NeurIPS 2022 Papers

The computational complexity of classical numerical methods for solving Partial Differential Equations (PDE) scales significantly as the resolution increases. As an important example, climate predictions require fine spatio-temporal resolutions to resolve all turbulent scales in the fluid simulations. This makes the task of accurately resolving these scales computationally out of reach even with modern supercomputers. As a result, current numerical modelers solve PDEs on grids that are too coarse (3km to 200km on each side), which hinders the accuracy and usefulness of the predictions. In this paper, we leverage the recent advances in Implicit Neural Representations (INR) to design a novel architecture that predicts the spatially continuous solution of a PDE given a spatial position query. By augmenting coordinate-based architectures with Graph Neural Networks (GNN), we enable zero-shot generalization to new non-uniform meshes and long-term predictions up to 250 frames ahead that are physically consistent. Our Mesh Agnostic Neural PDE Solver (MAgNet) is able to make accurate predictions across a variety of PDE simulation datasets and compares favorably with existing baselines. Moreover, our model generalizes well to different meshes and resolutions up to four times those trained on.

Strong inductive biases give humans the ability to quickly learn to perform a variety of tasks. Although meta-learning is a method to endow neural networks with useful inductive biases, agents trained by meta-learning may sometimes acquire very different strategies from humans. We show that co-training these agents on predicting representations from natural language task descriptions and programs induced to generate such tasks guides them toward more human-like inductive biases. Human-generated language descriptions and program induction models that add new learned primitives both contain abstract concepts that can compress description length. Co-training on these representations result in more human-like behavior in downstream meta-reinforcement learning agents than less abstract controls (synthetic language descriptions, program induction without learned primitives), suggesting that the abstraction supported by these representations is key.

Pruning is one of the predominant approaches for compressing deep neural networks (DNNs). Lately, coresets (provable data summarizations) were leveraged for pruning DNNs, adding the advantage of theoretical guarantees on the trade-off between the compression rate and the approximation error. However, coresets in this domain were either data dependant or generated under restrictive assumptions on both the model's weights and inputs. In real-world scenarios, such assumptions are rarely satisfied, limiting the applicability of coresets. To this end, we suggest a novel and robust framework for computing such coresets under mild assumptions on the model's weights and without any assumption on the training data. The idea is to compute the importance of each neuron in each layer with respect to the output of the following layer. This is achieved by an elegant combination of L\"{o}wner ellipsoid and Caratheodory theorem. Our method is simultaneously data-independent, applicable to various networks and datasets (due to the simplified assumptions), and theoretically supported. Experimental results show that our method outperforms existing coreset based neural pruning approaches across a wide range of networks and datasets. For example, our method achieved a $62\%$ compression rate on ResNet50 on ImageNet with $1.09\%$ drop in accuracy.

Recent works show that adversarial examples exist for random neural networks [Daniely and Schacham, 2020] and that these examples can be found using a single step of gradient ascent [Bubeck et al., 2021]. In this work, we extend this line of work to ``lazy training'' of neural networks -- a dominant model in deep learning theory in which neural networks are provably efficiently learnable. We show that over-parametrized neural networks that are guaranteed to generalize well and enjoy strong computational guarantees remain vulnerable to attacks generated using a single step of gradient ascent.

The impossibility theorem of fairness is a foundational result in the algorithmic fairness literature. It states that outside of special cases, one cannot exactly and simultaneously satisfy all three common and intuitive definitions of fairness - demographic parity, equalized odds, and predictive rate parity. This result has driven most works to focus on solutions for one or two of the metrics. Rather than follow suit, in this paper we present a framework that pushes the limits of the impossibility theorem in order to satisfy all three metrics to the best extent possible. We develop an integer-programming based approach that can yield a certifiably optimal post-processing method for simultaneously satisfying multiple fairness criteria under small violations. We show experiments demonstrating that our post-processor can improve fairness across the different definitions simultaneously with minimal model performance reduction. We also discuss applications of our framework for model selection and fairness explainability, thereby attempting to answer the question: Who's the fairest of them all?

In this paper we propose a general framework to perform statistical online inference in a class of constant step size stochastic approximation (SA) problems, including the well-known stochastic gradient descent (SGD) and Q-learning. Regarding a constant step size SA procedure as a time-homogeneous Markov chain, we establish a functional central limit theorem (FCLT) for it under weaker conditions, and then construct confidence intervals for parameters via random scaling. To leverage the FCLT results in the Markov chain setting, an alternative condition that is more applicable for SA problems is established. We conduct experiments to perform inference with both random scaling and other traditional inference methods, and finds that the former has a more accurate and robust performance.

Learning to generate diverse scene-aware and goal-oriented human motions in 3D scenes remains challenging due to the mediocre characters of the existing datasets on Human-Scene Interaction (HSI); they only have limited scale/quality and lack semantics. To fill in the gap, we propose a large-scale and semantic-rich synthetic HSI dataset, denoted as HUMANISE, by aligning the captured human motion sequences with various 3D indoor scenes. We automatically annotate the aligned motions with language descriptions that depict the action and the individual interacting objects; e.g., sit on the armchair near the desk. HUMANIZE thus enables a new generation task, language-conditioned human motion generation in 3D scenes. The proposed task is challenging as it requires joint modeling of the 3D scene, human motion, and natural language. To tackle this task, we present a novel scene-and-language conditioned generative model that can produce 3D human motions of the desirable action interacting with the specified objects. Our experiments demonstrate that our model generates diverse and semantically consistent human motions in 3D scenes.

Explaining the behavior of AI systems is an important problem that, in practice, is generally avoided. While the XAI community has been developing an abundance of techniques, most incur a set of costs that the wider deep learning community has been unwilling to pay in most situations. We take a pragmatic view of the issue, and define a set of desiderata that capture both the ambitions of XAI and the practical constraints of deep learning. We describe an effective way to satisfy all the desiderata: train the AI system to build a causal model of itself. We develop an instance of this solution for Deep RL agents: Causal Self-Talk. CST operates by training the agent to communicate with itself across time. We implement this method in a simulated 3D environment, and show how it enables agents to generate faithful and semantically-meaningful explanations of their own behavior. Beyond explanations, we also demonstrate that these learned models provide new ways of building semantic control interfaces to AI systems.

In this paper we explore the recent topic of point cloud completion, guided by an auxiliary image. We show how it is possible to effectively combine the information from the two modalities in a localized latent space, thus avoiding the need for complex point cloud reconstruction methods from single views used by the state-of-the-art. We also investigate a novel self-supervised setting where the auxiliary image provides a supervisory signal to the training process by using a differentiable renderer on the completed point cloud to measure fidelity in the image space. Experiments show significant improvements over state-of-the-art supervised methods for both unimodal and multimodal completion. We also show the effectiveness of the self-supervised approach which outperforms a number of supervised methods and is competitive with the latest supervised models only exploiting point cloud information.

Online continual learning (OCL) aims to train neural networks incrementally from a non-stationary data stream with a single pass through data. Rehearsal-based methods attempt to approximate the observed input distributions over time with a small memory and revisit them later to avoid forgetting. Despite their strong empirical performance, rehearsal methods still suffer from a poor approximation of past data’s loss landscape with memory samples. This paper revisits the rehearsal dynamics in online settings. We provide theoretical insights on the inherent memory overfitting risk from the viewpoint of biased and dynamic empirical risk minimization, and examine the merits and limits of repeated rehearsal. Inspired by our analysis, a simple and intuitive baseline, repeated augmented rehearsal (RAR), is designed to address the underfitting-overfitting dilemma of online rehearsal. Surprisingly, across four rather different OCL benchmarks, this simple baseline outperforms vanilla rehearsal by 9\%-17\% and also significantly improves the state-of-the-art rehearsal-based methods MIR, ASER, and SCR. We also demonstrate that RAR successfully achieves an accurate approximation of the loss landscape of past data and high-loss ridge aversion in its learning trajectory. Extensive ablation studies are conducted to study the interplay between repeated and augmented rehearsal, and reinforcement learning (RL) is applied to dynamically adjust the hyperparameters of RAR to balance the stability-plasticity trade-off online.

A Bayesian pseudocoreset is a small synthetic dataset for which the posterior over parameters approximates that of the original dataset. While promising, the scalability of Bayesian pseudocoresets is not yet validated in large-scale problems such as image classification with deep neural networks. On the other hand, dataset distillation methods similarly construct a small dataset such that the optimization with the synthetic dataset converges to a solution similar to optimization with full data. Although dataset distillation has been empirically verified in large-scale settings, the framework is restricted to point estimates, and their adaptation to Bayesian inference has not been explored. This paper casts two representative dataset distillation algorithms as approximations to methods for constructing pseudocoresets by minimizing specific divergence measures: reverse KL divergence and Wasserstein distance. Furthermore, we provide a unifying view of such divergence measures in Bayesian pseudocoreset construction. Finally, we propose a novel Bayesian pseudocoreset algorithm based on minimizing forward KL divergence. Our empirical results demonstrate that the pseudocoresets constructed from these methods reflect the true posterior even in large-scale Bayesian inference problems.

There still remains an extreme performance gap between Vision Transformers (ViTs) and Convolutional Neural Networks (CNNs) when training from scratch on small datasets, which is concluded to the lack of inductive bias. In this paper, we further consider this problem and point out two weaknesses of ViTs in inductive biases, that is, the spatial relevance and diverse channel representation. First, on spatial aspect, objects are locally compact and relevant, thus fine-grained feature needs to be extracted from a token and its neighbors. While the lack of data hinders ViTs to attend the spatial relevance. Second, on channel aspect, representation exhibits diversity on different channels. But the scarce data can not enable ViTs to learn strong enough representation for accurate recognition. To this end, we propose Dynamic Hybrid Vision Transformer (DHVT) as the solution to enhance the two inductive biases. On spatial aspect, we adopt a hybrid structure, in which convolution is integrated into patch embedding and multi-layer perceptron module, forcing the model to capture the token features as well as their neighboring features. On channel aspect, we introduce a dynamic feature aggregation module in MLP and a brand new "head token" design in multi-head self-attention module to help re-calibrate channel representation and make different channel group representation interacts with each other. The fusion of weak channel representation forms a strong enough representation for classification. With this design, we successfully eliminate the performance gap between CNNs and ViTs, and our DHVT achieves a series of state-of-the-art performance with a lightweight model, 85.68% on CIFAR-100 with 22.8M parameters, 82.3% on ImageNet-1K with 24.0M parameters. Code is available at https://github.com/ArieSeirack/DHVT.

The factorization of state-action value functions for Multi-Agent Reinforcement Learning (MARL) is important. Existing studies are limited by their representation capability, sample efficiency, and approximation error. To address these challenges, we propose, ResQ, a MARL value function factorization method, which can find the optimal joint policy for any state-action value function through residual functions. ResQ masks some state-action value pairs from a joint state-action value function, which is transformed as the sum of a main function and a residual function. ResQ can be used with mean-value and stochastic-value RL. We theoretically show that ResQ can satisfy both the individual global max (IGM) and the distributional IGM principle without representation limitations. Through experiments on matrix games, the predator-prey, and StarCraft benchmarks, we show that ResQ can obtain better results than multiple expected/stochastic value factorization methods.

Much of sensory neuroscience focuses on sensory features that are chosen by the experimenter because they are thought to be behaviorally relevant to the organism. However, it is not generally known what these features are in complex, natural scenes. This work focuses on using the retinal encoding of natural movies to determine the presumably behaviorally-relevant features that the brain represents. It is prohibitive to parameterize a natural movie and its respective retinal encoding fully. We use time within a natural movie as a proxy for the whole suite of features evolving across the scene. We then use a task-agnostic deep architecture, an encoder-decoder, to model the retinal encoding process and characterize its representation of ``time in the natural scene'' in a compressed latent space. In our end-to-end training, an encoder learns a compressed latent representation from a large population of salamander retinal ganglion cells responding to natural movies, while a decoder samples from this compressed latent space to generate the appropriate movie frame. By comparing latent representations of retinal activity from three movies, we find that the retina performs transfer learning to encode time: the precise, low-dimensional representation of time learned from one movie can be used to represent time in a different movie, with up to 17ms resolution. We then show that static textures and velocity features of a natural movie are synergistic. The retina simultaneously encodes both to establishes a generalizable, low-dimensional representation of time in the natural scene.

Existing pipelines of semantic correspondence commonly include extracting high-level semantic features for the invariance against intra-class variations and background clutters. This architecture, however, inevitably results in a low-resolution matching field that additionally requires an ad-hoc interpolation process as a post-processing for converting it into a high-resolution one, certainly limiting the overall performance of matching results. To overcome this, inspired by recent success of implicit neural representation, we present a novel method for semantic correspondence, called Neural Matching Field (NeMF). However, complicacy and high-dimensionality of a 4D matching field are the major hindrances, which we propose a cost embedding network to process a coarse cost volume to use as a guidance for establishing high-precision matching field through the following fully-connected network. Nevertheless, learning a high-dimensional matching field remains challenging mainly due to computational complexity, since a na\"ive exhaustive inference would require querying from all pixels in the 4D space to infer pixel-wise correspondences. To overcome this, we propose adequate training and inference procedures, which in the training phase, we randomly sample matching candidates and in the inference phase, we iteratively performs PatchMatch-based inference and coordinate optimization at test time. With these combined, competitive results are attained on several standard benchmarks for semantic correspondence. Code and pre-trained weights are available at~\url{https://ku-cvlab.github.io/NeMF/}.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a “drift” function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing evaluation of GNNs lacks fine-grained analysis from various characteristics of graphs. Motivated by this, we conduct extensive experiments with a synthetic graph generator that can generate graphs having controlled characteristics for fine-grained analysis. Our empirical studies clarify the strengths and weaknesses of GNNs from four major characteristics of real-world graphs with class labels of nodes, i.e., 1) class size distributions (balanced vs. imbalanced), 2) edge connection proportions between classes (homophilic vs. heterophilic), 3) attribute values (biased vs. random), and 4) graph sizes (small vs. large). In addition, to foster future research on GNNs, we publicly release our codebase that allows users to evaluate various GNNs with various graphs. We hope this work offers interesting insights for future research.

Recent years have witnessed the rise of misinformation campaigns that spread specific narratives on social media to manipulate public opinions on different areas, such as politics and healthcare. Consequently, an effective and efficient automatic methodology to estimate the influence of the misinformation on user beliefs and activities is needed. However, existing works on misinformation impact estimation either rely on small-scale psychological experiments or can only discover the correlation between user behaviour and misinformation. To address these issues, in this paper, we build up a causal framework that model the causal effect of misinformation from the perspective of temporal point process. To adapt the large-scale data, we design an efficient yet precise way to estimate the \textbf{Individual Treatment Effect} (ITE) via neural temporal point process and gaussian mixture models. Extensive experiments on synthetic dataset verify the effectiveness and efficiency of our model. We further apply our model on a real-world dataset of social media posts and engagements about COVID-19 vaccines. The experimental results indicate that our model recognized identifiable causal effect of misinformation that hurts people's subjective emotions toward the vaccines.

Despite the rapid advance of unsupervised anomaly detection, existing methods require to train separate models for different objects. In this work, we present UniAD that accomplishes anomaly detection for multiple classes with a unified framework. Under such a challenging setting, popular reconstruction networks may fall into an "identical shortcut", where both normal and anomalous samples can be well recovered, and hence fail to spot outliers. To tackle this obstacle, we make three improvements. First, we revisit the formulations of fully-connected layer, convolutional layer, as well as attention layer, and confirm the important role of query embedding (i.e., within attention layer) in preventing the network from learning the shortcut. We therefore come up with a layer-wise query decoder to help model the multi-class distribution. Second, we employ a neighbor masked attention module to further avoid the information leak from the input feature to the reconstructed output feature. Third, we propose a feature jittering strategy that urges the model to recover the correct message even with noisy inputs. We evaluate our algorithm on MVTec-AD and CIFAR-10 datasets, where we surpass the state-of-the-art alternatives by a sufficiently large margin. For example, when learning a unified model for 15 categories in MVTec-AD, we surpass the second competitor on the tasks of both anomaly detection (from 88.1% to 96.5%) and anomaly localization (from 89.5% to 96.8%). Code is available at https://github.com/zhiyuanyou/UniAD.