ICML 2023 论文列表

Wider adoption of neural networks in many critical domains such as finance and healthcare is being hindered by the need to explain their predictions and to impose additional constraints on them. Monotonicity constraint is one of the most requested properties in real-world scenarios and is the focus of this paper. One of the oldest ways to construct a monotonic fully connected neural network is to constrain signs on its weights. Unfortunately, this construction does not work with popular non-saturated activation functions as it can only approximate convex functions. We show this shortcoming can be fixed by constructing two additional activation functions from a typical unsaturated monotonic activation function and employing each of them on the part of neurons. Our experiments show this approach of building monotonic neural networks has better accuracy when compared to other state-of-the-art methods, while being the simplest one in the sense of having the least number of parameters, and not requiring any modifications to the learning procedure or post-learning steps. Finally, we prove it can approximate any continuous monotone function on a compact subset of $\mathbb{R}^n$.

Given a sequence of observable variables $\{(x_1, y_1), \ldots, (x_n, y_n)\}$, the conformal prediction method estimates a confidence set for $y_{n+1}$ given $x_{n+1}$ that is valid for any finite sample size by merely assuming that the joint distribution of the data is permutation invariant. Although attractive, computing such a set is computationally infeasible in most regression problems. Indeed, in these cases, the unknown variable $y_{n+1}$ can take an infinite number of possible candidate values, and generating conformal sets requires retraining a predictive model for each candidate. In this paper, we focus on a sparse linear model with only a subset of variables for prediction and use numerical continuation techniques to approximate the solution path efficiently. The critical property we exploit is that the set of selected variables is invariant under a small perturbation of the input data. Therefore, it is sufficient to enumerate and refit the model only at the change points of the set of active features and smoothly interpolate the rest of the solution via a Predictor-Corrector mechanism. We show how our path-following algorithm accurately approximates conformal prediction sets and illustrate its performance using synthetic and real data examples.

Domain randomization (DR) is widely used in reinforcement learning (RL) to bridge the gap between simulation and reality by maximizing its average returns under the perturbation of environmental parameters. However, even the most complex simulators cannot capture all details in reality due to finite domain parameters and simplified physical models. Additionally, the existing methods often assume that the distribution of domain parameters belongs to a specific family of probability functions, such as normal distributions, which may not be correct. To overcome these limitations, we propose a new approach to DR by rethinking it from the perspective of adversarial state perturbation, without the need for reconfiguring the simulator or relying on prior knowledge about the environment. We also address the issue of over-conservatism that can occur when perturbing agents to the worst states during training by introducing a Relaxed State-Adversarial Algorithm that simultaneously maximizes the average-case and worst-case returns. We evaluate our method by comparing it to state-of-the-art methods, providing experimental results and theoretical proofs to verify its effectiveness. Our source code and appendix are available at https://github.com/sophialien/RAPPO.

Estimating heterogeneous treatment effects (HTE) is crucial for identifying the variation of treatment effects across individuals or subgroups. Most existing methods estimate HTE by removing the confounding bias from imbalanced treatment assignments. However, these methods may produce unreliable estimates of treatment effects and potentially allocate suboptimal treatment arms for underrepresented populations. To improve the estimation accuracy of HTE for underrepresented populations, we propose a novel Stable CounterFactual Regression (StableCFR) to smooth the population distribution and upsample the underrepresented subpopulations, while balancing confounders between treatment and control groups. Specifically, StableCFR upsamples the underrepresented data using uniform sampling, where each disjoint subpopulation is weighted proportional to the Lebesgue measure of its support. Moreover, StableCFR balances covariates by using an epsilon-greedy matching approach. Empirical results on both synthetic and real-world datasets demonstrate the superior performance of our StableCFR on estimating HTE for underrepresented populations.

Aiming at promoting the safe real-world deployment of Reinforcement Learning (RL), research on safe RL has made significant progress in recent years. However, most existing works in the literature still focus on the online setting where risky violations of the safety budget are likely to be incurred during training. Besides, in many realworld applications, the learned policy is required to respond to dynamically determined safety budgets (i.e., constraint threshold) in real time. In this paper, we target at the above real-time budget constraint problem under the offline setting, and propose Trajectory-based REal-time Budget Inference (TREBI) as a novel solution that approaches this problem from the perspective of trajectory distribution. Theoretically, we prove an error bound of the estimation on the episodic reward and cost under the offline setting and thus provide a performance guarantee for TREBI. Empirical results on a wide range of simulation tasks and a real-world large-scale advertising application demonstrate the capability of TREBI in solving real-time budget constraint problems under offline settings.

We study robustness to test-time adversarial attacks in the regression setting with $\ell_p$ losses and arbitrary perturbation sets. We address the question of which function classes are PAC learnable in this setting. We show that classes of finite fat-shattering dimension are learnable in both the realizable and agnostic settings. Moreover, for convex function classes, they are even properly learnable. In contrast, some non-convex function classes provably require improper learning algorithms. Our main technique is based on a construction of an adversarially robust sample compression scheme of a size determined by the fat-shattering dimension. Along the way, we introduce a novel agnostic sample compression scheme for real-valued functions, which may be of independent interest.

Variational auto-encoders are powerful probabilistic models in generative tasks but suffer from generating low-quality samples which are caused by the holes in the prior. We propose the Coupled Variational Auto-Encoder (C-VAE), which formulates the VAE problem as one of Optimal Transport (OT) between the prior and data distributions. The C-VAE allows greater flexibility in priors and natural resolution of the prior hole problem by enforcing coupling between the prior and the data distribution and enables flexible optimization through the primal, dual, and semi-dual formulations of entropic OT. Simulations on synthetic and real data show that the C-VAE outperforms alternatives including VAE, WAE, and InfoVAE in fidelity to the data, quality of the latent representation, and in quality of generated samples.

Super-resolution (SR) techniques designed for real-world applications commonly encounter two primary challenges: generalization performance and restoration accuracy. We demonstrate that when methods are trained using complex, large-range degradations to enhance generalization, a decline in accuracy is inevitable. However, since the degradation in a certain real-world applications typically exhibits a limited variation range, it becomes feasible to strike a trade-off between generalization performance and testing accuracy within this scope. In this work, we introduce a novel approach to craft training degradation distributions using a small set of reference images. Our strategy is founded upon the binned representation of the degradation space and the Frechet distance between degradation distributions. Our results indicate that the proposed technique significantly improves the performance of test images while preserving generalization capabilities in real-world applications.

Despite the great interest in the bandit problem, designing efficient algorithms for complex models remains challenging, as there is typically no analytical way to quantify uncertainty. In this paper, we propose Multiplier Bootstrap-based Exploration (MBE), a novel exploration strategy that is applicable to any reward model amenable to weighted loss minimization. We prove both instance-dependent and instance-independent rate-optimal regret bounds for MBE in sub-Gaussian multi-armed bandits. With extensive simulation and real-data experiments, we show the generality and adaptivity of MBE.

Recent deep-learning-based super-resolution (SR) methods have been successful in recovering high-resolution (HR) images from their low-resolution (LR) counterparts, albeit on the synthetic and simple degradation setting: bicubic downscaling. On the other hand, super-resolution on real-world images demands the capability to handle complex downscaling mechanism which produces different artifacts (e.g., noise, blur, color distortion) upon downscaling factors. To account for complex downscaling mechanism in real-world LR images, there have been a few efforts in constructing datasets consisting of LR images with real-world downsampling degradation. However, making such datasets entails a tremendous amount of time and effort, thereby resorting to very few number of downscaling factors (e.g., $\times$2, $\times$3, $\times$4). To remedy the issue, we propose to generate realistic SR datasets for unseen degradation levels by exploring the latent space of real LR images and thereby producing more diverse yet realistic LR images with complex real-world artifacts. Our quantitative and qualitative experiments demonstrate the accuracy of the generated LR images, and we show that the various conventional SR networks trained with our newly generated SR datasets can produce much better HR images.

Image super-resolution (SR) with generative adversarial networks (GAN) has achieved great success in restoring realistic details. However, it is notorious that GAN-based SR models will inevitably produce unpleasant and undesirable artifacts, especially in practical scenarios. Previous works typically suppress artifacts with an extra loss penalty in the training phase. They only work for in-distribution artifact types generated during training. When applied in real-world scenarios, we observe that those improved methods still generate obviously annoying artifacts during inference. In this paper, we analyze the cause and characteristics of the GAN artifacts produced in unseen test data without ground-truths. We then develop a novel method, namely, DeSRA, to Detect and then ``Delete'' those SR Artifacts in practice. Specifically, we propose to measure a relative local variance distance from MSE-SR results and GAN-SR results, and locate the problematic areas based on the above distance and semantic-aware thresholds. After detecting the artifact regions, we develop a finetune procedure to improve GAN-based SR models with a few samples, so that they can deal with similar types of artifacts in more unseen real data. Equipped with our DeSRA, we can successfully eliminate artifacts from inference and improve the ability of SR models to be applied in real-world scenarios. The code will be available at https://github.com/TencentARC/DeSRA.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler-Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve graph isomorphism distinguishing power of message passing neural networks. The method is then extended to higher-dimensional WL, leading to a novel $k,l$-WL algorithm, a more general framework than $k$-WL. We further introduce the subgraph concept into our hierarchy and propose a localized $k,l$-WL framework, incorporating a wide range of existing work, including many subgraph GNNs. Theoretically, we analyze the expressivity of $k,l$-WL w.r.t. $k$ and $l$ and compare it with the traditional $k$-WL. Complexity reduction methods are also systematically discussed to build powerful and practical $k,l$-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our $k,l$-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

There are strong incentives to build classification systems that show outstanding performance on various datasets and benchmarks. This can encourage a narrow focus on models and the performance metrics used to evaluate and compare them—resulting in a growing body of literature to evaluate and compare _metrics_. This paper strives for a more balanced perspective on binary classifier performance metrics by showing how uncertainty in these metrics can easily eclipse differences in empirical performance. We emphasise the discrete nature of confusion matrices and show how they can be well represented in a 3D lattice whose cross-sections form the space of receiver operating characteristic (ROC) curves. We develop novel interactive visualisations of performance metric contours within (and beyond) ROC space, showing the discrete probability mass functions of true and false positive rates and how these relate to performance metric distributions. We aim to raise awareness of the substantial uncertainty in performance metric estimates that can arise when classifiers are evaluated on empirical datasets and benchmarks, and that performance claims should be tempered by this understanding.

An abundance of recent impossibility results establish that regret minimization in Markov games with adversarial opponents is both statistically and computationally intractable. Nevertheless, none of these results preclude the possibility of regret minimization under the assumption that all parties adopt the same learning procedure. In this work, we present the first (to our knowledge) algorithm for learning in general-sum Markov games that provides sublinear regret guarantees when executed by all agents. The bounds we obtain are for $\textit{swap regret}$, and thus, along the way, imply convergence to a $\textit{correlated}$ equilibrium. Our algorithm is decentralized, computationally efficient, and does not require any communication between agents. Our key observation is that online learning via policy optimization in Markov games essentially reduces to a form of $\textit{weighted}$ regret minimization, with $\textit{unknown}$ weights determined by the path length of the agents' policy sequence. Consequently, controlling the path length leads to weighted regret objectives for which sufficiently adaptive algorithms provide sublinear regret guarantees.

Generating synthetic data through generative models is gaining interest in the ML community and beyond, promising a future where datasets can be tailored to individual needs. Unfortunately, synthetic data is usually not perfect, resulting in potential errors in downstream tasks. In this work we explore how the generative process affects the downstream ML task. We show that the naive synthetic data approach---using synthetic data as if it is real---leads to downstream models and analyses that do not generalize well to real data. As a first step towards better ML in the synthetic data regime, we introduce Deep Generative Ensemble (DGE)---a framework inspired by Deep Ensembles that aims to implicitly approximate the posterior distribution over the generative process model parameters. DGE improves downstream model training, evaluation, and uncertainty quantification, vastly outperforming the naive approach on average. The largest improvements are achieved for minority classes and low-density regions of the original data, for which the generative uncertainty is largest.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

We develop techniques for synthesizing neurosymbolic programs. Such programs mix discrete symbolic processing with continuous neural computation. We relax this mixed discrete/continuous problem and jointly learn all modules with gradient descent, and also incorporate amortized inference, overparameterization, and a differentiable strategy for penalizing lengthy programs. Collectedly this toolbox improves the stability of gradient-guided program search, and suggests ways of learning both how to parse continuous input into discrete abstractions, and how to process those abstractions via symbolic code.

Given only a few observed entries from a low-rank matrix $X$, matrix completion is the problem of imputing the missing entries, and it formalizes a wide range of real-world settings that involve estimating missing data. However, when there are too few observed entries to complete the matrix, what other aspects of the underlying matrix can be reliably recovered? We study one such problem setting, that of ``one-sided'' matrix completion, where our goal is to recover the right singular vectors of $X$, even in the regime where recovering the left singular vectors is impossible, which arises when there are more rows than columns and very few observations. We propose a natural algorithm that involves imputing the missing values of the matrix $X^TX$ and show that even with only two observations per row in $X$, we can provably recover $X^TX$ as long as we have at least $\Omega(r^2 d \log d)$ rows, where $r$ is the rank and $d$ is the number of columns. We evaluate our algorithm on one-sided recovery of synthetic data and low-coverage genome sequencing. In these settings, our algorithm substantially outperforms standard matrix completion and a variety of direct factorization methods.