ICML 2023 论文列表

Recently, test-time adaptation (TTA) has been proposed as a promising solution for addressing distribution shifts. It allows a base model to adapt to an unforeseen distribution during inference by leveraging the information from the batch of (unlabeled) test data. However, we uncover a novel security vulnerability of TTA based on the insight that predictions on benign samples can be impacted by malicious samples in the same batch. To exploit this vulnerability, we propose Distribution Invading Attack (DIA), which injects a small fraction of malicious data into the test batch. DIA causes models using TTA to misclassify benign and unperturbed test data, providing an entirely new capability for adversaries that is infeasible in canonical machine learning pipelines. Through comprehensive evaluations, we demonstrate the high effectiveness of our attack on multiple benchmarks across six TTA methods. In response, we investigate two countermeasures to robustify the existing insecure TTA implementations, following the principle of security by design. Together, we hope our findings can make the community aware of the utility-security tradeoffs in deploying TTA and provide valuable insights for developing robust TTA approaches.

Polar codes are widely used state-of-the-art codes for reliable communication that have recently been included in the $5^{\text{th}}$ generation wireless standards ($5$G). However, there still remains room for design of polar decoders that are both efficient and reliable in the short blocklength regime. Motivated by recent successes of data-driven channel decoders, we introduce a novel $\textbf{ C}$ur${\textbf{RI}}$culum based $\textbf{S}$equential neural decoder for $\textbf{P}$olar codes (CRISP). We design a principled curriculum, guided by information-theoretic insights, to train CRISP and show that it outperforms the successive-cancellation (SC) decoder and attains near-optimal reliability performance on the $\text{Polar}(32,16)$ and $\text{Polar}(64,22)$ codes. The choice of the proposed curriculum is critical in achieving the accuracy gains of CRISP, as we show by comparing against other curricula. More notably, CRISP can be readily extended to Polarization-Adjusted-Convolutional (PAC) codes, where existing SC decoders are significantly less reliable. To the best of our knowledge, CRISP constructs the first data-driven decoder for PAC codes and attains near-optimal performance on the $\text{PAC}(32,16)$ code.

The Abstraction and Reasoning Corpus (ARC) (Chollet, 2019) and its most recent language-complete instantiation (LARC) has been postulated as an important step towards general AI. Yet, even state-of-the-art machine learning models struggle to achieve meaningful performance on these problems, falling behind non-learning based approaches. We argue that solving these tasks requires extreme generalization that can only be achieved by proper accounting for core knowledge priors. As a step towards this goal, we focus on geometry priors and introduce LatFormer, a model that incorporates lattice symmetry priors in attention masks. We show that, for any transformation of the hypercubic lattice, there exists a binary attention mask that implements that group action. Hence, our study motivates a modification to the standard attention mechanism, where attention weights are scaled using soft masks generated by a convolutional network. Experiments on synthetic geometric reasoning show that LatFormer requires 2 orders of magnitude fewer data than standard attention and transformers. Moreover, our results on ARC and LARC tasks that incorporate geometric priors provide preliminary evidence that these complex datasets do not lie out of the reach of deep learning models.

We study a family of loss functions named label-distributionally robust (LDR) losses for multi-class classification that are formulated from distributionally robust optimization (DRO) perspective, where the uncertainty in the given label information are modeled and captured by taking the worse case of distributional weights. The benefits of this perspective are several fold: (i) it provides a unified framework to explain the classical cross-entropy (CE) loss and SVM loss and their variants, (ii) it includes a special family corresponding to the temperature-scaled CE loss, which is widely adopted but poorly understood; (iii) it allows us to achieve adaptivity to the uncertainty degree of label information at an instance level. Our contributions include: (1) we study both consistency and robustness by establishing top-$k$ ($\forall k\geq 1$) consistency of LDR losses for multi-class classification, and a negative result that a top-$1$ consistent and symmetric robust loss cannot achieve top-$k$ consistency simultaneously for all $k\geq 2$; (2) we propose a new adaptive LDR loss that automatically adapts the individualized temperature parameter to the noise degree of class label of each instance; (3) we demonstrate stable and competitive performance for the proposed adaptive LDR loss on 7 benchmark datasets under 6 noisy label and 1 clean settings against 13 loss functions, and on one real-world noisy dataset. The method is open-sourced at https://github.com/Optimization-AI/ICML2023_LDR.

We study the domain adaptation problem with label shift in this work. Under the label shift context, the marginal distribution of the label varies across the training and testing datasets, while the conditional distribution of features given the label is the same. Traditional label shift adaptation methods either suffer from large estimation errors or require cumbersome post-prediction calibrations. To address these issues, we first propose a moment-matching framework for adapting the label shift based on the geometry of the influence function. Under such a framework, we propose a novel method named $\underline{\mathrm{E}}$fficient $\underline{\mathrm{L}}$abel $\underline{\mathrm{S}}$hift $\underline{\mathrm{A}}$daptation (ELSA), in which the adaptation weights can be estimated by solving linear systems. Theoretically, the ELSA estimator is $\sqrt{n}$-consistent ($n$ is the sample size of the source data) and asymptotically normal. Empirically, we show that ELSA can achieve state-of-the-art estimation performances without post-prediction calibrations, thus, gaining computational efficiency.

The development of largely human-annotated benchmarks has driven the success of deep neural networks in various NLP tasks. To enhance the effectiveness of existing benchmarks, collecting new additional input-output pairs is often too costly and challenging, particularly considering their marginal impact on improving the current model accuracy. Instead, additional or complementary annotations on the existing input texts in the benchmarks can be preferable as an efficient way to pay the additional human cost. In this paper, we investigate task-specific preferences between pairs of input texts as a new alternative way for such auxiliary data annotation. From pair-wise comparisons with respect to the task, the auxiliary preference learning enables the model to learn an additional informative training signal that cannot be captured with instance-wise task labels. To this end, we propose a novel multi-task learning framework, called prefer-to-classify (P2C), which can enjoy the cooperative effect of learning both the given classification task and the auxiliary preferences. Here, we provide three different ways to collect preference signals in practice: (a) implicitly extracting from annotation records (for free, but often unavailable), (b) collecting explicitly from crowd workers (high paid), or (c) pre-trained large language models such as GPT-3 (low paid). Given existing classification NLP benchmarks, we demonstrate that the proposed auxiliary preference learning via P2C on them is effective in improving text classifiers. Our codes are publicly available.

We perform an empirical study of the behaviour of deep networks when fully linearizing some of its feature channels through a sparsity prior on the overall number of nonlinear units in the network. In experiments on image classification and machine translation tasks, we investigate how much we can simplify the network function towards linearity before performance collapses. First, we observe a significant performance gap when reducing nonlinearity in the network function early on as opposed to late in training, in-line with recent observations on the time-evolution of the data-dependent NTK. Second, we find that after training, we are able to linearize a significant number of nonlinear units while maintaining a high performance, indicating that much of a network's expressivity remains unused but helps gradient descent in early stages of training. To characterize the depth of the resulting partially linearized network, we introduce a measure called average path length, representing the average number of active nonlinearities encountered along a path in the network graph. Under sparsity pressure, we find that the remaining nonlinear units organize into distinct structures, forming core-networks of near constant effective depth and width, which in turn depend on task difficulty.

Continual learning (CL), which aims to learn a sequence of tasks, has attracted significant recent attention. However, most work has focused on the experimental performance of CL, and theoretical studies of CL are still limited. In particular, there is a lack of understanding on what factors are important and how they affect "catastrophic forgetting" and generalization performance. To fill this gap, our theoretical analysis, under overparameterized linear models, provides the first-known explicit form of the expected forgetting and generalization error for a general CL setup with an arbitrary number of tasks. Further analysis of such a key result yields a number of theoretical explanations about how overparameterization, task similarity, and task ordering affect both forgetting and generalization error of CL. More interestingly, by conducting experiments on real datasets using deep neural networks (DNNs), we show that some of these insights even go beyond the linear models and can be carried over to practical setups. In particular, we use concrete examples to show that our results not only explain some interesting empirical observations in recent studies, but also motivate better practical algorithm designs of CL.

Existing neural active learning algorithms have aimed to optimize the predictive performance of neural networks (NNs) by selecting data for labelling. However, other than a good predictive performance, being robust against random parameter initializations is also a crucial requirement in safety-critical applications. To this end, we introduce our expected variance with Gaussian processes (EV-GP) criterion for neural active learning, which is theoretically guaranteed to select data points which lead to trained NNs with both (a) good predictive performances and (b) initialization robustness. Importantly, our EV-GP criterion is training-free, i.e., it does not require any training of the NN during data selection, which makes it computationally efficient. We empirically demonstrate that our EV-GP criterion is highly correlated with both initialization robustness and generalization performance, and show that it consistently outperforms baseline methods in terms of both desiderata, especially in situations with limited initial data or large batch sizes.

$k$-Clustering in $\mathbb{R}^d$ (e.g., $k$-median and $k$-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality $n$, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for $k$-clustering in $\mathbb{R}^d$ with $\tilde{O}(\sqrt{nk}d^{3/2})$ query complexity. Our coreset reduces the input size from $n$ to $\mathrm{poly}(k\epsilon^{-1}d)$, so that existing $\alpha$-approximation algorithms for clustering can run on top of it and yield $(1 + \epsilon)\alpha$-approximation. This eventually yields a quadratic speedup for various $k$-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make $\Omega(\sqrt{nk})$ queries in order to achieve even $O(1)$-approximation for $k$-clustering.

Identifying prognostic genes associated with patient survival is an important goal in cancer genomics, as this information could inform treatment approaches and improve patient outcomes. However, the identification of prognostic genes is complicated by the high dimensionality of genetic data, which makes their identification computationally intensive. Furthermore, most cancer genomics studies lack appropriate low-risk groups against which to compare. To address these issues, we present a framework that identifies candidate prognostic genes by integrating representation learning and statistical analysis approaches. Specifically, we propose a collaborative filtering-derived mechanism to represent patients in order of their survival risk, facilitating their dichotomization. We also propose a mechanism that allows embedded gene vectors to be polarized on the extremities of, or centered on, both reference axes to facilitate recommendations. Restricting our analysis to a few representative genes within each cluster allowed for the efficient identification of prognostic genes. Finally, we demonstrate the potential of this proposed framework for identifying prognostic genes.

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under graph rewiring.

Unsupervised disentanglement is a long-standing challenge in representation learning. Recently, self-supervised techniques achieved impressive results in the sequential setting, where data is time-dependent. However, the latter methods employ modality-based data augmentations and random sampling or solve auxiliary tasks. In this work, we propose to avoid that by generating, sampling, and comparing empirical distributions from the underlying variational model. Unlike existing work, we introduce a self-supervised sequential disentanglement framework based on contrastive estimation with no external signals, while using common batch sizes and samples from the latent space itself. In practice, we propose a unified, efficient, and easy-to-code sampling strategy for semantically similar and dissimilar views of the data. We evaluate our approach on video, audio, and time series benchmarks. Our method presents state-of-the-art results in comparison to existing techniques. The code is available at https://github.com/azencot-group/SPYL.

Backdoor (Trojan) attack is a common threat to deep neural networks, where samples from one or more source classes embedded with a backdoor trigger will be misclassified to adversarial target classes. Existing methods for detecting whether a classifier is backdoor attacked are mostly designed for attacks with a single adversarial target (e.g., all-to-one attack). To the best of our knowledge, without supervision, no existing methods can effectively address the more general X2X attack with an arbitrary number of source classes, each paired with an arbitrary target class. In this paper, we propose UMD, the first Unsupervised Model Detection method that effectively detects X2X backdoor attacks via a joint inference of the adversarial (source, target) class pairs. In particular, we first define a novel transferability statistic to measure and select a subset of putative backdoor class pairs based on a proposed clustering approach. Then, these selected class pairs are jointly assessed based on an aggregation of their reverse-engineered trigger size for detection inference, using a robust and unsupervised anomaly detector we proposed. We conduct comprehensive evaluations on CIFAR-10, GTSRB, and Imagenette dataset, and show that our unsupervised UMD outperforms SOTA detectors (even with supervision) by 17%, 4%, and 8%, respectively, in terms of the detection accuracy against diverse X2X attacks. We also show the strong detection performance of UMD against several strong adaptive attacks.

We study regret minimization for reinforcement learning (RL) in Latent Markov Decision Processes (LMDPs) with context in hindsight. We design a novel model-based algorithmic framework which can be instantiated with both a model-optimistic and a value-optimistic solver. We prove an $\tilde{O}(\sqrt{\mathsf{Var}^\star M \Gamma S A K})$ regret bound where $\tilde{O}$ hides logarithm factors, $M$ is the number of contexts, $S$ is the number of states, $A$ is the number of actions, $K$ is the number of episodes, $\Gamma \le S$ is the maximum transition degree of any state-action pair, and $\mathsf{Var}^\star$ is a variance quantity describing the determinism of the LMDP. The regret bound only scales logarithmically with the planning horizon, thus yielding the first (nearly) horizon-free regret bound for LMDP. This is also the first problem-dependent regret bound for LMDP. Key in our proof is an analysis of the total variance of alpha vectors (a generalization of value functions), which is handled with a truncation method. We complement our positive result with a novel $\Omega(\sqrt{\mathsf{Var}^\star M S A K})$ regret lower bound with $\Gamma = 2$, which shows our upper bound minimax optimal when $\Gamma$ is a constant for the class of variance-bounded LMDPs. Our lower bound relies on new constructions of hard instances and an argument inspired by the symmetrization technique from theoretical computer science, both of which are technically different from existing lower bound proof for MDPs, and thus can be of independent interest.

We analyze Elman-type recurrent neural networks (RNNs) and their training in the mean-field regime. Specifically, we show convergence of gradient descent training dynamics of the RNN to the corresponding mean-field formulation in the large width limit. We also show that the fixed points of the limiting infinite-width dynamics are globally optimal, under some assumptions on the initialization of the weights. Our results establish optimality for feature-learning with wide RNNs in the mean-field regime.

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in expressivity, they have frequently come at the expense of decreased efficiency or have been restricted to specific types of graphs. In this study, we investigate the expressivity of GNNs from the perspective of graph search. Specifically, we propose a new vertex colouring scheme and demonstrate that classical search algorithms can efficiently compute graph representations that extend beyond the 1-WL. We show the colouring scheme inherits useful properties from graph search that can help solve problems like graph biconnectivity. Furthermore, we show that under certain conditions, the expressivity of GNNs increases hierarchically with the radius of the search neighbourhood. To further investigate the proposed scheme, we develop a new type of GNN based on two search strategies, breadth-first search and depth-first search, highlighting the graph properties they can capture on top of 1-WL. Our code is available at https://github.com/seanli3/lvc.

With growing attention to tabular data these days, the attempt to apply a synthetic table to various tasks has been expanded toward various scenarios. Owing to the recent advances in generative modeling, fake data generated by tabular data synthesis models become sophisticated and realistic. However, there still exists a difficulty in modeling discrete variables (columns) of tabular data. In this work, we propose to process continuous and discrete variables separately (but being conditioned on each other) by two diffusion models. The two diffusion models are co-evolved during training by reading conditions from each other. In order to further bind the diffusion models, moreover, we introduce a contrastive learning method with a negative sampling method. In our experiments with 11 real-world tabular datasets and 8 baseline methods, we prove the efficacy of the proposed method, called $\texttt{CoDi}$. Our code is available at https://github.com/ChaejeongLee/CoDi.

Bayesian approaches for learning deep neural networks (BNN) have been received much attention and successfully applied to various applications. Particularly, BNNs have the merit of having better generalization ability as well as better uncertainty quantification. For the success of BNN, search an appropriate architecture of the neural networks is an important task, and various algorithms to find good sparse neural networks have been proposed. In this paper, we propose a new node-sparse BNN model which has good theoretical properties and is computationally feasible. We prove that the posterior concentration rate to the true model is near minimax optimal and adaptive to the smoothness of the true model. In particular the adaptiveness is the first of its kind for node-sparse BNNs. In addition, we develop a novel MCMC algorithm which makes the Bayesian inference of the node-sparse BNN model feasible in practice.