NeurIPS 2023 论文列表

Physics-informed neural networks (PINNs) have recently emerged as promising data-driven PDE solvers showing encouraging results on various PDEs. However, there is a fundamental limitation of training PINNs to solve multi-dimensional PDEs and approximate very complex solution functions. The number of training points (collocation points) required on these challenging PDEs grows substantially, and it is severely limited due to the expensive computational costs and heavy memory overhead. To overcome this limit, we propose a network architecture and training algorithm for PINNs. The proposed method, separable PINN (SPINN), operates on a per-axis basis to decrease the number of network propagations in multi-dimensional PDEs instead of point-wise processing in conventional PINNs. We also propose using forward-mode automatic differentiation to reduce the computational cost of computing PDE residuals, enabling a large number of collocation points ($>10^7$) on a single commodity GPU. The experimental results show significantly reduced computational costs ($62\times$ in wall-clock time, $1,394\times$ in FLOPs given the same number of collocation points) in multi-dimensional PDEs while achieving better accuracy. Furthermore, we present that SPINN can solve a chaotic (2+1)-d Navier-Stokes equation much faster than the best-performing prior method (9 minutes vs. 10 hours in a single GPU), maintaining accuracy. Finally, we showcase that SPINN can accurately obtain the solution of a highly nonlinear and multi-dimensional PDE, a (3+1)-d Navier-Stokes equation. For visualized results and code, please see https://jwcho5576.github.io/spinn.github.io/.

Large transformer models trained on diverse datasets have shown a remarkable ability to learn in-context, achieving high few-shot performance on tasks they were not explicitly trained to solve. In this paper, we study the in-context learning capabilities of transformers in decision-making problems, i.e., reinforcement learning (RL) for bandits and Markov decision processes. To do so, we introduce and study the Decision-Pretrained Transformer (DPT), a supervised pretraining method where a transformer predicts an optimal action given a query state and an in-context dataset of interactions from a diverse set of tasks. While simple, this procedure produces a model with several surprising capabilities. We find that the trained transformer can solve a range of RL problems in-context, exhibiting both exploration online and conservatism offline, despite not being explicitly trained to do so. The model also generalizes beyond the pretraining distribution to new tasks and automatically adapts its decision-making strategies to unknown structure. Theoretically, we show DPT can be viewed as an efficient implementation of Bayesian posterior sampling, a provably sample-efficient RL algorithm. We further leverage this connection to provide guarantees on the regret of the in-context algorithm yielded by DPT, and prove that it can learn faster than algorithms used to generate the pretraining data. These results suggest a promising yet simple path towards instilling strong in-context decision-making abilities in transformers.

Random forests have been one successful ensemble algorithms in machine learning. Various techniques have been utilized to preserve the privacy of random forests from anonymization, differential privacy, homomorphic encryption, etc., whereas it rarely takes into account some crucial ingredients of learning algorithm. This work presents a new encryption to preserve data's Gini impurity, which plays a crucial role during the construction of random forests. Our basic idea is to modify the structure of binary search tree to store several examples in each node, and encrypt data features by incorporating label and order information. Theoretically, we prove that our scheme preserves the minimum Gini impurity in ciphertexts without decrypting, and present the security guarantee for encryption. For random forests, we encrypt data features based on our Gini-impurity-preserving scheme, and take the homomorphic encryption scheme CKKS to encrypt data labels due to their importance and privacy. We conduct extensive experiments to show the effectiveness, efficiency and security of our proposed method.

Deep neural networks are known to be vulnerable to small adversarial perturbations in test data. To defend against adversarial attacks, probabilistic classifiers have been proposed as an alternative to deterministic ones. However, literature has conflicting findings on the effectiveness of probabilistic classifiers in comparison to deterministic ones. In this paper, we clarify the role of randomization in building adversarially robust classifiers. Given a base hypothesis set of deterministic classifiers, we show the conditions under which a randomized ensemble outperforms the hypothesis set in adversarial risk, extending previous results. Additionally, we show that for any probabilistic binary classifier (including randomized ensembles), there exists a deterministic classifier that outperforms it. Finally, we give an explicit description of the deterministic hypothesis set that contains such a deterministic classifier for many types of commonly used probabilistic classifiers, *i.e.* randomized ensembles and parametric/input noise injection.

Hand-crafted image quality metrics, such as PSNR and SSIM, are commonly used to evaluate model privacy risk under reconstruction attacks. Under these metrics, reconstructed images that are determined to resemble the original one generally indicate more privacy leakage. Images determined as overall dissimilar, on the other hand, indicate higher robustness against attack. However, there is no guarantee that these metrics well reflect human opinions, which offers trustworthy judgement for model privacy leakage. In this paper, we comprehensively study the faithfulness of these hand-crafted metrics to human perception of privacy information from the reconstructed images. On 5 datasets ranging from natural images, faces, to fine-grained classes, we use 4 existing attack methods to reconstruct images from many different classification models and, for each reconstructed image, we ask multiple human annotators to assess whether this image is recognizable. Our studies reveal that the hand-crafted metrics only have a weak correlation with the human evaluation of privacy leakage and that even these metrics themselves often contradict each other. These observations suggest risks of current metrics in the community. To address this potential risk, we propose a learning-based measure called SemSim to evaluate the Semantic Similarity between the original and reconstructed images. SemSim is trained with a standard triplet loss, using an original image as an anchor, one of its recognizable reconstructed images as a positive sample, and an unrecognizable one as a negative. By training on human annotations, SemSim exhibits a greater reflection of privacy leakage on the semantic level. We show that SemSim has a significantly higher correlation with human judgment compared with existing metrics. Moreover, this strong correlation generalizes to unseen datasets, models and attack methods. We envision this work as a milestone for image quality evaluation closer to the human level. The project webpage can be accessed at https://sites.google.com/view/semsim.

Multilabel ranking is a central task in machine learning. However, the most fundamental question of learnability in a multilabel ranking setting with relevance-score feedback remains unanswered. In this work, we characterize the learnability of multilabel ranking problems in both batch and online settings for a large family of ranking losses. Along the way, we give two equivalence classes of ranking losses based on learnability that capture most losses used in practice.

Understanding the parameter estimation of softmax gating Gaussian mixture of experts has remained a long-standing open problem in the literature. It is mainly due to three fundamental theoretical challenges associated with the softmax gating function: (i) the identifiability only up to the translation of parameters; (ii) the intrinsic interaction via partial differential equations between the softmax gating and the expert functions in the Gaussian density; (iii) the complex dependence between the numerator and denominator of the conditional density of softmax gating Gaussian mixture of experts. We resolve these challenges by proposing novel Voronoi loss functions among parameters and establishing the convergence rates of maximum likelihood estimator (MLE) for solving parameter estimation in these models. When the true number of experts is unknown and over-specified, our findings show a connection between the convergence rate of the MLE and a solvability problem of a system of polynomial equations.

Large conferences such as NeurIPS and AAAI serve as crossroads of various AI fields, since they attract submissions from a vast number of communities. However, in some cases, this has resulted in a poor reviewing experience for some communities, whose submissions get assigned to less qualified reviewers outside of their communities. An often-advocated solution is to break up any such large conference into smaller conferences, but this can lead to isolation of communities and harm interdisciplinary research. We tackle this challenge by introducing a notion of group fairness, called the core, which requires that every possible community (subset of researchers) to be treated in a way that prevents them from unilaterally benefiting by withdrawing from a large conference. We study a simple peer review model, prove that it always admits a reviewing assignment in the core, and design an efficient algorithm to find one such assignment. We use real data from CVPR and ICLR conferences to compare our algorithm to existing reviewing assignment algorithms on a number of metrics.

We tackle the problem of Persistent Independent Particles (PIPs), also called Tracking Any Point (TAP), in videos, which specifically aims at estimating persistent long-term trajectories of query points in videos. Previous methods attempted to estimate these trajectories independently to incorporate longer image sequences, therefore, ignoring the potential benefits of incorporating spatial context features. We argue that independent video point tracking also demands spatial context features. To this end, we propose a novel framework Context-PIPs, which effectively improves point trajectory accuracy by aggregating spatial context features in videos. Context-PIPs contains two main modules: 1) a SOurse Feature Enhancement (SOFE) module, and 2) a TArget Feature Aggregation (TAFA) module. Context-PIPs significantly improves PIPs all-sided, reducing 11.4\% Average Trajectory Error of Occluded Points (ATE-Occ) on CroHD and increasing 11.8\% Average Percentage of Correct Keypoint (A-PCK) on TAP-Vid-Kinetics. Demos are available at \url{https://wkbian.github.io/Projects/Context-PIPs/}.

Semi-Supervised Domain Generalization (SSDG) aims to learn a model that is generalizable to an unseen target domain with only a few labels, and most existing SSDG methods assume that unlabeled training and testing samples are all known classes. However, a more realistic scenario is that known classes may be mixed with some unknown classes in unlabeled training and testing data. To deal with such a scenario, we propose the Class-Wise Adaptive Exploration and Exploitation (CWAEE) method. In particular, we explore unlabeled training data by using one-vs-rest classifiers and class-wise adaptive thresholds to detect known and unknown classes, and exploit them by adopting consistency regularization on augmented samples based on Fourier Transformation to improve the unseen domain generalization. The experiments conducted on real-world datasets verify the effectiveness and superiority of our method.

We consider a statistical model for matrix factorization in a regime where the rank of the two hidden matrix factors grows linearly with their dimension and their product is corrupted by additive noise. Despite various approaches, statistical and algorithmic limits of such problems have remained elusive. We study a Bayesian setting with the assumptions that (a) one of the matrix factors is symmetric, (b) both factors as well as the additive noise have rotational invariant priors, (c) the priors are known to the statistician. We derive analytical formulas for Rotation Invariant Estimators to reconstruct the two matrix factors, and conjecture that these are optimal in the large-dimension limit, in the sense that they minimize the average mean-square-error. We provide numerical checks which confirm the optimality conjecture when confronted to Oracle Estimators which are optimal by definition, but involve the ground-truth. Our derivation relies on a combination of tools, namely random matrix theory transforms, spherical integral formulas, and the replica method from statistical mechanics.

We study the asymptotic generalization of an overparameterized linear model for multiclass classification under the Gaussian covariates bi-level model introduced in Subramanian et al. (NeurIPS'22), where the number of data points, features, and classes all grow together. We fully resolve the conjecture posed in Subramanian et al. '22, matching the predicted regimes for which the model does and does not generalize. Furthermore, our new lower bounds are akin to an information-theoretic strong converse: they establish that the misclassification rate goes to 0 or 1 asymptotically. One surprising consequence of our tight results is that the min-norm interpolating classifier can be asymptotically suboptimal relative to noninterpolating classifiers in the regime where the min-norm interpolating regressor is known to be optimal. The key to our tight analysis is a new variant of the Hanson-Wright inequality which is broadly useful for multiclass problems with sparse labels. As an application, we show that the same type of analysis can be used to analyze the related multi-label classification problem under the same bi-level ensemble.

Automated auction design aims to find empirically high-revenue mechanisms through machine learning. Existing works on multi item auction scenarios can be roughly divided into RegretNet-like and affine maximizer auctions (AMAs) approaches. However, the former cannot strictly ensure dominant strategy incentive compatibility (DSIC), while the latter faces scalability issue due to the large number of allocation candidates. To address these limitations, we propose AMenuNet, a scalable neural network that constructs the AMA parameters (even including the allocation menu) from bidder and item representations. AMenuNet is always DSIC and individually rational (IR) due to the properties of AMAs, and it enhances scalability by generating candidate allocations through a neural network. Additionally, AMenuNet is permutation equivariant, and its number of parameters is independent of auction scale. We conduct extensive experiments to demonstrate that AMenuNet outperforms strong baselines in both contextual and non-contextual multi-item auctions, scales well to larger auctions, generalizes well to different settings, and identifies useful deterministic allocations. Overall, our proposed approach offers an effective solution to automated DSIC auction design, with improved scalability and strong revenue performance in various settings.

Unsupervised pre-training has recently become the bedrock for computer vision and natural language processing. In reinforcement learning (RL), goal-conditioned RL can potentially provide an analogous self-supervised approach for making use of large quantities of unlabeled (reward-free) data. However, building effective algorithms for goal-conditioned RL that can learn directly from diverse offline data is challenging, because it is hard to accurately estimate the exact value function for faraway goals. Nonetheless, goal-reaching problems exhibit structure, such that reaching distant goals entails first passing through closer subgoals. This structure can be very useful, as assessing the quality of actions for nearby goals is typically easier than for more distant goals. Based on this idea, we propose a hierarchical algorithm for goal-conditioned RL from offline data. Using one action-free value function, we learn two policies that allow us to exploit this structure: a high-level policy that treats states as actions and predicts (a latent representation of) a subgoal and a low-level policy that predicts the action for reaching this subgoal. Through analysis and didactic examples, we show how this hierarchical decomposition makes our method robust to noise in the estimated value function. We then apply our method to offline goal-reaching benchmarks, showing that our method can solve long-horizon tasks that stymie prior methods, can scale to high-dimensional image observations, and can readily make use of action-free data. Our code is available at https://seohong.me/projects/hiql/

We study the generalization properties of unregularized gradient methods applied to separable linear classification---a setting that has received considerable attention since the pioneering work of Soudry et al. (2018). We establish tight upper and lower (population) risk bounds for gradient descent in this setting, for any smooth loss function, expressed in terms of its tail decay rate. Our bounds take the form $\Theta(r_{\ell,T}^2 / \gamma^2 T + r_{\ell,T}^2 / \gamma^2 n)$, where $T$ is the number of gradient steps, $n$ is size of the training set, $\gamma$ is the data margin, and $r_{\ell,T}$ is a complexity term that depends on the tail decay rate of the loss function (and on $T$). Our upper bound greatly improves the existing risk bounds due to Shamir (2021) and Schliserman and Koren (2022), that either applied to specific loss functions or imposed extraneous technical assumptions, and applies to virtually any convex and smooth loss function. Our risk lower bound is the first in this context and establish the tightness of our general upper bound for any given tail decay rate and in all parameter regimes. The proof technique used to show these results is also markedly simpler compared to previous work, and is straightforward to extend to other gradient methods; we illustrate this by providing analogous results for Stochastic Gradient Descent.

Diffusion models are powerful generative models but suffer from slow sampling, often taking 1000 sequential denoising steps for one sample. As a result, considerable efforts have been directed toward reducing the number of denoising steps, but these methods hurt sample quality. Instead of reducing the number of denoising steps (trading quality for speed), in this paper we explore an orthogonal approach: can we run the denoising steps in parallel (trading compute for speed)? In spite of the sequential nature of the denoising steps, we show that surprisingly it is possible to parallelize sampling via Picard iterations, by guessing the solution of future denoising steps and iteratively refining until convergence. With this insight, we present ParaDiGMS, a novel method to accelerate the sampling of pretrained diffusion models by denoising multiple steps in parallel. ParaDiGMS is the first diffusion sampling method that enables trading compute for speed and is even compatible with existing fast sampling techniques such as DDIM and DPMSolver. Using ParaDiGMS, we improve sampling speed by 2-4x across a range of robotics and image generation models, giving state-of-the-art sampling speeds of 0.2s on 100-step DiffusionPolicy and 14.6s on 1000-step StableDiffusion-v2 with no measurable degradation of task reward, FID score, or CLIP score.

A goal of artificial intelligence is to construct an agent that can solve a wide variety of tasks. Recent progress in text-guided image synthesis has yielded models with an impressive ability to generate complex novel images, exhibiting combinatorial generalization across domains. Motivated by this success, we investigate whether such tools can be used to construct more general-purpose agents. Specifically, we cast the sequential decision making problem as a text-conditioned video generation problem, where, given a text-encoded specification of a desired goal, a planner synthesizes a set of future frames depicting its planned actions in the future, after which control actions are extracted from the generated video. By leveraging text as the underlying goal specification, we are able to naturally and combinatorially generalize to novel goals. The proposed policy-as-video formulation can further represent environments with different state and action spaces in a unified space of images, which, for example, enables learning and generalization across a variety of robot manipulation tasks. Finally, by leveraging pretrained language embeddings and widely available videos from the internet, the approach enables knowledge transfer through predicting highly realistic video plans for real robots.

Action knowledge involves the understanding of textual, visual, and temporal aspects of actions. We introduce the **Action Dynamics Benchmark (ActionBench)** containing two carefully designed probing tasks: Action Antonym and Video Reversal, which targets multimodal alignment capabilities and temporal understanding skills of the model, respectively. Despite recent video-language models’ (VidLM) impressive performance on various benchmark tasks, our diagnostic tasks reveal their surprising deficiency (near-random performance) in action knowledge, suggesting that current models rely on object recognition abilities as a shortcut for action understanding. To remedy this, we propose a novel framework, **Paxion**, along with a new **Discriminative Video Dynamics Modeling (DVDM)** objective. The Paxion framework utilizes a **Knowledge Patcher** network to encode new action knowledge and a **Knowledge Fuser** component to integrate the Patcher into frozen VidLMs without compromising their existing capabilities. Due to limitations of the widely-used Video-Text Contrastive (VTC) loss for learning action knowledge, we introduce the DVDM objective to train the Knowledge Patcher. DVDM forces the model to encode the correlation between the action text and the correct ordering of video frames. Our extensive analyses show that Paxion and DVDM together effectively fill the gap in action knowledge understanding (~50% → 80%), while maintaining or improving performance on a wide spectrum of both object- and action-centric downstream tasks.

Although the mapping between sound and meaning in human language is assumed to be largely arbitrary, research in cognitive science has shown that there are non-trivial correlations between particular sounds and meanings across languages and demographic groups, a phenomenon known as sound symbolism. Among the many dimensions of meaning, sound symbolism is particularly salient and well-demonstrated with regards to cross-modal associations between language and the visual domain. In this work, we address the question of whether sound symbolism is reflected in vision-and-language models such as CLIP and Stable Diffusion. Using zero-shot knowledge probing to investigate the inherent knowledge of these models, we find strong evidence that they do show this pattern, paralleling the well-known kiki-bouba effect in psycholinguistics. Our work provides a novel method for demonstrating sound symbolism and understanding its nature using computational tools. Our code will be made publicly available.