ICLR 2023 Papers

Contrastive learning, especially self-supervised contrastive learning (SSCL), has achieved great success in extracting powerful features from unlabeled data. In this work, we contribute to the theoretical understanding of SSCL and uncover its connection to the classic data visualization method, stochastic neighbor embedding (SNE), whose goal is to preserve pairwise distances. From the perspective of preserving neighboring information, SSCL can be viewed as a special case of SNE with the input space pairwise similarities specified by data augmentation. The established correspondence facilitates deeper theoretical understanding of learned features of SSCL, as well as methodological guidelines for practical improvement. Specifically, through the lens of SNE, we provide novel analysis on domain-agnostic augmentations, implicit bias and robustness of learned features. To illustrate the practical advantage, we demonstrate that the modifications from SNE to $t$-SNE can also be adopted in the SSCL setting, achieving significant improvement in both in-distribution and out-of-distribution generalization.

Recently, self-supervised learning has attracted great attention, since it only requires unlabeled data for model training. Contrastive learning is one popular method for self-supervised learning and has achieved promising empirical performance. However, the theoretical understanding of its generalization ability is still limited. To this end, we define a kind of $(\sigma,\delta)$-measure to mathematically quantify the data augmentation, and then provide an upper bound of the downstream classification error rate based on the measure. It reveals that the generalization ability of contrastive self-supervised learning is related to three key factors: alignment of positive samples, divergence of class centers, and concentration of augmented data. The first two factors are properties of learned representations, while the third one is determined by pre-defined data augmentation. We further investigate two canonical contrastive losses, InfoNCE and cross-correlation, to show how they provably achieve the first two factors. Moreover, we conduct experiments to study the third factor, and observe a strong correlation between downstream performance and the concentration of augmented data.

We present a computationally efficient framework to model a wide range of population structures with high order correlations and a large number of neurons. Our method is based on a special type of Bayesian network that has linear inference time and is founded upon the concept of contextual independence. Moreover, we use an efficient architecture learning method for network selection to model large neural populations even with a small amount of data. Our framework is both fast and accurate in approximating neural population structures. Furthermore, our approach enables us to reliably quantify higher order neural correlations. We test our method on simulated neural populations commonly used to generate higher order correlations, as well as on publicly available large-scale neural recordings from the Allen Brain Observatory. Our approach significantly outperforms other models both in terms of statistical measures and alignment with experimental evidence.

Graph unlearning, which involves deleting graph elements such as nodes, node labels, and relationships from a trained graph neural network (GNN) model, is crucial for real-world applications where data elements may become irrelevant, inaccurate, or privacy-sensitive. However, existing methods for graph unlearning either deteriorate model weights shared across all nodes or fail to effectively delete edges due to their strong dependence on local graph neighborhoods. To address these limitations, we introduce GNNDelete, a novel model-agnostic layer-wise operator that optimizes two critical properties, namely, Deleted Edge Consistency and Neighborhood Influence, for graph unlearning. Deleted Edge Consistency ensures that the influence of deleted elements is removed from both model weights and neighboring representations, while Neighborhood Influence guarantees that the remaining model knowledge is preserved after deletion. GNNDelete updates representations to delete nodes and edges from the model while retaining the rest of the learned knowledge. We conduct experiments on seven real-world graphs, showing that GNNDelete outperforms existing approaches by up to 38.8% (AUC) on edge, node, and node feature deletion tasks, and 32.2% on distinguishing deleted edges from non-deleted ones. Additionally, GNNDelete is efficient, taking 12.3x less time and 9.3x less space than retraining GNN from scratch on WordNet18.

Witnessing the impressive achievements of pre-training techniques on large-scale data in the field of computer vision and natural language processing, we wonder whether this idea could be adapted in a grab-and-go spirit, and mitigate the sample inefficiency problem for visuomotor driving. Given the highly dynamic and variant nature of the input, the visuomotor driving task inherently lacks the view and translation invariance, and the visual input contains massive irrelevant information for decision making, resulting in predominant pre-training approaches from general vision less suitable for the autonomous driving task. To this end, we propose PPGeo (Policy Pre-training via Geometric modeling), an intuitive and straightforward fully self-supervised framework curated for the policy pre-training in visuomotor driving. We aim at learning policy representations as a powerful abstraction by modeling 3D geometric scenes on large-scale unlabeled and uncalibrated YouTube driving videos. The proposed PPGeo is performed in two stages to support effective self-supervised training. In the first stage, the geometric modeling framework generates pose and depth predictions simultaneously, with two consecutive frames as input. In the second stage, the visual encoder learns driving policy representation by predicting the future ego-motion and optimizing with the photometric error based on current visual observation only. As such, the pre-trained visual encoder is equipped with rich driving policy related representations and thereby competent for multiple visuomotor driving tasks. As a side product, the pre-trained geometric modeling networks could bring further improvement to the depth and odometry estimation tasks. Extensive experiments covering a wide span of challenging scenarios have demonstrated the superiority of our proposed approach, where improvements range from 2% to even over 100% with very limited data.

Reward function is essential in reinforcement learning (RL), serving as the guiding signal to incentivize agents to solve given tasks, however, is also notoriously difficult to design. In many cases, only imperfect rewards are available, which inflicts substantial performance loss for RL agents. In this study, we propose a unified offline policy optimization approach, \textit{RGM (Reward Gap Minimization)}, which can smartly handle diverse types of imperfect rewards. RGM is formulated as a bi-level optimization problem: the upper layer optimizes a reward correction term that performs visitation distribution matching w.r.t. some expert data; the lower layer solves a pessimistic RL problem with the corrected rewards. By exploiting the duality of the lower layer, we derive a tractable algorithm that enables sampled-based learning without any online interactions. Comprehensive experiments demonstrate that RGM achieves superior performance to existing methods under diverse settings of imperfect rewards. Further, RGM can effectively correct wrong or inconsistent rewards against expert preference and retrieve useful information from biased rewards. Code is available at https://github.com/Facebear-ljx/RGM.

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighbor- ing nodes, or by applying a non-uniform score (attending) to the features. Recent works have shown the strengths and weaknesses of the resulting GNN architectures, respectively, GCNs and GATs. In this work, we aim at exploiting the strengths of both approaches to their full extent. To this end, we first introduce the graph convolutional attention layer (CAT), which relies on convolutions to compute the attention scores. Unfortunately, as in the case of GCNs and GATs, we show that there exists no clear winner between the three—neither theoretically nor in practice—as their performance directly depends on the nature of the data (i.e., of the graph and features). This result brings us to the main contribution of our work, the learnable graph convolutional attention network (L-CAT): a GNN architecture that automatically interpolates between GCN, GAT and CAT in each layer, by adding only two scalar parameters. Our results demonstrate that L-CAT is able to efficiently combine different GNN layers along the network, outperforming competing methods in a wide range of datasets, and resulting in a more robust model that reduces the need of cross-validating.

Diffusion models generate samples by reversing a fixed forward diffusion process. Despite already providing impressive empirical results, these diffusion models algorithms can be further improved by reducing the variance of the training targets in their denoising score-matching objective. We argue that the source of such variance lies in the handling of intermediate noise-variance scales, where multiple modes in the data affect the direction of reverse paths. We propose to remedy the problem by incorporating a reference batch which we use to calculate weighted conditional scores as more stable training targets. We show that the procedure indeed helps in the challenging intermediate regime by reducing (the trace of) the covariance of training targets. The new stable targets can be seen as trading bias for reduced variance, where the bias vanishes with increasing reference batch size. Empirically, we show that the new objective improves the image quality, stability, and training speed of various popular diffusion models across datasets with both general ODE and SDE solvers. When used in combination with EDM, our method yields a current SOTA FID of 1.90 with 35 network evaluations on the unconditional CIFAR-10 generation task. The code is available at https://github.com/Newbeeer/stf

Output reachability and adversarial robustness are among the most relevant safety properties of neural networks. We show that in the context of Message Passing Neural Networks (MPNN), a common Graph Neural Network (GNN) model, formal verification is impossible. In particular, we show that output reachability of graph-classifier MPNN, working over graphs of unbounded size, non-trivial degree and sufficiently expressive node labels, cannot be verified formally: there is no algorithm that answers correctly (with yes or no), given an MPNN, whether there exists some valid input to the MPNN such that the corresponding output satisfies a given specification. However, we also show that output reachability and adversarial robustness of node-classifier MPNN can be verified formally when a limit on the degree of input graphs is given a priori. We discuss the implications of these results, for the purpose of obtaining a complete picture of the principle possibility to formally verify GNN, depending on the expressiveness of the involved GNN models and input-output specifications.

Chain-of-thought prompting has demonstrated remarkable performance on various natural language reasoning tasks. However, it tends to perform poorly on tasks which requires solving problems harder than the exemplars shown in the prompts. To overcome this challenge of easy-to-hard generalization, we propose a novel prompting strategy, least-to-most prompting. The key idea in this strategy is to break down a complex problem into a series of simpler subproblems and then solve them in sequence. Solving each subproblem is facilitated by the answers to previously solved subproblems. Our experimental results on tasks related to symbolic manipulation, compositional generalization, and math reasoning reveal that least-to-most prompting is capable of generalizing to more difficult problems than those seen in the prompts. A notable finding is that when the GPT-3 code-davinci-002 model is used with least-to-most prompting, it can solve the compositional generalization benchmark SCAN in any split (including length split) with an accuracy of at least 99\% using just 14 exemplars, compared to only 16\% accuracy with chain-of-thought prompting. This is particularly noteworthy because neural-symbolic models in the literature that specialize in solving SCAN are trained on the entire training set containing over 15,000 examples. We have included prompts for all the tasks in the Appendix.

We present a general framework for evolutionary learning to emergent unbiased state representation without any supervision. Evolutionary frameworks such as self-play converge to bad local optima in case of multi-agent reinforcement learning in non-cooperative partially observable environments with communication due to information asymmetry. Our proposed framework is a simple modification of self-play inspired by mechanism design, also known as {\em reverse game theory}, to elicit truthful signals and make the agents cooperative. The key idea is to add imaginary rewards using the peer prediction method, i.e., a mechanism for evaluating the validity of information exchanged between agents in a decentralized environment. Numerical experiments with predator prey, traffic junction and StarCraft tasks demonstrate that the state-of-the-art performance of our framework.

We consider the problem of scheduling operations/nodes, the dependency among which is characterized by a Directed Acyclic Graph (DAG). Due to its NP-hard nature, heuristic algorithms were traditionally used to acquire reasonably good solutions, and more recent works have proposed Machine Learning (ML) heuristics that can generalize to unseen graphs and outperform the non-ML heuristics. However, it is computationally costly to generate solutions using existing ML schedulers since they adopt the episodic reinforcement learning framework that necessitates multi-round neural network processing. We propose a novel ML scheduler that uses a one-shot neural network encoder to sample node priorities which are converted by list scheduling to the final schedules. Since the one-shot encoder can efficiently sample the priorities in parallel, our algorithm runs significantly faster than existing ML baselines and has comparable run time with the fast traditional heuristics. We empirically show that our algorithm generates better schedules than both non-neural and neural baselines across various real-world and synthetic scheduling tasks.

Human-centric perception targets for understanding human body pose, shape and segmentation. Pre-training the model on large-scale datasets and fine-tuning it on specific tasks has become a well-established paradigm in human-centric perception. Recently, self-supervised learning methods have re-investigated contrastive learning to achieve superior performance on various downstream tasks. When handling human-centric perception, there still remains untapped potential since 3D human structure information is neglected during the task-agnostic pre-training. In this paper, we propose the Lifting Contrastive Learning (LiftedCL) to obtain 3D-aware human-centric representations which absorb 3D human structure information. In particular, to induce the learning process, a set of 3D skeletons is randomly sampled by resorting to 3D human kinematic prior. With this set of generic 3D samples, 3D human structure information can be learned into 3D-aware representations through adversarial learning. Empirical results demonstrate that LiftedCL outperforms state-of-the-art self-supervised methods on four human-centric downstream tasks, including 2D and 3D human pose estimation (0.4% mAP and 1.8 mm MPJPE improvement on COCO 2D pose estimation and Human3.6M 3D pose estimation), human shape recovery and human parsing.

Neural network weights are typically initialized at random from univariate distributions, controlling just the variance of individual weights even in highly-structured operations like convolutions. Recent ViT-inspired convolutional networks such as ConvMixer and ConvNeXt use large-kernel depthwise convolutions whose learned filters have notable structure; this presents an opportunity to study their empirical covariances. In this work, we first observe that such learned filters have highly-structured covariance matrices, and moreover, we find that covariances calculated from small networks may be used to effectively initialize a variety of larger networks of different depths, widths, patch sizes, and kernel sizes, indicating a degree of model-independence to the covariance structure. Motivated by these findings, we then propose a learning-free multivariate initialization scheme for convolutional filters using a simple, closed-form construction of their covariance. Models using our initialization outperform those using traditional univariate initializations, and typically meet or exceed the performance of those initialized from the covariances of learned filters; in some cases, this improvement can be achieved without training the depthwise convolutional filters at all. Our code is available at https://github.com/locuslab/convcov.

Neural language models (LMs) have achieved impressive results on various language-based reasoning tasks by utilizing latent knowledge encoded in their own pretrained parameters. To make this reasoning process more explicit, recent works retrieve a rationalizing LM's internal knowledge by training or prompting it to generate free-text rationales, which can be used to guide task predictions made by either the same LM or a separate reasoning LM. However, rationalizing LMs require expensive rationale annotation and/or computation, without any assurance that their generated rationales improve LM task performance or faithfully reflect LM decision-making. In this paper, we propose PINTO, an LM pipeline that rationalizes via prompt-based learning, and learns to faithfully reason over rationales via counterfactual regularization. First, PINTO maps out a suitable reasoning process for the task input by prompting a frozen rationalizing LM to generate a free-text rationale. Second, PINTO's reasoning LM is fine-tuned to solve the task using the generated rationale as context, while regularized to output less confident predictions when the rationale is perturbed. Across four datasets, we show that PINTO significantly improves the generalization ability of the reasoning LM, yielding higher performance on both in-distribution and out-of-distribution test sets. Also, we find that PINTO's rationales are more faithful to its task predictions than those generated by competitive baselines.

Video generation, with the purpose of producing a sequence of frames, requires synthesizing consistent and persistent dynamic contents over time. This work investigates how to model the temporal relations for composing a video with arbitrary number of frames, from a few to even infinite, using generative adversarial networks (GANs). First, towards composing adjacent frames, we show that the alias-free operation for single image generation, together with adequately pre-learned knowledge, bring a smooth frame transition without harming the per-frame quality. Second, through incorporating a temporal shift module (TSM), which is originally designed for video understanding, into the discriminator, we manage to advance the generator in synthesizing more reasonable dynamics. Third, we develop a novel B-Spline based motion representation to ensure the temporal smoothness, and hence achieve infinite-length video generation, going beyond the frame number used in training. We evaluate our approach on a range of datasets and show substantial improvements over baselines on video generation. Code and models are publicly available at \url{https://genforce.github.io/StyleSV}.

We address the task of open-world class-agnostic object detection, i.e., detecting every object in an image by learning from a limited number of base object classes. State-of-the-art RGB-based models suffer from overfitting the training classes and often fail at detecting novel-looking objects. This is because RGB-based models primarily rely on appearance similarity to detect novel objects and are also prone to overfitting short-cut cues such as textures and discriminative parts. To address these shortcomings of RGB-based object detectors, we propose incorporating geometric cues such as depth and normals, predicted by general-purpose monocular estimators. Specifically, we use the geometric cues to train an object proposal network for pseudo-labeling unannotated novel objects in the training set. Our resulting Geometry-guided Open-world Object Detector (GOOD) significantly improves detection recall for novel object categories and already performs well with only a few training classes. Using a single ``person'' class for training on the COCO dataset, GOOD surpasses SOTA methods by 5.0% AR@100, a relative improvement of 24%. The code has been made available at https://github.com/autonomousvision/good.

Federated clustering (FC) is an unsupervised learning problem that arises in a number of practical applications, including personalized recommender and healthcare systems. With the adoption of recent laws ensuring the "right to be forgotten", the problem of machine unlearning for FC methods has become of significant importance. We introduce, for the first time, the problem of machine unlearning for FC, and propose an efficient unlearning mechanism for a customized secure FC framework. Our FC framework utilizes special initialization procedures that we show are well-suited for unlearning. To protect client data privacy, we develop the secure compressed multiset aggregation (SCMA) framework that addresses sparse secure federated learning (FL) problems encountered during clustering as well as more general problems. To simultaneously facilitate low communication complexity and secret sharing protocols, we integrate Reed-Solomon encoding with special evaluation points into our SCMA pipeline, and prove that the client communication cost is logarithmic in the vector dimension. Additionally, to demonstrate the benefits of our unlearning mechanism over complete retraining, we provide a theoretical analysis for the unlearning performance of our approach. Simulation results show that the new FC framework exhibits superior clustering performance compared to previously reported FC baselines when the cluster sizes are highly imbalanced. Compared to completely retraining K-means++ locally and globally for each removal request, our unlearning procedure offers an average speed-up of roughly 84x across seven datasets. Our implementation for the proposed method is available at https://github.com/thupchnsky/mufc.

The standard option framework is developed on the Semi-Markov Decision Process (SMDP) which is unstable to optimize and sample inefficient. To this end, we propose the Hidden Temporal MDP (HiT-MDP) and prove that the option-induced HiT-MDP is homomorphic equivalent to the option-induced SMDP. A novel transformer-based framework is introduced to learn options' embedding vectors (rather than conventional option tuples) on HiT-MDPs. We then derive a stable and sample efficient option discovering method under the maximum-entropy policy gradient framework. Extensive experiments on challenging Mujoco environments demonstrate HiT-MDP's efficiency and effectiveness: under widely used configurations, HiT-MDP achieves competitive, if not better, performance compared to the state-of-the-art baselines on all finite horizon and transfer learning environments. Moreover, HiT-MDP significantly outperforms all baselines on infinite horizon environments while exhibiting smaller variance, faster convergence, and better interpretability. Our work potentially sheds light on the theoretical ground of extending the option framework into a large-scale foundation model.