectures used for self-supervised data analysis across various data types, including protein sequences, images, and text. In these models, the semantic structure of the dataset emerges from a sequence of transformations between one representation and the next. We characterize the geometric and statistical properties of these representations and how they change as we move through the layers. By analyzing the intrinsic dimension (ID) and neighbor composition, we find that the representations evolve similarly in transformers trained on protein language taskand image reconstruction tasks. In the first layers, the data manifold expands, becoming high-dimensional, and then contracts significantly in the intermediate layers. In the last part of the model, the ID remains approximately constant or forms a second shallow peak. We show that the semantic information of the dataset is better expressed at the end of the first peak, and this phenomenon can be observed across many models trained on diverse datasets. Based on our findings, we point out an explicit strategy to identify, without supervision, the layers that maximize semantic content: representations at intermediate layers corresponding to a relative minimum of the ID profile are more suitable for downstream learning tasks.