ICLR 2022 论文列表

With recent progress in joint modeling of visual and textual representations, Vision-Language Pretraining (VLP) has achieved impressive performance on many multimodal downstream tasks. However, the requirement for expensive annotations including clean image captions and regional labels limits the scalability of existing approaches, and complicates the pretraining procedure with the introduction of multiple dataset-specific objectives. In this work, we relax these constraints and present a minimalist pretraining framework, named Simple Visual Language Model (SimVLM). Unlike prior work, SimVLM reduces the training complexity by exploiting large-scale weak supervision, and is trained end-to-end with a single prefix language modeling objective. Without utilizing extra data or task-specific customization, the resulting model significantly outperforms previous pretraining methods and achieves new state-of-the-art results on a wide range of discriminative and generative vision-language benchmarks, including VQA (+3.74% vqa-score), NLVR2 (+1.17% accuracy), SNLI-VE (+1.37% accuracy) and image captioning tasks (+10.1% average CIDEr score). Furthermore, we demonstrate that SimVLM acquires strong generalization and transfer ability, enabling zero-shot behavior including open-ended visual question answering and cross-modality transfer.

Numerous recent works utilize bi-Lipschitz regularization of neural network layers to preserve relative distances between data instances in the feature spaces of each layer. This distance sensitivity with respect to the data aids in tasks such as uncertainty calibration and out-of-distribution (OOD) detection. In previous works, features extracted with a distance sensitive model are used to construct feature covariance matrices which are used in deterministic uncertainty estimation or OOD detection. However, in cases where there is a distribution over tasks, these methods result in covariances which are sub-optimal, as they may not leverage all of the meta information which can be shared among tasks. With the use of an attentive set encoder, we propose to meta learn either diagonal or diagonal plus low-rank factors to efficiently construct task specific covariance matrices. Additionally, we propose an inference procedure which utilizes scaled energy to achieve a final predictive distribution which is well calibrated under a distributional dataset shift.

Traditional computer vision models are trained to predict a fixed set of predefined categories. Recently, natural language has been shown to be a broader and richer source of supervision that provides finer descriptions to visual concepts than supervised "gold" labels. Previous works, such as CLIP, use InfoNCE loss to train a model to predict the pairing between images and text captions. CLIP, however, is data hungry and requires more than 400M image-text pairs for training. The inefficiency can be \textit{partially} attributed to the fact that the image-text pairs are noisy. To address this, we propose OTTER (Optimal TransporT distillation for Efficient zero-shot Recognition), which uses online entropic optimal transport to find a soft image-text match as labels for contrastive learning. Based on pretrained image and text encoders, models trained with OTTER achieve strong performance with only 3M image text pairs. Compared with InfoNCE loss, label smoothing, and knowledge distillation, OTTER consistently outperforms these baselines in zero-shot evaluation on Google Open Images (19,958 classes) and multi-labeled ImageNet 10K (10032 classes) from Tencent ML-Images. Over 42 evaluations on 7 different dataset/architecture settings x 6 metrics, OTTER outperforms (32) or ties (2) all baselines in 34 of them. Our source code is open sourced at https://github.com/facebookresearch/OTTER.

Learning in games has become an object of intense interest for ML due to its connections to numerous AI architectures. We study standard online learning in games but from a non-standard perspective. Instead of studying the behavior of a single initial condition and whether it converges to equilibrium or not, we study the behavior of a probability distribution/measure over a set of initial conditions. This initial uncertainty is well-motivated both from a standard game-theoretic perspective (e.g. a modeler's uncertainty about the agents' initial beliefs) as well as from a ML one (e.g. noisy measurements, system initialization from a dataset distribution). Despite this, little is formally known about whether and under what conditions uncertainty is amplified or reduced in these systems. We use the popular measure of differential entropy to quantify the evolution of uncertainty. We find that such analysis shares an intimate relationship with volume analysis, a technique which was recently used to demonstrate the occurrence of Lyapunov chaos when using Multiplicative Weights Update (MWU) or Follow-the-Regularized-Leader (FTRL) algorithms in zero-sum games. This allows us to show that the differential entropy of these learning-in-game systems increases linearly with time, formalizing their increased unpredictability over time. We showcase the power of the framework by applying it in the study of multiple related systems, including different standard online optimization algorithms in numerous games and dynamics of evolutionary game theory.

Despite the recent success of Graph Neural Networks (GNNs), training GNNs on large graphs remains challenging. The limited resource capacities of the existing servers, the dependency between nodes in a graph, and the privacy concern due to the centralized storage and model learning have spurred the need to design an effective distributed algorithm for GNN training. However, existing distributed GNN training methods impose either excessive communication costs or large memory overheads that hinders their scalability. To overcome these issues, we propose a communication-efficient distributed GNN training technique named $\text{\textit{Learn Locally, Correct Globally}}$ (LLCG). To reduce the communication and memory overhead, each local machine in LLCG first trains a GNN on its local data by ignoring the dependency between nodes among different machines, then sends the locally trained model to the server for periodic model averaging. However, ignoring node dependency could result in significant performance degradation. To solve the performance degradation, we propose to apply $\text{\textit{Global Server Corrections}}$ on the server to refine the locally learned models. We rigorously analyze the convergence of distributed methods with periodic model averaging for training GNNs and show that naively applying periodic model averaging but ignoring the dependency between nodes will suffer from an irreducible residual error. However, this residual error can be eliminated by utilizing the proposed global corrections to entail fast convergence rate. Extensive experiments on real-world datasets show that LLCG can significantly improve the efficiency without hurting the performance.

In order to generalize well, classifiers must learn to be invariant to nuisance transformations that do not alter an input's class. Many problems have "class-agnostic" nuisance transformations that apply similarly to all classes, such as lighting and background changes for image classification. Neural networks can learn these invariances given sufficient data, but many real-world datasets are heavily class imbalanced and contain only a few examples for most of the classes. We therefore pose the question: how well do neural networks transfer class-agnostic invariances learned from the large classes to the small ones? Through careful experimentation, we observe that invariance to class-agnostic transformations is still heavily dependent on class size, with the networks being much less invariant on smaller classes. This result holds even when using data balancing techniques, and suggests poor invariance transfer across classes. Our results provide one explanation for why classifiers generalize poorly on unbalanced and long-tailed distributions. Based on this analysis, we show how a generative approach for learning the nuisance transformations can help transfer invariances across classes and improve performance on a set of imbalanced image classification benchmarks.

One of the key promises of model-based reinforcement learning is the ability to generalize using an internal model of the world to make predictions in novel environments and tasks. However, the generalization ability of model-based agents is not well understood because existing work has focused on model-free agents when benchmarking generalization. Here, we explicitly measure the generalization ability of model-based agents in comparison to their model-free counterparts. We focus our analysis on MuZero (Schrittwieser et al., 2020), a powerful model-based agent, and evaluate its performance on both procedural and task generalization. We identify three factors of procedural generalization---planning, self-supervised representation learning, and procedural data diversity---and show that by combining these techniques, we achieve state-of-the art generalization performance and data efficiency on Procgen (Cobbe et al., 2019). However, we find that these factors do not always provide the same benefits for the task generalization benchmarks in Meta-World (Yu et al., 2019), indicating that transfer remains a challenge and may require different approaches than procedural generalization. Overall, we suggest that building generalizable agents requires moving beyond the single-task, model-free paradigm and towards self-supervised model-based agents that are trained in rich, procedural, multi-task environments.

In contrast to single-objective optimization (SOO), multi-objective optimization (MOO) requires an optimizer to find the Pareto frontier, a subset of feasible solutions that are not dominated by other feasible solutions. In this paper, we propose LaMOO, a novel multi-objective optimizer that learns a model from observed samples to partition the search space and then focus on promising regions that are likely to contain a subset of the Pareto frontier. The partitioning is based on the dominance number, which measures "how close'' a data point is to the Pareto frontier among existing samples. To account for possible partition errors due to limited samples and model mismatch, we leverage Monte Carlo Tree Search (MCTS) to exploit promising regions while exploring suboptimal regions that may turn out to contain good solutions later. Theoretically, we prove the efficacy of learning space partitioning via LaMOO under certain assumptions. Empirically, on the HyperVolume (HV) benchmark, a popular MOO metric, LaMOO substantially outperforms strong baselines on multiple real-world MOO tasks, by up to 225% in sample efficiency for neural architecture search on Nasbench201, and up to 10% for molecular design.

We introduce a deep generative model for representation learning of biological sequences that, unlike existing models, explicitly represents the evolutionary process. The model makes use of a tree-structured Ornstein-Uhlenbeck process, obtained from a given phylogenetic tree, as an informative prior for a variational autoencoder. We show the model performs well on the task of ancestral sequence reconstruction of single protein families. Our results and ablation studies indicate that the explicit representation of evolution using a suitable tree-structured prior has the potential to improve representation learning of biological sequences considerably. Finally, we briefly discuss extensions of the model to genomic-scale data sets and the case of a latent phylogenetic tree.

There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean data, and its formulation for graph-structured data is not clear and remains under-explored, given two-fold fundamental challenges: 1) the inter-connection among nodes in one graph, which induces non-IID generation of data points even under the same environment, and 2) the structural information in the input graph, which is also informative for prediction. In this paper, we formulate the OOD problem on graphs and develop a new invariant learning approach, Explore-to-Extrapolate Risk Minimization (EERM), that facilitates graph neural networks to leverage invariance principles for prediction. EERM resorts to multiple context explorers (specified as graph structure editers in our case) that are adversarially trained to maximize the variance of risks from multiple virtual environments. Such a design enables the model to extrapolate from a single observed environment which is the common case for node-level prediction. We prove the validity of our method by theoretically showing its guarantee of a valid OOD solution and further demonstrate its power on various real-world datasets for handling distribution shifts from artificial spurious features, cross-domain transfers and dynamic graph evolution.

Complex sequential tasks in continuous-control settings often require agents to successfully traverse a set of ``narrow passages'' in their state space. Solving such tasks with a sparse reward in a sample-efficient manner poses a challenge to modern reinforcement learning (RL) due to the associated long-horizon nature of the problem and the lack of sufficient positive signal during learning. Various tools have been applied to address this challenge. When available, large sets of demonstrations can guide agent exploration. Hindsight relabelling on the other hand does not require additional sources of information. However, existing strategies explore based on task-agnostic goal distributions, which can render the solution of long-horizon tasks impractical. In this work, we extend hindsight relabelling mechanisms to guide exploration along task-specific distributions implied by a small set of successful demonstrations. We evaluate the approach on four complex, single and dual arm, robotics manipulation tasks against strong suitable baselines. The method requires far fewer demonstrations to solve all tasks and achieves a significantly higher overall performance as task complexity increases. Finally, we investigate the robustness of the proposed solution with respect to the quality of input representations and the number of demonstrations.

Point cloud sequence is an important data representation that provides flexible shape and motion information. Prior work demonstrates that incorporating scene flow information into loss can make model learn temporally coherent feature spaces. However, it is prohibitively expensive to acquire point correspondence information across frames in real-world environments. In this work, we propose a super-resolution generative adversarial network (GAN) for upsampling dynamic point cloud sequences, which does not require point correspondence annotation. Our model, Temporal Point cloud Upsampling GAN (TPU-GAN), can implicitly learn the underlying temporal coherence from point cloud sequence, which in turn guides the generator to produce temporally coherent output. In addition, we propose a learnable masking module to adapt upsampling ratio according to the point distribution. We conduct extensive experiments on point cloud sequences from two different domains: particles in the fluid dynamical system and human action scanned data. The quantitative and qualitative evaluation demonstrates the effectiveness of our method on upsampling tasks as well as learning temporal coherence from irregular point cloud sequences.

Graph Attention Networks (GATs) are one of the most popular GNN architectures and are considered as the state-of-the-art architecture for representation learning with graphs. In GAT, every node attends to its neighbors given its own representation as the query. However, in this paper we show that GAT computes a very limited kind of attention: the ranking of the attention scores is unconditioned on the query node. We formally define this restricted kind of attention as static attention and distinguish it from a strictly more expressive dynamic attention. Because GATs use a static attention mechanism, there are simple graph problems that GAT cannot express: in a controlled problem, we show that static attention hinders GAT from even fitting the training data. To remove this limitation, we introduce a simple fix by modifying the order of operations and propose GATv2: a dynamic graph attention variant that is strictly more expressive than GAT. We perform an extensive evaluation and show that GATv2 outperforms GAT across 12 OGB and other benchmarks while we match their parametric costs. Our code is available at https://github.com/tech-srl/how_attentive_are_gats . GATv2 is available as part of the PyTorch Geometric library, the Deep Graph Library, and the TensorFlow GNN library.

We study a contextual bandit setting where the learning agent has the ability to perform interventions on targeted subsets of the population, apart from possessing qualitative causal side-information. This novel formalism captures intricacies in real-world scenarios such as software product experimentation where targeted experiments can be conducted. However, this fundamentally changes the set of options that the agent has, compared to standard contextual bandit settings, necessitating new techniques. This is also the first work that integrates causal side-information in a contextual bandit setting, where the agent aims to learn a policy that maps contexts to arms (as opposed to just identifying one best arm). We propose a new algorithm, which we show empirically performs better than baselines on experiments that use purely synthetic data and on real world-inspired experiments. We also prove a bound on regret that theoretically guards performance.

Prior works on self-supervised pre-training focus on the joint training scenario, where massive unlabeled data are assumed to be given as input all at once, and only then is a learner trained. Unfortunately, such a problem setting is often impractical if not infeasible since many real-world tasks rely on sequential learning, e.g., data are decentralized or collected in a streaming fashion. In this paper, we conduct the first thorough and dedicated investigation on self-supervised pre-training with streaming data, aiming to shed light on the model behavior under this overlooked setup. Specifically, we pre-train over 500 models on four categories of pre-training streaming data from ImageNet and DomainNet and evaluate them on three types of downstream tasks and 12 different downstream datasets. Our studies show that, somehow beyond our expectation, with simple data replay or parameter regularization, sequential self-supervised pre-training turns out to be an efficient alternative for joint pre-training, as the performances of the former are mostly on par with those of the latter. Moreover, catastrophic forgetting, a common issue in sequential supervised learning, is much alleviated in sequential self-supervised learning (SSL), which is well justified through our comprehensive empirical analysis on representations and the sharpness of minima in the loss landscape. Our findings, therefore, suggest that, in practice, for SSL, the cumbersome joint training can be replaced mainly by sequential learning, which in turn enables a much broader spectrum of potential application scenarios.

In image generation, generative models can be evaluated naturally by visually inspecting model outputs. However, this is not always the case for graph generative models (GGMs), making their evaluation challenging. Currently, the standard process for evaluating GGMs suffers from three critical limitations: i) it does not produce a single score which makes model selection challenging, ii) in many cases it fails to consider underlying edge and node features, and iii) it is prohibitively slow to perform. In this work, we mitigate these issues by searching for \emph{scalar, domain-agnostic, and scalable metrics} for evaluating and ranking GGMs. To this end, we study existing GGM metrics and neural-network-based metrics emerging from generative models of images that use embeddings extracted from a task-specific network. Motivated by the power of Graph Neural Networks (GNNs) to extract meaningful graph representations \emph{without any training}, we introduce several metrics based on the features extracted by an untrained random GNN. We design experiments to thoroughly test and objectively score metrics on their ability to measure the diversity and fidelity of generated graphs, as well as their sample and computational efficiency. Depending on the quantity of samples, we recommend one of two metrics from our collection of random-GNN-based metrics. We show these two metrics to be more expressive than pre-existing and alternative random-GNN-based metrics using our objective scoring. While we focus on applying these metrics to GGM evaluation, in practice this enables the ability to easily compute the dissimilarity between any two sets of graphs \emph{regardless of domain}. Our code is released at: https://github.com/uoguelph-mlrg/GGM-metrics.

Trust region methods rigorously enabled reinforcement learning (RL) agents to learn monotonically improving policies, leading to superior performance on a variety of tasks. Unfortunately, when it comes to multi-agent reinforcement learning (MARL), the property of monotonic improvement may not simply apply; this is because agents, even in cooperative games, could have conflicting directions of policy updates. As a result, achieving a guaranteed improvement on the joint policy where each agent acts individually remains an open challenge. In this paper, we extend the theory of trust region learning to MARL. Central to our findings are the multi-agent advantage decomposition lemma and the sequential policy update scheme. Based on these, we develop Heterogeneous-Agent Trust Region Policy Optimisation (HATPRO) and Heterogeneous-Agent Proximal Policy Optimisation (HAPPO) algorithms. Unlike many existing MARL algorithms, HATRPO/HAPPO do not need agents to share parameters, nor do they need any restrictive assumptions on decomposibility of the joint value function. Most importantly, we justify in theory the monotonic improvement property of HATRPO/HAPPO. We evaluate the proposed methods on a series of Multi-Agent MuJoCo and StarCraftII tasks. Results show that HATRPO and HAPPO significantly outperform strong baselines such as IPPO, MAPPO and MADDPG on all tested tasks, thereby establishing a new state of the art.

Climate change is a major threat to humanity and the actions required to prevent its catastrophic consequences include changes in both policy-making and individual behaviour. However, taking action requires understanding its seemingly abstract and distant consequences. Projecting the potential impacts of extreme climate events such as flooding in familiar places can help make the impacts of climate change more concrete and encourage action. As part of a larger initiative to build a website (https://thisclimatedoesnotexist.com) that projects extreme climate events onto user-chosen photos, we present our solution to simulate photo-realistic floods on authentic images. To address this complex task in the absence of suitable data, we propose ClimateGAN, a model that leverages both simulated and real data through unsupervised domain adaptation and conditional image generation. In this paper, we describe the details of our framework, thoroughly evaluate the main components of our architecture and demonstrate that our model is capable of robustly generating photo-realistic flooding on street images.

Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.