ICML 2022 Papers

The von Neumann-Morgenstern (VNM) utility theorem shows that under certain axioms of rationality, decision-making is reduced to maximizing the expectation of some utility function. We extend these axioms to increasingly structured sequential decision making settings and identify the structure of the corresponding utility functions. In particular, we show that memoryless preferences lead to a utility in the form of a per transition reward and multiplicative factor on the future return. This result motivates a generalization of Markov Decision Processes (MDPs) with this structure on the agent’s returns, which we call Affine-Reward MDPs. A stronger constraint on preferences is needed to recover the commonly used cumulative sum of scalar rewards in MDPs. A yet stronger constraint simplifies the utility function for goal-seeking agents in the form of a difference in some function of states that we call potential functions. Our necessary and sufficient conditions demystify the reward hypothesis that underlies the design of rational agents in reinforcement learning by adding an axiom to the VNM rationality axioms and motivates new directions for AI research involving sequential decision making.

Unsupervised/self-supervised time series representation learning is a challenging problem because of its complex dynamics and sparse annotations. Existing works mainly adopt the framework of contrastive learning with the time-based augmentation techniques to sample positives and negatives for contrastive training. Nevertheless, they mostly use segment-level augmentation derived from time slicing, which may bring about sampling bias and incorrect optimization with false negatives due to the loss of global context. Besides, they all pay no attention to incorporate the spectral information in feature representation. In this paper, we propose a unified framework, namely Bilinear Temporal-Spectral Fusion (BTSF). Specifically, we firstly utilize the instance-level augmentation with a simple dropout on the entire time series for maximally capturing long-term dependencies. We devise a novel iterative bilinear temporal-spectral fusion to explicitly encode the affinities of abundant time-frequency pairs, and iteratively refines representations in a fusion-and-squeeze manner with Spectrum-to-Time (S2T) and Time-to-Spectrum (T2S) Aggregation modules. We firstly conducts downstream evaluations on three major tasks for time series including classification, forecasting and anomaly detection. Experimental results shows that our BTSF consistently significantly outperforms the state-of-the-art methods.

We propose a new representation of visual data that disentangles object position from appearance. Our method, termed Deep Latent Particles (DLP), decomposes the visual input into low-dimensional latent “particles”, where each particle is described by its spatial location and features of its surrounding region. To drive learning of such representations, we follow a VAE-based based approach and introduce a prior for particle positions based on a spatial-Softmax architecture, and a modification of the evidence lower bound loss inspired by the Chamfer distance between particles. We demonstrate that our DLP representations are useful for downstream tasks such as unsupervised keypoint (KP) detection, image manipulation, and video prediction for scenes composed of multiple dynamic objects. In addition, we show that our probabilistic interpretation of the problem naturally provides uncertainty estimates for particle locations, which can be used for model selection, among other tasks.

Defining meaningful distances between samples in a dataset is a fundamental problem in machine learning. Optimal Transport (OT) lifts a distance between features (the "ground metric") to a geometrically meaningful distance between samples. However, there is usually no straightforward choice of ground metric. Supervised ground metric learning approaches exist but require labeled data. In absence of labels, only ad-hoc ground metrics remain. Unsupervised ground metric learning is thus a fundamental problem to enable data-driven applications of OT. In this paper, we propose for the first time a canonical answer by simultaneously computing an OT distance between samples and between features of a dataset. These distance matrices emerge naturally as positive singular vectors of the function mapping ground metrics to OT distances. We provide criteria to ensure the existence and uniqueness of these singular vectors. We then introduce scalable computational methods to approximate them in high-dimensional settings, using stochastic approximation and entropic regularization. Finally, we showcase Wasserstein Singular Vectors on a single-cell RNA-sequencing dataset.

How to properly model the inter-frame relation within the video sequence is an important but unsolved challenge for video restoration (VR). In this work, we propose an unsupervised flow-aligned sequence-to-sequence model (S2SVR) to address this problem. On the one hand, the sequence-to-sequence model, which has proven capable of sequence modeling in the field of natural language processing, is explored for the first time in VR. Optimized serialization modeling shows potential in capturing long-range dependencies among frames. On the other hand, we equip the sequence-to-sequence model with an unsupervised optical flow estimator to maximize its potential. The flow estimator is trained with our proposed unsupervised distillation loss, which can alleviate the data discrepancy and inaccurate degraded optical flow issues of previous flow-based methods. With reliable optical flow, we can establish accurate correspondence among multiple frames, narrowing the domain difference between 1D language and 2D misaligned frames and improving the potential of the sequence-to-sequence model. S2SVR shows superior performance in multiple VR tasks, including video deblurring, video super-resolution, and compressed video quality enhancement. https://github.com/linjing7/VR-Baseline

We propose a fully unsupervised method to detect bias in contextualized embeddings. The method leverages the assortative information latently encoded by social networks and combines orthogonality regularization, structured sparsity learning, and graph neural networks to find the embedding subspace capturing this information. As a concrete example, we focus on the phenomenon of ideological bias: we introduce the concept of an ideological subspace, show how it can be found by applying our method to online discussion forums, and present techniques to probe it. Our experiments suggest that the ideological subspace encodes abstract evaluative semantics and reflects changes in the political left-right spectrum during the presidency of Donald Trump.

Vision transformers using self-attention or its proposed alternatives have demonstrated promising results in many image related tasks. However, the underpinning inductive bias of attention is not well understood. To address this issue, this paper analyzes attention through the lens of convex duality. For the non-linear dot-product self-attention, and alternative mechanisms such as MLP-mixer and Fourier Neural Operator (FNO), we derive equivalent finite-dimensional convex problems that are interpretable and solvable to global optimality. The convex programs lead to block nuclear-norm regularization that promotes low rank in the latent feature and token dimensions. In particular, we show how self-attention networks implicitly clusters the tokens, based on their latent similarity. We conduct experiments for transferring a pre-trained transformer backbone for CIFAR-100 classification by fine-tuning a variety of convex attention heads. The results indicate the merits of the bias induced by attention compared with the existing MLP or linear heads.

Foundational work on the Lottery Ticket Hypothesis has suggested an exciting corollary: winning tickets found in the context of one task can be transferred to similar tasks, possibly even across different architectures. This has generated broad interest, but methods to study this universality are lacking. We make use of renormalization group theory, a powerful tool from theoretical physics, to address this need. We find that iterative magnitude pruning, the principal algorithm used for discovering winning tickets, is a renormalization group scheme, and can be viewed as inducing a flow in parameter space. We demonstrate that ResNet-50 models with transferable winning tickets have flows with common properties, as would be expected from the theory. Similar observations are made for BERT models, with evidence that their flows are near fixed points. Additionally, we leverage our framework to study winning tickets transferred across ResNet architectures, observing that smaller models have flows with more uniform properties than larger models, complicating transfer between them.

Model selection in contextual bandits is an important complementary problem to regret minimization with respect to a fixed model class. We consider the simplest non-trivial instance of model-selection: distinguishing a simple multi-armed bandit problem from a linear contextual bandit problem. Even in this instance, current state-of-the-art methods explore in a suboptimal manner and require strong "feature-diversity" conditions. In this paper, we introduce new algorithms that a) explore in a data-adaptive manner, and b) provide model selection guarantees of the form O(d^{\alpha} T^{1 - \alpha}) with no feature diversity conditions whatsoever, where d denotes the dimension of the linear model and T denotes the total number of rounds. The first algorithm enjoys a "best-of-both-worlds" property, recovering two prior results that hold under distinct distributional assumptions, simultaneously. The second removes distributional assumptions altogether, expanding the scope for tractable model selection. Our approach extends to model selection among nested linear contextual bandits under some additional assumptions.

We study approximation of probability measures supported on n-dimensional manifolds embedded in R^m by injective flows—neural networks composed of invertible flows and injective layers. We show that in general, injective flows between R^n and R^m universally approximate measures supported on images of extendable embeddings, which are a subset of standard embeddings: when the embedding dimension m is small, topological obstructions may preclude certain manifolds as admissible targets. When the embedding dimension is sufficiently large, m >= 3n+1, we use an argument from algebraic topology known as the clean trick to prove that the topological obstructions vanish and injective flows universally approximate any differentiable embedding. Along the way we show that the studied injective flows admit efficient projections on the range, and that their optimality can be established "in reverse," resolving a conjecture made in Brehmer & Cranmer 2020.

A large number of neural network models of associative memory have been proposed in the literature. These include the classical Hopfield networks (HNs), sparse distributed memories (SDMs), and more recently the modern continuous Hopfield networks (MCHNs), which possess close links with self-attention in machine learning. In this paper, we propose a general framework for understanding the operation of such memory networks as a sequence of three operations: similarity, separation, and projection. We derive all these memory models as instances of our general framework with differing similarity and separation functions. We extend the mathematical framework of Krotov et al (2020) to express general associative memory models using neural network dynamics with local computation, and derive a general energy function that is a Lyapunov function of the dynamics. Finally, using our framework, we empirically investigate the capacity of using different similarity functions for these associative memory models, beyond the dot product similarity measure, and demonstrate empirically that Euclidean or Manhattan distance similarity metrics perform substantially better in practice on many tasks, enabling a more robust retrieval and higher memory capacity than existing models.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

We introduce a unified framework for group equivariant networks on homogeneous spaces derived from a Fourier perspective. We consider tensor-valued feature fields, before and after a convolutional layer. We present a unified derivation of kernels via the Fourier domain by leveraging the sparsity of Fourier coefficients of the lifted feature fields. The sparsity emerges when the stabilizer subgroup of the homogeneous space is a compact Lie group. We further introduce a nonlinear activation, via an elementwise nonlinearity on the regular representation after lifting and projecting back to the field through an equivariant convolution. We show that other methods treating features as the Fourier coefficients in the stabilizer subgroup are special cases of our activation. Experiments on $SO(3)$ and $SE(3)$ show state-of-the-art performance in spherical vector field regression, point cloud classification, and molecular completion.

We tackle, in the multiple-play bandit setting, the online ranking problem of assigning L items to K predefined positions on a web page in order to maximize the number of user clicks. We propose a generic algorithm, UniRank, that tackles state-of-the-art click models. The regret bound of this algorithm is a direct consequence of the pseudo-unimodality property of the bandit setting with respect to a graph where nodes are ordered sets of indistinguishable items. The main contribution of UniRank is its O(L/$\Delta$ logT) regret for T consecutive assignments, where $\Delta$ relates to the reward-gap between two items. This regret bound is based on the usually implicit condition that two items may not have the same attractiveness. Experiments against state-of-the-art learning algorithms specialized or not for different click models, show that our method has better regret performance than other generic algorithms on real life and synthetic datasets.

Most existing analyses of (stochastic) gradient descent rely on the condition that for $L$-smooth costs, the step size is less than $2/L$. However, many works have observed that in machine learning applications step sizes often do not fulfill this condition, yet (stochastic) gradient descent still converges, albeit in an unstable manner. We investigate this unstable convergence phenomenon from first principles, and discuss key causes behind it. We also identify its main characteristics, and how they interrelate based on both theory and experiments, offering a principled view toward understanding the phenomenon.

Embedding-based entity alignment (EEA) has recently received great attention. Despite significant performance improvement, few efforts have been paid to facilitate understanding of EEA methods. Most existing studies rest on the assumption that a small number of pre-aligned entities can serve as anchors connecting the embedding spaces of two KGs. Nevertheless, no one has investigated the rationality of such an assumption. To fill the research gap, we define a typical paradigm abstracted from existing EEA methods and analyze how the embedding discrepancy between two potentially aligned entities is implicitly bounded by a predefined margin in the score function. Further, we find that such a bound cannot guarantee to be tight enough for alignment learning. We mitigate this problem by proposing a new approach, named NeoEA, to explicitly learn KG-invariant and principled entity embeddings. In this sense, an EEA model not only pursues the closeness of aligned entities based on geometric distance, but also aligns the neural ontologies of two KGs by eliminating the discrepancy in embedding distribution and underlying ontology knowledge. Our experiments demonstrate consistent and significant performance improvement against the best-performing EEA methods.

Recent studies show that Vision Transformers (ViTs) exhibit strong robustness against various corruptions. Although this property is partly attributed to the self-attention mechanism, there is still a lack of an explanatory framework towards a more systematic understanding. In this paper, we examine the role of self-attention in learning robust representations. Our study is motivated by the intriguing properties of self-attention in visual grouping which indicate that self-attention could promote improved mid-level representation and robustness. We thus propose a family of fully attentional networks (FANs) that incorporate self-attention in both token mixing and channel processing. We validate the design comprehensively on various hierarchical backbones. Our model with a DeiT architecture achieves a state-of-the-art 47.6% mCE on ImageNet-C with 29M parameters. We also demonstrate significantly improved robustness in two downstream tasks: semantic segmentation and object detection

Robust overfitting widely exists in adversarial training of deep networks. The exact underlying reasons for this are still not completely understood. Here, we explore the causes of robust overfitting by comparing the data distribution of non-overfit (weak adversary) and overfitted (strong adversary) adversarial training, and observe that the distribution of the adversarial data generated by weak adversary mainly contain small-loss data. However, the adversarial data generated by strong adversary is more diversely distributed on the large-loss data and the small-loss data. Given these observations, we further designed data ablation adversarial training and identify that some small-loss data which are not worthy of the adversary strength cause robust overfitting in the strong adversary mode. To relieve this issue, we propose minimum loss constrained adversarial training (MLCAT): in a minibatch, we learn large-loss data as usual, and adopt additional measures to increase the loss of the small-loss data. Technically, MLCAT hinders data fitting when they become easy to learn to prevent robust overfitting; philosophically, MLCAT reflects the spirit of turning waste into treasure and making the best use of each adversarial data; algorithmically, we designed two realizations of MLCAT, and extensive experiments demonstrate that MLCAT can eliminate robust overfitting and further boost adversarial robustness.

A key feature of human intelligence is the ability to generalize beyond the training distribution, for instance, parsing longer sentences than seen in the past. Currently, deep neural networks struggle to generalize robustly to such shifts in the data distribution. We study robust generalization in the context of using recurrent neural networks (RNNs) to learn regular languages. We hypothesize that standard end-to-end modeling strategies cannot generalize well to systematic distribution shifts and propose a compositional strategy to address this. We compare an end-to-end strategy that maps strings to labels with a compositional strategy that predicts the structure of the deterministic finite state automaton (DFA) that accepts the regular language. We theoretically prove that the compositional strategy generalizes significantly better than the end-to-end strategy. In our experiments, we implement the compositional strategy via an auxiliary task where the goal is to predict the intermediate states visited by the DFA when parsing a string. Our empirical results support our hypothesis, showing that auxiliary tasks can enable robust generalization. Interestingly, the end-to-end RNN generalizes significantly better than the theoretical lower bound, suggesting that it is able to achieve atleast some degree of robust generalization.