ICLR 2023 论文列表

Safety-critical applications such as autonomous driving require robust object detection invariant to real-world domain shifts. Such shifts can be regarded as different domain styles, which can vary substantially due to environment changes and sensor noises, but deep models only know the training domain style. Such domain style gap impedes object detection generalization on diverse real-world domains. Existing classification domain generalization (DG) methods cannot effectively solve the robust object detection problem, because they either rely on multiple source domains with large style variance or destroy the content structures of the original images. In this paper, we analyze and investigate effective solutions to overcome domain style overfitting for robust object detection without the above shortcomings. Our method, dubbed as Normalization Perturbation (NP), perturbs the channel statistics of source domain low-level features to synthesize various latent styles, so that the trained deep model can perceive diverse potential domains and generalizes well even without observations of target domain data in training. This approach is motivated by the observation that feature channel statistics of the target domain images deviate around the source domain statistics. We further explore the style-sensitive channels for effective style synthesis. Normalization Perturbation only relies on a single source domain and is surprisingly simple and effective, contributing a practical solution by effectively adapting or generalizing classification DG methods to robust object detection. Extensive experiments demonstrate the effectiveness of our method for generalizing object detectors under real-world domain shifts.

Evaluating hypothetical statements about how the world would be had a different course of action been taken is arguably one key capability expected from modern AI systems. Counterfactual reasoning underpins discussions in fairness, the determination of blame and responsibility, credit assignment, and regret. In this paper, we study the evaluation of counterfactual statements through neural models. Specifically, we tackle two causal problems required to make such evaluations, i.e., counterfactual identification and estimation from an arbitrary combination of observational and experimental data. First, we show that neural causal models (NCMs) are expressive enough and encode the structural constraints necessary for performing counterfactual reasoning. Second, we develop an algorithm for simultaneously identifying and estimating counterfactual distributions. We show that this algorithm is sound and complete for deciding counterfactual identification in general settings. Third, considering the practical implications of these results, we introduce a new strategy for modeling NCMs using generative adversarial networks. Simulations corroborate with the proposed methodology.

Unsupervised domain adaptation for video recognition is challenging where the domain shift includes both spatial variations and temporal dynamics. Previous works have focused on exploring contrastive learning for cross-domain alignment. However, limited variations in intra-domain positives, false cross-domain positives, and false negatives hinder contrastive learning from fulfilling intra-domain discrimination and cross-domain closeness. This paper presents a non-contrastive learning framework without relying on negative samples for unsupervised video domain adaptation. To address the limited variations in intra-domain positives, we set unlabeled target videos as anchors and explored to mine "informative intra-domain positives" in the form of spatial/temporal augmentations and target nearest neighbors (NNs). To tackle the false cross-domain positives led by noisy pseudo-labels, we reversely set source videos as anchors and sample the synthesized target videos as "robust cross-domain positives" from an estimated target distribution, which are naturally more robust to the pseudo-label noise. Our approach is demonstrated to be superior to state-of-the-art methods through extensive experiments on several cross-domain action recognition benchmarks.

We introduce a practical method to enforce partial differential equation (PDE) constraints for functions defined by neural networks (NNs), with a high degree of accuracy and up to a desired tolerance. We develop a differentiable PDE-constrained layer that can be incorporated into any NN architecture. Our method leverages differentiable optimization and the implicit function theorem to effectively enforce physical constraints. Inspired by dictionary learning, our model learns a family of functions, each of which defines a mapping from PDE parameters to PDE solutions. At inference time, the model finds an optimal linear combination of the functions in the learned family by solving a PDE-constrained optimization problem. Our method provides continuous solutions over the domain of interest that accurately satisfy desired physical constraints. Our results show that incorporating hard constraints directly into the NN architecture achieves much lower test error when compared to training on an unconstrained objective.

Unlike vision and language data which usually has a unique format, molecules can naturally be characterized using different chemical formulations. One can view a molecule as a 2D graph or define it as a collection of atoms located in a 3D space. For molecular representation learning, most previous works designed neural networks only for a particular data format, making the learned models likely to fail for other data formats. We believe a general-purpose neural network model for chemistry should be able to handle molecular tasks across data modalities. To achieve this goal, in this work, we develop a novel Transformer-based Molecular model called Transformer-M, which can take molecular data of 2D or 3D formats as input and generate meaningful semantic representations. Using the standard Transformer as the backbone architecture, Transformer-M develops two separated channels to encode 2D and 3D structural information and incorporate them with the atom features in the network modules. When the input data is in a particular format, the corresponding channel will be activated, and the other will be disabled. By training on 2D and 3D molecular data with properly designed supervised signals, Transformer-M automatically learns to leverage knowledge from different data modalities and correctly capture the representations. We conducted extensive experiments for Transformer-M. All empirical results show that Transformer-M can simultaneously achieve strong performance on 2D and 3D tasks, suggesting its broad applicability. The code and models will be made publicly available at https://github.com/lsj2408/Transformer-M.

The Strong Lottery Ticket Hypothesis (SLTH) stipulates the existence of a subnetwork within a sufficiently overparameterized (dense) neural network that---when initialized randomly and without any training---achieves the accuracy of a fully trained target network. Recent works by Da Cunha et. al 2022, Burkholz 2022 demonstrate that the SLTH can be extended to translation equivariant networks---i.e. CNNs---with the same level of overparametrization as needed for the SLTs in dense networks. However, modern neural networks are capable of incorporating more than just translation symmetry, and developing general equivariant architectures such as rotation and permutation has been a powerful design principle. In this paper, we generalize the SLTH to functions that preserve the action of the group $G$---i.e. $G$-equivariant network---and prove, with high probability, that one can approximate any $G$-equivariant network of fixed width and depth by pruning a randomly initialized overparametrized $G$-equivariant network to a $G$-equivariant subnetwork. We further prove that our prescribed overparametrization scheme is optimal and provide a lower bound on the number of effective parameters as a function of the error tolerance. We develop our theory for a large range of groups, including subgroups of the Euclidean $\text{E}(2)$ and Symmetric group $G \leq \mathcal{S}_n$---allowing us to find SLTs for MLPs, CNNs, $\text{E}(2)$-steerable CNNs, and permutation equivariant networks as specific instantiations of our unified framework. Empirically, we verify our theory by pruning overparametrized $\text{E}(2)$-steerable CNNs, $k$-order GNNs, and message passing GNNs to match the performance of trained target networks.

Data augmentations are effective in improving the invariance of learning machines. We argue that the core challenge of data augmentations lies in designing data transformations that preserve labels. This is relatively straightforward for images, but much more challenging for graphs. In this work, we propose GraphAug, a novel automated data augmentation method aiming at computing label-invariant augmentations for graph classification. Instead of using uniform transformations as in existing studies, GraphAug uses an automated augmentation model to avoid compromising critical label-related information of the graph, thereby producing label-invariant augmentations at most times. To ensure label-invariance, we develop a training method based on reinforcement learning to maximize an estimated label-invariance probability. Experiments show that GraphAug outperforms previous graph augmentation methods on various graph classification tasks.

Finding equilibria via gradient play in competitive multi-agent games has been attracting a growing amount of attention in recent years, with emphasis on designing efficient strategies where the agents operate in a decentralized and symmetric manner with guaranteed convergence. While significant efforts have been made in understanding zero-sum two-player matrix games, the performance in zero-sum multi-agent games remains inadequately explored, especially in the presence of delayed feedbacks, leaving the scalability and resiliency of gradient play open to questions. In this paper, we make progress by studying asynchronous gradient plays in zero-sum polymatrix games under delayed feedbacks. We first establish that the last iterate of entropy-regularized optimistic multiplicative weight updates (OMWU) method converges linearly to the quantal response equilibrium (QRE), the solution concept under bounded rationality, in the absence of delays. The linear convergence continues to hold even when the feedbacks are randomly delayed under mild statistical assumptions, albeit at a slower rate. Moving beyond random delays, we further demonstrate entropy-regularized OMWU with two-timescale learning rates enjoys faster last-iterate convergence under fixed delays, and continues to converge provably even when the delays are arbitrarily bounded. Our methods also lead to finite-time guarantees to approximate the Nash equilibrium (NE) by moderating the amount of regularization. To the best of our knowledge, this work is the first that aims to understand asynchronous gradient play in zero-sum polymatrix games under a wide range of delay assumptions.

We present Phenaki, a model capable of realistic video synthesis given a sequence of textual prompts. Generating videos from text is particularly challenging due to the computational cost, limited quantities of high quality text-video data and variable length of videos. To address these issues, we introduce a new causal model for learning video representation which compresses the video to a small discrete tokens representation. This tokenizer is auto-regressive in time, which allows it to work with video representations of different length. To generate video tokens from text we are using a bidirectional masked transformer conditioned on pre-computed text tokens. The generated video tokens are subsequently de-tokenized to create the actual video. To address data issues, we demonstrate how joint training on a large corpus of image-text pairs as well as a smaller number of video-text examples can result in generalization beyond what is available in the video datasets. Compared to the previous video generation methods, Phenaki can generate arbitrary long videos conditioned on a sequence of prompts (i.e. time variable text or story) in open domain. To the best of our knowledge, this is the first time a paper studies generating videos from time variable prompts.

When deploying Reinforcement Learning (RL) agents into a physical system, we must ensure that these agents are well aware of the underlying constraints. In many real-world problems, however, the constraints are often hard to specify mathematically and unknown to the RL agents. To tackle these issues, Inverse Constrained Reinforcement Learning (ICRL) empirically estimates constraints from expert demonstrations. As an emerging research topic, ICRL does not have common benchmarks, and previous works tested algorithms under hand-crafted environments with manually-generated expert demonstrations. In this paper, we construct an ICRL benchmark in the context of RL application domains, including robot control, and autonomous driving. For each environment, we design relevant constraints and train expert agents to generate demonstration data. Besides, unlike existing baselines that learn a deterministic constraint, we propose a variational ICRL method to model a posterior distribution of candidate constraints. We conduct extensive experiments on these algorithms under our benchmark and show how they can facilitate studying important research challenges for ICRL. The benchmark, including the instructions for reproducing ICRL algorithms, is available at https://github.com/Guiliang/ICRL-benchmarks-public.

The problem of optimization on Stiefel manifold, i.e., minimizing functions of (not necessarily square) matrices that satisfy orthogonality constraints, has been extensively studied. Yet, a new approach is proposed based on, for the first time, an interplay between thoughtfully designed continuous and discrete dynamics. It leads to a gradient-based optimizer with intrinsically added momentum. This method exactly preserves the manifold structure but does not require additional operation to keep momentum in the changing (co)tangent space, and thus has low computational cost and pleasant accuracy. Its generalization to adaptive learning rates is also demonstrated. Notable performances are observed in practical tasks. For instance, we found that placing orthogonal constraints on attention heads of trained-from-scratch Vision Transformer (Dosovitskiy et al., 2020) could markedly improve its performance, when our optimizer is used, and it is better that each head is made orthogonal within itself but not necessarily to other heads. This optimizer also makes the useful notion of Projection Robust Wasserstein Distance (Paty and Cuturi, 2019; Lin et al., 2020) for high-dim. optimal transport even more effective.

Search over audio sequences is a fundamental problem. In this paper, we propose a method to extract concise discrete representations for audio that can be used for efficient retrieval. Our motivation comes from orthography which represents speech of a given language in a concise and distinct discrete form. The proposed method, wav2tok, learns such representations for any kind of audio, speech or non-speech, from pairs of similar audio. wav2tok compresses the query and target sequences into shorter sequences of tokens that are faster to match. The learning method makes use of CTC loss and expectation-maximization algorithm, which are generally used for supervised automatic speech recognition and for learning discrete latent variables, respectively. Experiments show the consistent performance of wav2tok across two audio retrieval tasks: music search (query by humming) and speech search via audio query, outperforming state-of-the-art baselines.

Though Self-supervised learning (SSL) has been widely studied as a promising technique for representation learning, it doesn't generalize well on long-tailed datasets due to the majority classes dominating the feature space. Recent work shows that the long-tailed learning performance could be boosted by sampling extra in-domain (ID) data for self-supervised training, however, large-scale ID data which can rebalance the minority classes are expensive to collect. In this paper, we propose an alternative but easy-to-use and effective solution, \textbf{C}ontrastive with \textbf{O}ut-of-distribution (OOD) data for \textbf{L}ong-\textbf{T}ail learning (COLT), which can effectively exploit OOD data to dynamically re-balance the feature space. We empirically identify the counter-intuitive usefulness of OOD samples in SSL long-tailed learning and principally design a novel SSL method. Concretely, we first localize the `\emph{head}' and `\emph{tail}' samples by assigning a tailness score to each OOD sample based on its neighborhoods in the feature space. Then, we propose an online OOD sampling strategy to dynamically re-balance the feature space. Finally, we enforce the model to be capable of distinguishing ID and OOD samples by a distribution-level supervised contrastive loss. Extensive experiments are conducted on various datasets and several state-of-the-art SSL frameworks to verify the effectiveness of the proposed method. The results show that our method significantly improves the performance of SSL on long-tailed datasets by a large margin, and even outperforms previous work which uses external ID data. Our code is available at \url{https://github.com/JianhongBai/COLT}.

We introduce an optimal transport-based model for learning a metric tensor from cross-sectional samples of evolving probability measures on a common Riemannian manifold. We neurally parametrize the metric as a spatially-varying matrix field and efficiently optimize our model's objective using a simple alternating scheme. Using this learned metric, we can non-linearly interpolate between probability measures and compute geodesics on the manifold. We show that metrics learned using our method improve the quality of trajectory inference on scRNA and bird migration data at the cost of little additional cross-sectional data.

$k$NN-MT is a straightforward yet powerful approach for fast domain adaptation, which directly plugs the pre-trained neural machine translation (NMT) models with domain-specific token-level $k$-nearest-neighbor ($k$NN) retrieval to achieve domain adaptation without retraining. Despite being conceptually attractive, $k$NN-MT is burdened with massive storage requirements and high computational complexity since it conducts nearest neighbor searches over the entire reference corpus. In this paper, we propose a simple and scalable nearest neighbor machine translation framework to drastically promote the decoding and storage efficiency of $k$NN-based models while maintaining the translation performance. To this end, we dynamically construct a extremely small datastore for each input via sentence-level retrieval to avoid searching the entire datastore in vanilla $k$NN-MT, based on which we further introduce a distance-aware adapter to adaptively incorporate the $k$NN retrieval results into the pre-trained NMT models. Experiments on machine translation in two general settings, static domain adaptation, and online learning, demonstrate that our proposed approach not only achieves almost 90% speed as the NMT model without performance degradation, but also significantly reduces the storage requirements of $k$NN-MT.

A central theme in federated learning (FL) is the fact that client data distributions are often not independent and identically distributed (IID), which has strong implications on the training process. While most existing FL algorithms focus on the conventional non-IID setting of class imbalance or missing classes across clients, in practice, the distribution differences could be more complex, e.g., changes in class conditional (domain) distributions. In this paper, we consider this complex case in FL wherein each client has access to only one domain distribution. For tasks such as domain generalization, most existing learning algorithms require access to data from multiple clients (i.e., from multiple domains) during training, which is prohibitive in FL. To address this challenge, we propose a federated domain translation method that generates pseudodata for each client which could be useful for multiple downstream learning tasks. We empirically demonstrate that our translation model is more resource-efficient (in terms of both communication and computation) and easier to train in an FL setting than standard domain translation methods. Furthermore, we demonstrate that the learned translation model enables use of state-of-the-art domain generalization methods in a federated setting, which enhances accuracy and robustness to increases in the synchronization period compared to existing methodology.

We study embodied reference understanding, the task of locating referents using embodied gestural signals and language references. Human studies have revealed that, contrary to popular belief, objects referred to or pointed to do not lie on the elbow-wrist line, but rather on the so-called virtual touch line. Nevertheless, contemporary human pose representations lack the virtual touch line. To tackle this problem, we devise the touch-line Transformer: It takes as input tokenized visual and textual features and simultaneously predicts the referent’s bounding box and a touch-line vector. Leveraging this touch-line prior, we further devise a geometric consistency loss that promotes co-linearity between referents and touch lines. Using the touch line as gestural information dramatically improves model performances: Experiments on the YouRefIt dataset demonstrate that our method yields a +25.0% accuracy improvement under the 0.75 IoU criterion, hence closing 63.6% of the performance difference between models and humans. Furthermore, we computationally validate prior human studies by demonstrating that computational models more accurately locate referents when employing the virtual touch line than when using the elbow-wrist line.

Constraint satisfaction problems (CSPs) are about finding values of variables that satisfy the given constraints. We show that Transformer extended with recurrence is a viable approach to learning to solve CSPs in an end-to-end manner, having clear advantages over state-of-the-art methods such as Graph Neural Networks, SATNet, and some neuro-symbolic models. With the ability of Transformer to handle visual input, the proposed Recurrent Transformer can straightforwardly be applied to visual constraint reasoning problems while successfully addressing the symbol grounding problem. We also show how to leverage deductive knowledge of discrete constraints in the Transformer's inductive learning to achieve sample-efficient learning and semi-supervised learning for CSPs.

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current graph transformers suffer from the bottleneck of improving performance by increasing depth. Our further analysis reveals the reason is that deep graph transformers are limited by the vanishing capacity of global attention, restricting the graph transformer from focusing on the critical substructure and obtaining expressive features. To this end, we propose a novel graph transformer model named DeepGraph that explicitly employs substructure tokens in the encoded representation, and applies local attention on related nodes to obtain substructure based attention encoding. Our model enhances the ability of the global attention to focus on substructures and promotes the expressiveness of the representations, addressing the limitation of self-attention as the graph transformer deepens. Experiments show that our method unblocks the depth limitation of graph transformers and results in state-of-the-art performance across various graph benchmarks with deeper models.