NeurIPS 2022 Papers

While large-scale neural language models, such as GPT2 and BART, have achieved impressive results on various text generation tasks, they tend to get stuck in undesirable sentence-level loops with maximization-based decoding algorithms (\textit{e.g.}, greedy search). This phenomenon is counter-intuitive since there are few consecutive sentence-level repetitions in the human corpus (e.g., 0.02\% in Wikitext-103). To investigate the underlying reasons for generating consecutive sentence-level repetitions, we study the relationship between the probability of repetitive tokens and their previous repetitions in context. Through our quantitative experiments, we find that 1) Models have a preference to repeat the previous sentence; 2) The sentence-level repetitions have a \textit{self-reinforcement effect}: the more times a sentence is repeated in the context, the higher the probability of continuing to generate that sentence; 3) The sentences with higher initial probabilities usually have a stronger self-reinforcement effect. Motivated by our findings, we propose a simple and effective training method \textbf{DITTO} (Pseu\underline{D}o-Repet\underline{IT}ion Penaliza\underline{T}i\underline{O}n), where the model learns to penalize probabilities of sentence-level repetitions from synthetic repetitive data. Although our method is motivated by mitigating repetitions, our experiments show that DITTO not only mitigates the repetition issue without sacrificing perplexity, but also achieves better generation quality. Extensive experiments on open-ended text generation (Wikitext-103) and text summarization (CNN/DailyMail) demonstrate the generality and effectiveness of our method.

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information is implicitly taken into account in these two steps. We propose in this work a novel point of view, which places distances to some learnable graph templates at the core of the graph representation. This distance embedding is constructed thanks to an optimal transport distance: the Fused Gromov-Wasserstein (FGW) distance, which encodes simultaneously feature and structure dissimilarities by solving a soft graph-matching problem. We postulate that the vector of FGW distances to a set of template graphs has a strong discriminative power, which is then fed to a non-linear classifier for final predictions. Distance embedding can be seen as a new layer, and can leverage on existing message passing techniques to promote sensible feature representations. Interestingly enough, in our work the optimal set of template graphs is also learnt in an end-to-end fashion by differentiating through this layer. After describing the corresponding learning procedure, we empirically validate our claim on several synthetic and real life graph classification datasets, where our method is competitive or surpasses kernel and GNN state-of-the-art approaches. We complete our experiments by an ablation study and a sensitivity analysis to parameters.

Although image restoration has achieved significant progress, its potential to assist object detectors in adverse imaging conditions lacks enough attention. It is reported that the existing image restoration methods cannot improve the object detector performance and sometimes even reduce the detection performance. To address the issue, we propose a targeted adversarial attack in the restoration procedure to boost object detection performance after restoration. Specifically, we present an ADAM-like adversarial attack to generate pseudo ground truth for restoration training. Resultant restored images are close to original sharp images, and at the same time, lead to better results of object detection. We conduct extensive experiments in image dehazing and low light enhancement and show the superiority of our method over conventional training and other domain adaptation and multi-task methods. The proposed pipeline can be applied to all restoration methods and detectors in both one- and two-stage.

Supervised learning aims to train a classifier under the assumption that training and test data are from the same distribution. To ease the above assumption, researchers have studied a more realistic setting: out-of-distribution (OOD) detection, where test data may come from classes that are unknown during training (i.e., OOD data). Due to the unavailability and diversity of OOD data, good generalization ability is crucial for effective OOD detection algorithms. To study the generalization of OOD detection, in this paper, we investigate the probably approximately correct (PAC) learning theory of OOD detection, which is proposed by researchers as an open problem. First, we find a necessary condition for the learnability of OOD detection. Then, using this condition, we prove several impossibility theorems for the learnability of OOD detection under some scenarios. Although the impossibility theorems are frustrating, we find that some conditions of these impossibility theorems may not hold in some practical scenarios. Based on this observation, we next give several necessary and sufficient conditions to characterize the learnability of OOD detection in some practical scenarios. Lastly, we also offer theoretical supports for several representative OOD detection works based on our OOD theory.

Building machines that can reason about physical events and their causal relationships is crucial for flexible interaction with the physical world. However, most existing physical and causal reasoning benchmarks are exclusively based on synthetically generated events and synthetic natural language descriptions of the causal relationships. This design brings up two issues. First, there is a lack of diversity in both event types and natural language descriptions; second, causal relationships based on manually-defined heuristics are different from human judgments. To address both shortcomings, we present the CLEVRER-Humans benchmark, a video reasoning dataset for causal judgment of physical events with human labels. We employ two techniques to improve data collection efficiency: first, a novel iterative event cloze task to elicit a new representation of events in videos, which we term Causal Event Graphs (CEGs); second, a data augmentation technique based on neural language generative models. We convert the collected CEGs into questions and answers to be consistent with prior work. Finally, we study a collection of baseline approaches for CLEVRER-Humans question-answering, highlighting great challenges set forth by our benchmark.

Reinforcement learning (RL) in long horizon and sparse reward tasks is notoriously difficult and requires a lot of training steps. A standard solution to speed up the process is to leverage additional reward signals, shaping it to better guide the learning process. In the context of language-conditioned RL, the abstraction and generalisation properties of the language input provide opportunities for more efficient ways of shaping the reward. In this paper, we leverage this idea and propose an automated reward shaping method where the agent extracts auxiliary objectives from the general language goal. These auxiliary objectives use a question generation (QG) and a question answering (QA) system: they consist of questions leading the agent to try to reconstruct partial information about the global goal using its own trajectory. When it succeeds, it receives an intrinsic reward proportional to its confidence in its answer. This incentivizes the agent to generate trajectories which unambiguously explain various aspects of the general language goal. Our experimental study using various BabyAI environments shows that this approach, which does not require engineer intervention to design the auxiliary objectives, improves sample efficiency by effectively directing the exploration.

Subgraph GNNs are a recent class of expressive Graph Neural Networks (GNNs) which model graphs as collections of subgraphs. So far, the design space of possible Subgraph GNN architectures as well as their basic theoretical properties are still largely unexplored. In this paper, we study the most prominent form of subgraph methods, which employs node-based subgraph selection policies such as ego-networks or node marking and deletion. We address two central questions: (1) What is the upper-bound of the expressive power of these methods? and (2) What is the family of equivariant message passing layers on these sets of subgraphs?. Our first step in answering these questions is a novel symmetry analysis which shows that modelling the symmetries of node-based subgraph collections requires a significantly smaller symmetry group than the one adopted in previous works. This analysis is then used to establish a link between Subgraph GNNs and Invariant Graph Networks (IGNs). We answer the questions above by first bounding the expressive power of subgraph methods by 3-WL, and then proposing a general family of message-passing layers for subgraph methods that generalises all previous node-based Subgraph GNNs. Finally, we design a novel Subgraph GNN dubbed SUN, which theoretically unifies previous architectures while providing better empirical performance on multiple benchmarks.

This paper investigates the network load balancing problem in data centers (DCs) where multiple load balancers (LBs) are deployed, using the multi-agent reinforcement learning (MARL) framework. The challenges of this problem consist of the heterogeneous processing architecture and dynamic environments, as well as limited and partial observability of each LB agent in distributed networking systems, which can largely degrade the performance of in-production load balancing algorithms in real-world setups. Centralised training and distributed execution (CTDE) RL scheme has been proposed to improve MARL performance, yet it incurs -- especially in distributed networking systems, which prefer distributed and plug-and-play design schemes -- additional communication and management overhead among agents. We formulate the multi-agent load balancing problem as a Markov potential game, with a carefully and properly designed workload distribution fairness as the potential function. A fully distributed MARL algorithm is proposed to approximate the Nash equilibrium of the game. Experimental evaluations involve both an event-driven simulator and a real-world system, where the proposed MARL load balancing algorithm shows close-to-optimal performance in simulations and superior results over in-production LBs in the real-world system.

Fine-tuning pretrained language models (LMs) without making any architectural changes has become a norm for learning various language downstream tasks. However, for non-language downstream tasks, a common practice is to employ task-specific designs for input, output layers, and loss functions. For instance, it is possible to fine-tune an LM into an MNIST classifier by replacing the word embedding layer with an image patch embedding layer, the word token output layer with a 10-way output layer, and the word prediction loss with a 10-way classification loss, respectively. A natural question arises: Can LM fine-tuning solve non-language downstream tasks without changing the model architecture or loss function? To answer this, we propose Language-Interfaced Fine-Tuning (LIFT) and study its efficacy and limitations by conducting an extensive empirical study on a suite of non-language classification and regression tasks. LIFT does not make any changes to the model architecture or loss function, and it solely relies on the natural language interface, enabling "no-code machine learning with LMs." We find that LIFT performs comparably well across a wide range of low-dimensional classification and regression tasks, matching the performances of the best baselines in many cases, especially for the classification tasks. We also report experimental results on the fundamental properties of LIFT, including inductive bias, robustness, and sample complexity. We also analyze the effect of pretraining on LIFT and a few properties/techniques specific to LIFT, e.g., context-aware learning via appropriate prompting, calibrated predictions, data generation, and two-stage fine-tuning. Our code is available at https://github.com/UW-Madison-Lee-Lab/LanguageInterfacedFineTuning.

Recently, implicit graph neural networks (GNNs) have been proposed to capture long-range dependencies in underlying graphs. In this paper, we introduce and justify two weaknesses of implicit GNNs: the constrained expressiveness due to their limited effective range for capturing long-range dependencies, and their lack of ability to capture multiscale information on graphs at multiple resolutions. To show the limited effective range of previous implicit GNNs, we first provide a theoretical analysis and point out the intrinsic relationship between the effective range and the convergence of iterative equations used in these models. To mitigate the mentioned weaknesses, we propose a multiscale graph neural network with implicit layers (MGNNI) which is able to model multiscale structures on graphs and has an expanded effective range for capturing long-range dependencies. We conduct comprehensive experiments for both node classification and graph classification to show that MGNNI outperforms representative baselines and has a better ability for multiscale modeling and capturing of long-range dependencies.

Being able to discover diverse useful skills without external reward functions is beneficial in reinforcement learning research. Previous unsupervised skill discovery approaches mainly train different skills in parallel. Although impressive results have been provided, we found that parallel training procedure can sometimes block exploration when the state visited by different skills overlap, which leads to poor state coverage and restricts the diversity of learned skills. In this paper, we take a deeper look into this phenomenon and propose a novel framework to address this issue, which we call Recurrent Skill Training (ReST). Instead of training all the skills in parallel, ReST trains different skills one after another recurrently, along with a state coverage based intrinsic reward. We conduct experiments on a number of challenging 2D navigation environments and robotic locomotion environments. Evaluation results show that our proposed approach outperforms previous parallel training approaches in terms of state coverage and skill diversity. Videos of the discovered skills are available at https://sites.google.com/view/neurips22-rest.

Simulated humanoids are an appealing research domain due to their physical capabilities. Nonetheless, they are also challenging to control, as a policy must drive an unstable, discontinuous, and high-dimensional physical system. One widely studied approach is to utilize motion capture (MoCap) data to teach the humanoid agent low-level skills (e.g., standing, walking, and running) that can then be re-used to synthesize high-level behaviors. However, even with MoCap data, controlling simulated humanoids remains very hard, as MoCap data offers only kinematic information. Finding physical control inputs to realize the demonstrated motions requires computationally intensive methods like reinforcement learning. Thus, despite the publicly available MoCap data, its utility has been limited to institutions with large-scale compute. In this work, we dramatically lower the barrier for productive research on this topic by training and releasing high-quality agents that can track over three hours of MoCap data for a simulated humanoid in the dm_control physics-based environment. We release MoCapAct (Motion Capture with Actions), a dataset of these expert agents and their rollouts, which contain proprioceptive observations and actions. We demonstrate the utility of MoCapAct by using it to train a single hierarchical policy capable of tracking the entire MoCap dataset within dm_control and show the learned low-level component can be re-used to efficiently learn downstream high-level tasks. Finally, we use MoCapAct to train an autoregressive GPT model and show that it can control a simulated humanoid to perform natural motion completion given a motion prompt. Videos of the results and links to the code and dataset are available at https://microsoft.github.io/MoCapAct.

For zero-shot transfer in reinforcement learning where the reward function varies between different tasks, the successor features framework has been one of the popular approaches. However, in this framework, the transfer to new target tasks with generalized policy improvement (GPI) relies on only the source successor features [5] or additional successor features obtained from the function approximators’ generalization to novel inputs [11]. The goal of this work is to improve the transfer by more tightly bounding the value approximation errors of successor features on the new target tasks. Given a set of source tasks with their successor features, we present lower and upper bounds on the optimal values for novel task vectors that are expressible as linear combinations of source task vectors. Based on the bounds, we propose constrained GPI as a simple test-time approach that can improve transfer by constraining action-value approximation errors on new target tasks. Through experiments in the Scavenger and Reacher environment with state observations as well as the DeepMind Lab environment with visual observations, we show that the proposed constrained GPI significantly outperforms the prior GPI’s transfer performance. Our code and additional information are available at https://jaekyeom.github.io/projects/cgpi/.

We propose an information-theoretic knowledge distillation approach for the compression of generative adversarial networks, which aims to maximize the mutual information between teacher and student networks via a variational optimization based on an energy-based model. Because the direct computation of the mutual information in continuous domains is intractable, our approach alternatively optimizes the student network by maximizing the variational lower bound of the mutual information. To achieve a tight lower bound, we introduce an energy-based model relying on a deep neural network to represent a flexible variational distribution that deals with high-dimensional images and consider spatial dependencies between pixels, effectively. Since the proposed method is a generic optimization algorithm, it can be conveniently incorporated into arbitrary generative adversarial networks and even dense prediction networks, e.g., image enhancement models. We demonstrate that the proposed algorithm achieves outstanding performance in model compression of generative adversarial networks consistently when combined with several existing models.

A deep neural network using rectified linear units represents a continuous piecewise linear (CPWL) function and vice versa. Recent results in the literature estimated that the number of neurons needed to exactly represent any CPWL function grows exponentially with the number of pieces or exponentially in terms of the factorial of the number of distinct linear components. Moreover, such growth is amplified linearly with the input dimension. These existing results seem to indicate that the cost of representing a CPWL function is expensive. In this paper, we propose much tighter bounds and establish a polynomial time algorithm to find a network satisfying these bounds for any given CPWL function. We prove that the number of hidden neurons required to exactly represent any CPWL function is at most a quadratic function of the number of pieces. In contrast to all previous results, this upper bound is invariant to the input dimension. Besides the number of pieces, we also study the number of distinct linear components in CPWL functions. When such a number is also given, we prove that the quadratic complexity turns into bilinear, which implies a lower neural complexity because the number of distinct linear components is always not greater than the minimum number of pieces in a CPWL function. When the number of pieces is unknown, we prove that, in terms of the number of distinct linear components, the neural complexities of any CPWL function are at most polynomial growth for low-dimensional inputs and factorial growth for the worst-case scenario, which are significantly better than existing results in the literature.

Optimal transport (OT) theory describes general principles to define and select, among many possible choices, the most efficient way to map a probability measure onto another. That theory has been mostly used to estimate, given a pair of source and target probability measures $(\mu,\nu)$, a parameterized map $T_\theta$ that can efficiently map $\mu$ onto $\nu$. In many applications, such as predicting cell responses to treatments, pairs of input/output data measures $(\mu,\nu)$ that define optimal transport problems do not arise in isolation but are associated with a context $c$, as for instance a treatment when comparing populations of untreated and treated cells. To account for that context in OT estimation, we introduce CondOT, a multi-task approach to estimate a family of OT maps conditioned on a context variable, using several pairs of measures $(\mu_i, \nu_i)$ tagged with a context label $c_i$. CondOT learns a global map $\mathcal{T}_{\theta}$ conditioned on context that is not only expected to fit all labeled pairs in the dataset $\{(c_i, (\mu_i, \nu_i))\}$, i.e., $\mathcal{T}_{\theta}(c_i) \sharp\mu_i \approx \nu_i$, but should also generalize to produce meaningful maps $\mathcal{T}_{\theta}(c_{\text{new}})$ when conditioned on unseen contexts $c_{\text{new}}$. Our approach harnesses and provides a novel usage for partially input convex neural networks, for which we introduce a robust and efficient initialization strategy inspired by Gaussian approximations. We demonstrate the ability of CondOT to infer the effect of an arbitrary combination of genetic or therapeutic perturbations on single cells, using only observations of the effects of said perturbations separately.

Recent neural methods for vehicle routing problems always train and test the deep models on the same instance distribution (i.e., uniform). To tackle the consequent cross-distribution generalization concerns, we bring the knowledge distillation to this field and propose an Adaptive Multi-Distribution Knowledge Distillation (AMDKD) scheme for learning more generalizable deep models. Particularly, our AMDKD leverages various knowledge from multiple teachers trained on exemplar distributions to yield a light-weight yet generalist student model. Meanwhile, we equip AMDKD with an adaptive strategy that allows the student to concentrate on difficult distributions, so as to absorb hard-to-master knowledge more effectively. Extensive experimental results show that, compared with the baseline neural methods, our AMDKD is able to achieve competitive results on both unseen in-distribution and out-of-distribution instances, which are either randomly synthesized or adopted from benchmark datasets (i.e., TSPLIB and CVRPLIB). Notably, our AMDKD is generic, and consumes less computational resources for inference.

This paper presents a text classification algorithm inspired by the notion of superposition of states in quantum physics. By regarding text as a superposition of words, we derive the wave function of a document and we compute the transition probability of the document to a target class according to Born's rule. Two complementary implementations are presented. In the first one, wave functions are calculated explicitly. The second implementation embeds the classifier in a neural network architecture. Through analysis of three benchmark datasets, we illustrate several aspects of the proposed method, such as classification performance, explainability, and computational efficiency. These ideas are also applicable to non-textual data.

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge incompleteness and particularly, the absence of graphs altogether. While a plausible solution is to learn new adaptive topology for message passing, issues concerning quadratic complexity hinder simultaneous guarantees for scalability and precision in large networks. In this paper, we introduce a novel all-pair message passing scheme for efficiently propagating node signals between arbitrary nodes, as an important building block for a new class of Transformer networks for node classification on large graphs, dubbed as NodeFormer. Specifically, the efficient computation is enabled by a kernerlized Gumbel-Softmax operator that reduces the algorithmic complexity to linearity w.r.t. node numbers for learning latent graph structures from large, potentially fully-connected graphs in a differentiable manner. We also provide accompanying theory as justification for our design. Extensive experiments demonstrate the promising efficacy of the method in various tasks including node classification on graphs (with up to 2M nodes) and graph-enhanced applications (e.g., image classification) where input graphs are missing. The codes are available at https://github.com/qitianwu/NodeFormer.