ICML 2022 Papers

In pure-exploration problems, information is gathered sequentially to answer a question on the stochastic environment. While best-arm identification for linear bandits has been extensively studied in recent years, few works have been dedicated to identifying one arm that is $\varepsilon$-close to the best one (and not exactly the best one). In this problem with several correct answers, an identification algorithm should focus on one candidate among those answers and verify that it is correct. We demonstrate that picking the answer with highest mean does not allow an algorithm to reach asymptotic optimality in terms of expected sample complexity. Instead, a

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models’ generalization, as we observe empirically. To estimate the model’s dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model’s generalization on three datasets: Colored MNIST, ModelNet40, and NVIDIA Dynamic Hand Gesture.

Few-Shot Learning (FSL) requires vision models to quickly adapt to brand-new classification tasks with a shift in task distribution. Understanding the difficulties posed by this task distribution shift is central to FSL. In this paper, we show that a simple channel-wise feature transformation may be the key to unraveling this secret from a channel perspective. When facing novel few-shot tasks in the test-time datasets, this transformation can greatly improve the generalization ability of learned image representations, while being agnostic to the choice of datasets and training algorithms. Through an in-depth analysis of this transformation, we find that the difficulty of representation transfer in FSL stems from the severe channel bias problem of image representations: channels may have different importance in different tasks, while convolutional neural networks are likely to be insensitive, or respond incorrectly to such a shift. This points out a core problem of the generalization ability of modern vision systems which needs further attention in the future.

Certifying the robustness of model performance under bounded data distribution drifts has recently attracted intensive interest under the umbrella of distributional robustness. However, existing techniques either make strong assumptions on the model class and loss functions that can be certified, such as smoothness expressed via Lipschitz continuity of gradients, or require to solve complex optimization problems. As a result, the wider application of these techniques is currently limited by its scalability and flexibility — these techniques often do not scale to large-scale datasets with modern deep neural networks or cannot handle loss functions which may be non-smooth such as the 0-1 loss. In this paper, we focus on the problem of certifying distributional robustness for blackbox models and bounded loss functions, and propose a novel certification framework based on the Hellinger distance. Our certification technique scales to ImageNet-scale datasets, complex models, and a diverse set of loss functions. We then focus on one specific application enabled by such scalability and flexibility, i.e., certifying out-of-domain generalization for large neural networks and loss functions such as accuracy and AUC. We experimentally validate our certification method on a number of datasets, ranging from ImageNet, where we provide the first non-vacuous certified out-of-domain generalization, to smaller classification tasks where we are able to compare with the state-of-the-art and show that our method performs considerably better.

Deep learning models have achieved great success in many fields, yet they are vulnerable to adversarial examples. This paper follows a causal perspective to look into the adversarial vulnerability and proposes Causal Intervention by Semantic Smoothing (CISS), a novel framework towards robustness against natural language attacks. Instead of merely fitting observational data, CISS learns causal effects p(y|do(x)) by smoothing in the latent semantic space to make robust predictions, which scales to deep architectures and avoids tedious construction of noise customized for specific attacks. CISS is provably robust against word substitution attacks, as well as empirically robust even when perturbations are strengthened by unknown attack algorithms. For example, on YELP, CISS surpasses the runner-up by 6.8% in terms of certified robustness against word substitutions, and achieves 80.7% empirical robustness when syntactic attacks are integrated.

Watermarking is a commonly used strategy to protect creators’ rights to digital images, videos and audio. Recently, watermarking methods have been extended to deep learning models – in principle, the watermark should be preserved when an adversary tries to copy the model. However, in practice, watermarks can often be removed by an intelligent adversary. Several papers have proposed watermarking methods that claim to be empirically resistant to different types of removal attacks, but these new techniques often fail in the face of new or better-tuned adversaries. In this paper, we propose the first

Deep neural networks (DNNs) have revealed severe vulnerability to adversarial perturbations, beside empirical adversarial training for robustness, the design of provably robust classifiers attracts more and more attention. Randomized smoothing methods provide the certified robustness with agnostic architecture, which is further extended to a provable robustness framework using f-divergence. While these methods cannot be applied to smoothing measures with bounded support set such as uniform probability measure due to the use of likelihood ratio in their certification methods. In this paper, we generalize the $f$-divergence-based framework to a Wasserstein-distance-based and total-variation-distance-based framework that is first able to analyze robustness properties of bounded support set smoothing measures both theoretically and experimentally. By applying our methodology to uniform probability measures with support set $l_p (p=1,2,\infty\text{ and general})$ ball, we prove negative certified robustness properties with respect to $l_q (q=1, 2, \infty)$ perturbations and present experimental results on CIFAR-10 dataset with ResNet to validate our theory. And it is also worth mentioning that our certification procedure only costs constant computation time.

Recently, certifiable robust training methods via bound propagation have been proposed for training neural networks with certifiable robustness guarantees. However, no neural architectures with regular convolution and linear layers perform better in the certifiable training than the plain CNNs, since the output bounds for the deep explicit models increase quickly as their depth increases. And such a phenomenon significantly hinders certifiable training. Meanwhile, the Deep Equilibrium Model (DEQ) is more representative and robust due to their equivalent infinite depth and controllable global Lipschitz. But no work has been proposed to explore whether DEQ can show advantages in certified training. In this work, we aim to tackle the problem of DEQ’s certified training. To obtain the output bound based on the bound propagation scheme in the implicit model, we first involve the adjoint DEQ for bound approximation. Furthermore, we also use the weight orthogonalization method and other tricks specified for DEQ to stabilize the certifiable training. With our approach, we can obtain the certifiable DEQ called CerDEQ. Our CerDEQ can achieve state-of-the-art performance compared with models using regular convolution and linear layers on $\ell_\infty$ tasks with $\epsilon=8/255$: $64.72%$ certified error for CIFAR-$10$ and $94.45%$ certified error for Tiny ImageNet.

Bootstrap is a principled and powerful frequentist statistical tool for uncertainty quantification. Unfortunately, standard bootstrap methods are computationally intensive due to the need of drawing a large i.i.d. bootstrap sample to approximate the ideal bootstrap distribution; this largely hinders their application in large-scale machine learning, especially deep learning problems. In this work, we propose an efficient method to explicitly

Current techniques for explaining outliers cannot tell what caused the outliers. We present a formal method to identify "root causes" of outliers, amongst variables. The method requires a causal graph of the variables along with the functional causal model. It quantifies the contribution of each variable to the target outlier score, which explains to what extent each variable is a "root cause" of the target outlier. We study the empirical performance of the method through simulations and present a real-world case study identifying "root causes" of extreme river flows.

Estimating counterfactual outcomes over time from observational data is relevant for many applications (e.g., personalized medicine). Yet, state-of-the-art methods build upon simple long short-term memory (LSTM) networks, thus rendering inferences for complex, long-range dependencies challenging. In this paper, we develop a novel Causal Transformer for estimating counterfactual outcomes over time. Our model is specifically designed to capture complex, long-range dependencies among time-varying confounders. For this, we combine three transformer subnetworks with separate inputs for time-varying covariates, previous treatments, and previous outcomes into a joint network with in-between cross-attentions. We further develop a custom, end-to-end training procedure for our Causal Transformer. Specifically, we propose a novel counterfactual domain confusion loss to address confounding bias: it aims to learn adversarial balanced representations, so that they are predictive of the next outcome but non-predictive of the current treatment assignment. We evaluate our Causal Transformer based on synthetic and real-world datasets, where it achieves superior performance over current baselines. To the best of our knowledge, this is the first work proposing transformer-based architecture for estimating counterfactual outcomes from longitudinal data.

We introduce an approach to counterfactual inference based on merging information from multiple datasets. We consider a causal reformulation of the statistical marginal problem: given a collection of marginal structural causal models (SCMs) over distinct but overlapping sets of variables, determine the set of joint SCMs that are counterfactually consistent with the marginal ones. We formalise this approach for categorical SCMs using the response function formulation and show that it reduces the space of allowed marginal and joint SCMs. Our work thus highlights a new mode of falsifiability through additional variables, in contrast to the statistical one via additional data.

In this paper, we study gap-dependent regret guarantees for risk-sensitive reinforcement learning based on the entropic risk measure. We propose a novel definition of sub-optimality gaps, which we call cascaded gaps, and we discuss their key components that adapt to underlying structures of the problem. Based on the cascaded gaps, we derive non-asymptotic and logarithmic regret bounds for two model-free algorithms under episodic Markov decision processes. We show that, in appropriate settings, these bounds feature exponential improvement over existing ones that are independent of gaps. We also prove gap-dependent lower bounds, which certify the near optimality of the upper bounds.

Accurate probabilistic predictions can be characterized by two properties{—}calibration and sharpness. However, standard maximum likelihood training yields models that are poorly calibrated and thus inaccurate{—}a 90% confidence interval typically does not contain the true outcome 90% of the time. This paper argues that calibration is important in practice and is easy to maintain by performing low-dimensional density estimation. We introduce a simple training procedure based on recalibration that yields calibrated models without sacrificing overall performance; unlike previous approaches, ours ensures the most general property of distribution calibration and applies to any model, including neural networks. We formally prove the correctness of our procedure assuming that we can estimate densities in low dimensions and we establish uniform convergence bounds. Our results yield empirical performance improvements on linear and deep Bayesian models and suggest that calibration should be increasingly leveraged across machine learning.

The learning to defer (L2D) framework has the potential to make AI systems safer. For a given input, the system can defer the decision to a human if the human is more likely than the model to take the correct action. We study the calibration of L2D systems, investigating if the probabilities they output are sound. We find that Mozannar & Sontag’s (2020) multiclass framework is not calibrated with respect to expert correctness. Moreover, it is not even guaranteed to produce valid probabilities due to its parameterization being degenerate for this purpose. We propose an L2D system based on one-vs-all classifiers that is able to produce calibrated probabilities of expert correctness. Furthermore, our loss function is also a consistent surrogate for multiclass L2D, like Mozannar & Sontag’s (2020). Our experiments verify that not only is our system calibrated, but this benefit comes at no cost to accuracy. Our model’s accuracy is always comparable (and often superior) to Mozannar & Sontag’s (2020) model’s in tasks ranging from hate speech detection to galaxy classification to diagnosis of skin lesions.

Learning in general-sum games is unstable and frequently leads to socially undesirable (Pareto-dominated) outcomes. To mitigate this, Learning with Opponent-Learning Awareness (LOLA) introduced opponent shaping to this setting, by accounting for each agent’s influence on their opponents’ anticipated learning steps. However, the original LOLA formulation (and follow-up work) is inconsistent because LOLA models other agents as naive learners rather than LOLA agents. In previous work, this inconsistency was suggested as a cause of LOLA’s failure to preserve stable fixed points (SFPs). First, we formalize consistency and show that higher-order LOLA (HOLA) solves LOLA’s inconsistency problem if it converges. Second, we correct a claim made in the literature by Sch{ä}fer and Anandkumar (2019), proving that Competitive Gradient Descent (CGD) does not recover HOLA as a series expansion (and fails to solve the consistency problem). Third, we propose a new method called Consistent LOLA (COLA), which learns update functions that are consistent under mutual opponent shaping. It requires no more than second-order derivatives and learns consistent update functions even when HOLA fails to converge. However, we also prove that even consistent update functions do not preserve SFPs, contradicting the hypothesis that this shortcoming is caused by LOLA’s inconsistency. Finally, in an empirical evaluation on a set of general-sum games, we find that COLA finds prosocial solutions and that it converges under a wider range of learning rates than HOLA and LOLA. We support the latter finding with a theoretical result for a simple game.

Learning representations that can decompose a multi-object scene into its constituent objects and recompose them flexibly is desirable for object-oriented reasoning and planning. Built upon object masks in the pixel space, existing metrics for objectness can only evaluate generative models with an object-specific “slot” structure. We propose to directly measure compositionality in the representation space as a form of objections, making such evaluations tractable for a wider class of models. Our metric, COAT (Compositional Object Algebra Test), evaluates if a generic representation exhibits certain geometric properties that underpin object compositionality beyond what is already captured by the raw pixel space. Our experiments on the popular CLEVR (Johnson et.al., 2018) domain reveal that existing disentanglement-based generative models are not as compositional as one might expect, suggesting room for further modeling improvements. We hope our work allows for a unified evaluation of object-centric representations, spanning generative as well as discriminative, self-supervised models.

Understanding the latent causal factors of a dynamical system from visual observations is considered a crucial step towards agents reasoning in complex environments. In this paper, we propose CITRIS, a variational autoencoder framework that learns causal representations from temporal sequences of images in which underlying causal factors have possibly been intervened upon. In contrast to the recent literature, CITRIS exploits temporality and observing intervention targets to identify scalar and multidimensional causal factors, such as 3D rotation angles. Furthermore, by introducing a normalizing flow, CITRIS can be easily extended to leverage and disentangle representations obtained by already pretrained autoencoders. Extending previous results on scalar causal factors, we prove identifiability in a more general setting, in which only some components of a causal factor are affected by interventions. In experiments on 3D rendered image sequences, CITRIS outperforms previous methods on recovering the underlying causal variables. Moreover, using pretrained autoencoders, CITRIS can even generalize to unseen instantiations of causal factors, opening future research areas in sim-to-real generalization for causal representation learning.

Minwise hashing (MinHash) is an important and practical algorithm for generating random hashes to approximate the Jaccard (resemblance) similarity in massive binary (0/1) data. The basic theory of MinHash requires applying hundreds or even thousands of independent random permutations to each data vector in the dataset, in order to obtain reliable results for (e.g.,) building large-scale learning models or approximate near neighbor search. In this paper, we propose Circulant MinHash (C-MinHash) and provide the surprising theoretical results that using only two independent random permutations in a circulant manner leads to uniformly smaller Jaccard estimation variance than that of the classical MinHash with K independent permutations. Experiments are conducted to show the effectiveness of the proposed method. We also propose a more convenient C-MinHash variant which reduces two permutations to just one, with extensive numerical results to validate that it achieves essentially the same estimation accuracy as using two permutations.