ICML 2022 论文列表

Self-supervised Contrastive Learning (CL) has been recently shown to be very effective in preventing deep networks from overfitting noisy labels. Despite its empirical success, the theoretical understanding of the effect of contrastive learning on boosting robustness is very limited. In this work, we rigorously prove that the representation matrix learned by contrastive learning boosts robustness, by having: (i) one prominent singular value corresponding to each sub-class in the data, and significantly smaller remaining singular values; and (ii) a large alignment between the prominent singular vectors and the clean labels of each sub-class. The above properties enable a linear layer trained on such representations to effectively learn the clean labels without overfitting the noise. We further show that the low-rank structure of the Jacobian of deep networks pre-trained with contrastive learning allows them to achieve a superior performance initially, when fine-tuned on noisy labels. Finally, we demonstrate that the initial robustness provided by contrastive learning enables robust training methods to achieve state-of-the-art performance under extreme noise levels, e.g., an average of 27.18% and 15.58% increase in accuracy on CIFAR-10 and CIFAR-100 with 80% symmetric noisy labels, and 4.11% increase in accuracy on WebVision.

Weight norm $\|w\|$ and margin $\gamma$ participate in learning theory via the normalized margin $\gamma/\|w\|$. Since standard neural net optimizers do not control normalized margin, it is hard to test whether this quantity causally relates to generalization. This paper designs a series of experimental studies that explicitly control normalized margin and thereby tackle two central questions. First: does normalized margin always have a causal effect on generalization? The paper finds that no—networks can be produced where normalized margin has seemingly no relationship with generalization, counter to the theory of Bartlett et al. (2017). Second: does normalized margin ever have a causal effect on generalization? The paper finds that yes—in a standard training setup, test performance closely tracks normalized margin. The paper suggests a Gaussian process model as a promising explanation for this behavior.

Understanding a decision-maker’s priorities by observing their behavior is critical for transparency and accountability in decision processes{—}such as in healthcare. Though conventional approaches to policy learning almost invariably assume stationarity in behavior, this is hardly true in practice: Medical practice is constantly evolving as clinical professionals fine-tune their knowledge over time. For instance, as the medical community’s understanding of organ transplantations has progressed over the years, a pertinent question is: How have actual organ allocation policies been evolving? To give an answer, we desire a policy learning method that provides interpretable representations of decision-making, in particular capturing an agent’s non-stationary knowledge of the world, as well as operating in an offline manner. First, we model the evolving behavior of decision-makers in terms of contextual bandits, and formalize the problem of Inverse Contextual Bandits ("ICB"). Second, we propose two concrete algorithms as solutions, learning parametric and non-parametric representations of an agent’s behavior. Finally, using both real and simulated data for liver transplantations, we illustrate the applicability and explainability of our method, as well as benchmarking and validating the accuracy of our algorithms.

Recently, methods have been proposed that exploit the invariance of prediction models with respect to changing environments to infer subsets of the causal parents of a response variable. If the environments influence only few of the underlying mechanisms, the subset identified by invariant causal prediction (ICP), for example, may be small, or even empty. We introduce the concept of minimal invariance and propose invariant ancestry search (IAS). In its population version, IAS outputs a set which contains only ancestors of the response and is a superset of the output of ICP. When applied to data, corresponding guarantees hold asymptotically if the underlying test for invariance has asymptotic level and power. We develop scalable algorithms and perform experiments on simulated and real data.

Randomized smoothing is currently considered the state-of-the-art method to obtain certifiably robust classifiers. Despite its remarkable performance, the method is associated with various serious problems such as “certified accuracy waterfalls”, certification vs. accuracy trade-off, or even fairness issues. Input-dependent smoothing approaches have been proposed with intention of overcoming these flaws. However, we demonstrate that these methods lack formal guarantees and so the resulting certificates are not justified. We show that in general, the input-dependent smoothing suffers from the curse of dimensionality, forcing the variance function to have low semi-elasticity. On the other hand, we provide a theoretical and practical framework that enables the usage of input-dependent smoothing even in the presence of the curse of dimensionality, under strict restrictions. We present one concrete design of the smoothing variance function and test it on CIFAR10 and MNIST. Our design mitigates some of the problems of classical smoothing and is formally underlined, yet further improvement of the design is still necessary.

Contrastive learning (CL)-based self-supervised learning models learn visual representations in a pairwise manner. Although the prevailing CL model has achieved great progress, in this paper, we uncover an ever-overlooked phenomenon: When the CL model is trained with full images, the performance tested in full images is better than that in foreground areas; when the CL model is trained with foreground areas, the performance tested in full images is worse than that in foreground areas. This observation reveals that backgrounds in images may interfere with the model learning semantic information and their influence has not been fully eliminated. To tackle this issue, we build a Structural Causal Model (SCM) to model the background as a confounder. We propose a backdoor adjustment-based regularization method, namely

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models (graph neural networks in particular). They argue against inherently interpretable models because the good interpretability of these models is often at the cost of their prediction accuracy. However, those post-hoc methods often fail to provide stable interpretation and may extract features that are spuriously correlated with the task. In this work, we address these issues by proposing Graph Stochastic Attention (GSAT). Derived from the information bottleneck principle, GSAT injects stochasticity to the attention weights to block the information from task-irrelevant graph components while learning stochasticity-reduced attention to select task-relevant subgraphs for interpretation. The selected subgraphs provably do not contain patterns that are spuriously correlated with the task under some assumptions. Extensive experiments on eight datasets show that GSAT outperforms the state-of-the-art methods by up to 20% in interpretation AUC and 5% in prediction accuracy. Our code is available at https://github.com/Graph-COM/GSAT.

Personalized treatment decisions have become an integral part of modern medicine. Thereby, the aim is to make treatment decisions based on individual patient characteristics. Numerous methods have been developed for learning such policies from observational data that achieve the best outcome across a certain policy class. Yet these methods are rarely interpretable. However, interpretability is often a prerequisite for policy learning in clinical practice. In this paper, we propose an algorithm for interpretable off-policy learning via hyperbox search. In particular, our policies can be represented in disjunctive normal form (i.e., OR-of-ANDs) and are thus intelligible. We prove a universal approximation theorem that shows that our policy class is flexible enough to approximate any measurable function arbitrarily well. For optimization, we develop a tailored column generation procedure within a branch-and-bound framework. Using a simulation study, we demonstrate that our algorithm outperforms state-of-the-art methods from interpretable off-policy learning in terms of regret. Using real-word clinical data, we perform a user study with actual clinical experts, who rate our policies as highly interpretable.

We study the effects of constrained optimization formulations and Frank-Wolfe algorithms for obtaining interpretable neural network predictions. Reformulating the Rate-Distortion Explanations (RDE) method for relevance attribution as a constrained optimization problem provides precise control over the sparsity of relevance maps. This enables a novel multi-rate as well as a relevance-ordering variant of RDE that both empirically outperform standard RDE and other baseline methods in a well-established comparison test. We showcase several deterministic and stochastic variants of the Frank-Wolfe algorithm and their effectiveness for RDE.

We study sequential decision-making with known rewards and unknown constraints, motivated by situations where the constraints represent expensive-to-evaluate human preferences, such as safe and comfortable driving behavior. We formalize the challenge of interactively learning about these constraints as a novel linear bandit problem which we call constrained linear best-arm identification. To solve this problem, we propose the Adaptive Constraint Learning (ACOL) algorithm. We provide an instance-dependent lower bound for constrained linear best-arm identification and show that ACOL’s sample complexity matches the lower bound in the worst-case. In the average case, ACOL’s sample complexity bound is still significantly tighter than bounds of simpler approaches. In synthetic experiments, ACOL performs on par with an oracle solution and outperforms a range of baselines. As an application, we consider learning constraints to represent human preferences in a driving simulation. ACOL is significantly more sample efficient than alternatives for this application. Further, we find that learning preferences as constraints is more robust to changes in the driving scenario than encoding the preferences directly in the reward function.

We study the problem of designing autonomous agents that can learn to cooperate effectively with a potentially suboptimal partner while having no access to the joint reward function. This problem is modeled as a cooperative episodic two-agent Markov decision process. We assume control over only the first of the two agents in a Stackelberg formulation of the game, where the second agent is acting so as to maximise expected utility given the first agent’s policy. How should the first agent act in order to learn the joint reward function as quickly as possible and so that the joint policy is as close to optimal as possible? We analyse how knowledge about the reward function can be gained in this interactive two-agent scenario. We show that when the learning agent’s policies have a significant effect on the transition function, the reward function can be learned efficiently.

We consider the problem of clustering with user feedback. Existing methods express constraints about the input data points, most commonly through must-link and cannot-link constraints on data point pairs. In this paper, we introduce existential cluster constraints: a new form of feedback where users indicate the features of desired clusters. Specifically, users make statements about the existence of a cluster having (and not having) particular features. Our approach has multiple advantages: (1) constraints on clusters can express user intent more efficiently than point pairs; (2) in cases where the users’ mental model is of the desired clusters, it is more natural for users to express cluster-wise preferences; (3) it functions even when privacy restrictions prohibit users from seeing raw data. In addition to introducing existential cluster constraints, we provide an inference algorithm for incorporating our constraints into the output clustering. Finally, we demonstrate empirically that our proposed framework facilitates more accurate clustering with dramatically fewer user feedback inputs.

This paper considers the challenge of estimating treatment effects from observational data in the presence of unmeasured confounders. A popular way to address this challenge is to utilize an instrumental variable (IV) for two-stage regression, i.e., 2SLS and variants, but limited to the linear setting. Recently, many nonlinear IV regression variants were proposed to overcome it by regressing the treatment with IVs and observed confounders in stage 1, leading to the imbalance of the observed confounders in stage 2. In this paper, we propose a Confounder Balanced IV Regression (CB-IV) algorithm to jointly remove the bias from the unmeasured confounders and balance the observed confounders. To the best of our knowledge, this is the first work to combine confounder balancing in IV regression for treatment effect estimation. Theoretically, we re-define and solve the inverse problems for the response-outcome function. Experiments show that our algorithm outperforms the existing approaches.

We study the problem of designing an adaptive strategy for querying a noisy zeroth-order-oracle to efficiently learn about the optimizer of an unknown function $f$. To make the problem tractable, we assume that $f$ lies in the reproducing kernel Hilbert space (RKHS) associated with a known kernel $K$, with its norm bounded by $M<\infty$. Prior results, working in a

Only recently, researchers attempt to provide classification algorithms with provable group fairness guarantees. Most of these algorithms suffer from harassment caused by the requirement that the training and deployment data follow the same distribution. This paper proposes an input-agnostic certified group fairness algorithm, FairSmooth, for improving the fairness of classification models while maintaining the remarkable prediction accuracy. A Gaussian parameter smoothing method is developed to transform base classifiers into their smooth versions. An optimal individual smooth classifier is learnt for each group with only the data regarding the group and an overall smooth classifier for all groups is generated by averaging the parameters of all the individual smooth ones. By leveraging the theory of nonlinear functional analysis, the smooth classifiers are reformulated as output functions of a Nemytskii operator. Theoretical analysis is conducted to derive that the Nemytskii operator is smooth and induces a Frechet differentiable smooth manifold. We theoretically demonstrate that the smooth manifold has a global Lipschitz constant that is independent of the domain of the input data, which derives the input-agnostic certified group fairness.

Gaussian Processes (GPs) are non-parametric models that provide accurate uncertainty estimates. Nevertheless, they have a cubic cost in the number of data instances $N$. To overcome this, sparse GP approximations are used, in which a set of $M \ll N$ inducing points is introduced. The location of the inducing points is learned by considering them parameters of an approximate posterior distribution $q$. Sparse GPs, combined with stochastic variational inference for inferring $q$ have a cost per iteration in $\mathcal{O}(M^3)$. Critically, the inducing points determine the flexibility of the model and they are often located in regions where the latent function changes. A limitation is, however, that in some tasks a large number of inducing points may be required to obtain good results. To alleviate this, we propose here to amortize the computation of the inducing points locations, as well as the parameters of $q$. For this, we use a neural network that receives a data instance as an input and outputs the corresponding inducing points locations and the parameters of $q$. We evaluate our method in several experiments, showing that it performs similar or better than other state-of-the-art sparse variational GPs. However, in our method the number of inducing points is reduced drastically since they depend on the input data. This makes our method scale to larger datasets and have faster training and prediction times.

Injecting discrete logical constraints into neural network learning is one of the main challenges in neuro-symbolic AI. We find that a straight-through-estimator, a method introduced to train binary neural networks, could effectively be applied to incorporate logical constraints into neural network learning. More specifically, we design a systematic way to represent discrete logical constraints as a loss function; minimizing this loss using gradient descent via a straight-through-estimator updates the neural network’s weights in the direction that the binarized outputs satisfy the logical constraints. The experimental results show that by leveraging GPUs and batch training, this method scales significantly better than existing neuro-symbolic methods that require heavy symbolic computation for computing gradients. Also, we demonstrate that our method applies to different types of neural networks, such as MLP, CNN, and GNN, making them learn with no or fewer labeled data by learning directly from known constraints.

By integrating domain knowledge with labeled samples, informed machine learning has been emerging to improve the learning performance for a wide range of applications. Nonetheless, rigorous understanding of the role of injected domain knowledge has been under-explored. In this paper, we consider an informed deep neural network (DNN) with over-parameterization and domain knowledge integrated into its training objective function, and study how and why domain knowledge benefits the performance. Concretely, we quantitatively demonstrate the two benefits of domain knowledge in informed learning {—} regularizing the label-based supervision and supplementing the labeled samples {—} and reveal the trade-off between label and knowledge imperfectness in the bound of the population risk. Based on the theoretical analysis, we propose a generalized informed training objective to better exploit the benefits of knowledge and balance the label and knowledge imperfectness, which is validated by the population risk bound. Our analysis on sampling complexity sheds lights on how to choose the hyper-parameters for informed learning, and further justifies the advantages of knowledge informed learning.

We initiate the study of the effects of non-transparency in decision rules on individuals’ ability to improve in strategic learning settings. Inspired by real-life settings, such as loan approvals and college admissions, we remove the assumption typically made in the strategic learning literature, that the decision rule is fully known to individuals, and focus instead on settings where it is inaccessible. In their lack of knowledge, individuals try to infer this rule by learning from their peers (e.g., friends and acquaintances who previously applied for a loan), naturally forming groups in the population, each with possibly different type and level of information regarding the decision rule. We show that, in equilibrium, the principal’s decision rule optimizing welfare across sub-populations may cause a strong negative externality: the true quality of some of the groups can actually deteriorate. On the positive side, we show that, in many natural cases, optimal improvement can be guaranteed simultaneously for all sub-populations. We further introduce a measure we term information overlap proxy, and demonstrate its usefulness in characterizing the disparity in improvements across sub-populations. Finally, we identify a natural condition under which improvement can be guaranteed for all sub-populations while maintaining high predictive accuracy. We complement our theoretical analysis with experiments on real-world datasets.