ICML 2023 论文列表

As Machine Learning as a Service (MLaaS) platforms become prevalent, deep neural network (DNN) watermarking techniques are gaining increasing attention, which enables one to verify the ownership of a target DNN model in a black-box scenario. Unfortunately, previous watermarking methods are vulnerable to functionality stealing attacks, thus allowing an adversary to falsely claim the ownership of a DNN model stolen from its original owner. In this work, we propose a novel margin-based DNN watermarking approach that is robust to the functionality stealing attacks based on model extraction and distillation. Specifically, during training, our method maximizes the margins of watermarked samples by using projected gradient ascent on them so that their predicted labels cannot change without compromising the accuracy of the model that the attacker tries to steal. We validate our method on multiple benchmarks and show that our watermarking method successfully defends against model extraction attacks, outperforming recent baselines.

Minimax-fair machine learning minimizes the error for the worst-off group. However, empirical evidence suggests that when sophisticated models are trained with standard empirical risk minimization (ERM), they often have the same performance on the worst-off group as a minimax-trained model. Our work makes this counter-intuitive observation concrete. We prove that if the hypothesis class is sufficiently expressive and the group information is recoverable from the features, ERM and minimax-fairness learning formulations indeed have the same performance on the worst-off group. We provide additional empirical evidence of how this observation holds on a wide range of datasets and hypothesis classes. Since ERM is fundamentally easier than minimax optimization, our findings have implications on the practice of fair machine learning.

When facing data with imbalanced classes or groups, practitioners follow an intriguing strategy to achieve best results. They throw away examples until the classes or groups are balanced in size, and then perform empirical risk minimization on the reduced training set. This opposes common wisdom in learning theory, where the expected error is supposed to decrease as the dataset grows in size. In this work, we leverage extreme value theory to address this apparent contradiction. Our results show that the tails of the data distribution play an important role in determining the worst-group-accuracy of linear classifiers. When learning on data with heavy tails, throwing away data restores the geometric symmetry of the resulting classifier, and therefore improves its worst-group generalization.

We propose a new class of online learning algorithms, generalized implicit Follow-The-Regularized-Leader (FTRL), that expands the scope of FTRL framework. Generalized implicit FTRL can recover known algorithms, such as FTRL with linearized losses and implicit FTRL, and it allows the design of new update rules, as extensions of aProx and Mirror-Prox to FTRL. Our theory is constructive in the sense that it provides a simple unifying framework to design updates that directly improve the worst-case upper bound on the regret. The key idea is substituting the linearization of the losses with a Fenchel-Young inequality. We show the flexibility of the framework by proving that some known algorithms, like the Mirror-Prox updates, are instantiations of the generalized implicit FTRL. Finally, the new framework allows us to recover the temporal variation bound of implicit OMD, with the same computational complexity.

Underlying data structures, such as symmetries or invariance to transformations, are often exploited to improve the solution of learning tasks. However, embedding these properties in models or learning algorithms can be challenging and computationally intensive. Data augmentation, on the other hand, induces these symmetries during training by applying multiple transformations to the input data. Despite its ubiquity, its effectiveness depends on the choices of which transformations to apply, when to do so, and how often. In fact, there is both empirical and theoretical evidence that the indiscriminate use of data augmentation can introduce biases that outweigh its benefits. This work tackles these issues by automatically adapting the data augmentation while solving the learning task. To do so, it formulates data augmentation as an invariance constrained learning problem and leverages Monte Carlo Markov Chain (MCMC) sampling to solve it. The result is an algorithm that not only does away with a priori searches for augmentation distributions, but also dynamically controls if and when data augmentation is applied. We validate empirically our theoretical developments in automatic data augmentation benchmarks for CIFAR and ImageNet-100 datasets. Furthermore, our experiments show how this approach can be used to gather insights on the actual symmetries underlying a learning task.

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have recently been proposed, in large part building upon precursors from the more traditional graph neural network (GNN) literature. Somewhat differently, in this paper we begin by presenting an expressive family of parameterized, hypergraph-regularized energy functions. We then demonstrate how minimizers of these energies effectively serve as node embeddings that, when paired with a parameterized classifier, can be trained end-to-end via a supervised bilevel optimization process. Later, we draw parallels between the implicit architecture of the predictive models emerging from the proposed bilevel hypergraph optimization, and existing GNN architectures in common use. Empirically, we demonstrate state-of-the-art results on various hypergraph node classification benchmarks. Code is available at https://github.com/yxzwang/PhenomNN.

We study the design decision of publicly available instruction tuning methods, by reproducing and breaking down the development of Flan 2022 (Chung et al., 2022). Through careful ablation studies on the Flan Collection of tasks and methods, we tease apart the effect of design decisions which enable Flan-T5 to outperform prior work by 3-17% across evaluation settings. We find task balancing and enrichment techniques are overlooked but critical to effective instruction tuning, and in particular, training with mixed prompt settings (zero-shot, few-shot, chain-of-thought) actually yields equivalent or stronger (2%) performance in all settings. In further experiments we show Flan-T5 requires less finetuning to converge higher and faster than T5 on single downstream tasks -- motivating instruction-tuned models as more computationally-efficient starting checkpoints for new tasks. Finally, to accelerate research on instruction tuning, we make the Flan 2022 collection of datasets, templates, and methods publicly available.

Selecting hyperparameters in deep learning greatly impacts its effectiveness but requires manual effort and expertise. Recent works show that Bayesian model selection with Laplace approximations can allow to optimize such hyperparameters just like standard neural network parameters using gradients and on the training data. However, estimating a single hyperparameter gradient requires a pass through the entire dataset, limiting the scalability of such algorithms. In this work, we overcome this issue by introducing lower bounds to the linearized Laplace approximation of the marginal likelihood. In contrast to previous estimators, these bounds are amenable to stochastic-gradient-based optimization and allow to trade off estimation accuracy against computational complexity. We derive them using the function-space form of the linearized Laplace, which can be estimated using the neural tangent kernel. Experimentally, we show that the estimators can significantly accelerate gradient-based hyperparameter optimization.

Current protein language models (PLMs) learn protein representations mainly based on their sequences, thereby well capturing co-evolutionary information, but they are unable to explicitly acquire protein functions, which is the end goal of protein representation learning. Fortunately, for many proteins, their textual property descriptions are available, where their various functions are also described. Motivated by this fact, we first build the ProtDescribe dataset to augment protein sequences with text descriptions of their functions and other important properties. Based on this dataset, we propose the ProtST framework to enhance Protein Sequence pre-training and understanding by biomedical Texts. During pre-training, we design three types of tasks, i.e., unimodal mask prediction, multimodal representation alignment and multimodal mask prediction, to enhance a PLM with protein property information with different granularities and, at the same time, preserve the PLM's original representation power. On downstream tasks, ProtST enables both supervised learning and zero-shot prediction. We verify the superiority of ProtST-induced PLMs over previous ones on diverse representation learning benchmarks. Under the zero-shot setting, we show the effectiveness of ProtST on zero-shot protein classification, and ProtST also enables functional protein retrieval from a large-scale database without any function annotation.

We here present a stepping stone towards a deeper understanding of convolutional neural networks (CNNs) in the form of a theory of learning in linear CNNs. Through analyzing the gradient descent equations, we discover that the evolution of the network during training is determined by the interplay between the dataset structure and the convolutional network structure. We show that linear CNNs discover the statistical structure of the dataset with non-linear, ordered, stage-like transitions, and that the speed of discovery changes depending on the relationship between the dataset and the convolutional network structure. Moreover, we find that this interplay lies at the heart of what we call the "dominant frequency bias", where linear CNNs arrive at these discoveries using only the dominant frequencies of the different structural parts present in the dataset. We furthermore provide experiments that show how our theory relates to deep, non-linear CNNs used in practice. Our findings shed new light on the inner working of CNNs, and can help explain their shortcut learning and their tendency to rely on texture instead of shape.

Active learning is perhaps most naturally posed as an online learning problem. However, prior active learning approaches with deep neural networks assume offline access to the entire dataset ahead of time. This paper proposes VeSSAL, a new algorithm for batch active learning with deep neural networks in streaming settings, which samples groups of points to query for labels at the moment they are encountered. Our approach trades off between uncertainty and diversity of queried samples to match a desired query rate without requiring any hand-tuned hyperparameters. Altogether, we expand the applicability of deep neural networks to realistic active learning scenarios, such as applications relevant to HCI and large, fractured datasets.

Copy-Paste is a simple and effective data augmentation strategy for instance segmentation. By randomly pasting object instances onto new background images, it creates new training data for free and significantly boosts the segmentation performance, especially for rare object categories. Although diverse, high-quality object instances used in Copy-Paste result in more performance gain, previous works utilize object instances either from human-annotated instance segmentation datasets or rendered from 3D object models, and both approaches are too expensive to scale up to obtain good diversity. In this paper, we revisit Copy-Paste at scale with the power of newly emerged zero-shot recognition models (e.g., CLIP) and text2image models (e.g., StableDiffusion). We demonstrate for the first time that using a text2image model to generate images or zero-shot recognition model to filter noisily crawled images for different object categories is a feasible way to make Copy-Paste truly scalable. To make such success happen, we design a data acquisition and processing framework, dubbed ``X-Paste", upon which a systematic study is conducted. On the LVIS dataset, X-Paste provides impressive improvements over the strong baseline CenterNet2 with Swin-L as the backbone. Specifically, it archives +2.6 box AP and +2.1 mask AP gains on all classes and even more significant gains with +6.8 box AP +6.5 mask AP on long-tail classes.

The Johnson-Lindenstaruss lemma (Johnson & Lindenstrauss, 1984) is a cornerstone result in dimensionality reduction, stating it is possible to embed a set of $n$ points in $d$-dimensional Euclidean space into optimal $k=O(\varepsilon^{-2} \ln n)$ dimensions, while preserving all pairwise distances to within a factor $(1 \pm \varepsilon)$. The seminal Fast Johnson-Lindenstrauss (Fast JL) transform by Ailon and Chazelle (SICOMP'09) supports computing the embedding of a data point in $O(d \ln d +k \ln^2 n)$ time, where the $d \ln d$ term comes from multiplication with a $d \times d$ Hadamard matrix and the $k \ln^2 n$ term comes from multiplication with a sparse $k \times d$ matrix. Despite the Fast JL transform being more than a decade old, it is one of the fastest dimensionality reduction techniques for many tradeoffs between $\varepsilon, d$ and $n$. In this work, we give a surprising new analysis of the Fast JL transform, showing that the $k \ln^2 n$ term in the embedding time can be improved to $(k \ln^2 n)/\alpha$ for an $\alpha = \Omega(\min\{\varepsilon^{-1}\ln(1/\varepsilon), \ln n\})$. The improvement follows by using an even sparser matrix. We complement our improved analysis with a lower bound showing that our new analysis is in fact tight.

Non-linear state-space models, also known as general hidden Markov models (HMM), are ubiquitous in statistical machine learning, being the most classical generative models for serial data and sequences. Learning in HMM, either via Maximum Likelihood Estimation (MLE) or Markov Score Climbing (MSC) requires the estimation of the- smoothing expectation of some additive functionals. Controlling the bias and the variance of this estimation is crucial to establish the convergence of learning algorithms. Our first contribution is to design a novel additive smoothing algorithm, the Parisian particle Gibbs (PPG) sampler, which can be viewed as a PaRIS (Olsson, Westerborn 2017) algorithm driven by conditional SMC moves, resulting in bias-reduced estimates of the targeted quantities. We substantiate the PPG algorithm with theoretical results, including new bounds on bias and variance as well as deviation inequalities. We then establish, in the learning context, and under standard assumptions, non-asymptotic bounds highlighting the value of bias reduction and the implicit Rao--Blackwellization of PPG. These are the first non-asymptotic results of this kind in this setting. We illustrate our theoretical results with numerical experiments supporting our claims.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena. Code is available at https://github.com/grasp-lyrl/picture_of_space_of_tasks.

Federated bilevel learning has received increasing attention in various emerging machine learning and communication applications. Recently, several Hessian-vector-based algorithms have been proposed to solve the federated bilevel optimization problem. However, several important properties in federated learning such as the partial client participation and the linear speedup for convergence (i.e., the convergence rate and complexity are improved linearly with respect to the number of sampled clients) in the presence of non-i.i.d. datasets, still remain open. In this paper, we fill these gaps by proposing a new federated bilevel algorithm named FedMBO with a novel client sampling scheme in the federated hypergradient estimation. We show that FedMBO achieves a convergence rate of $\mathcal{O}\big(\frac{1}{\sqrt{nK}}+\frac{1}{K}+\frac{\sqrt{n}}{K^{3/2}}\big)$ on non-i.i.d. datasets, where $n$ is the number of participating clients in each round, and $K$ is the total number of iteration. This is the first theoretical linear speedup result for non-i.i.d. federated bilevel optimization. Extensive experiments validate our theoretical results and demonstrate the effectiveness of our proposed method.

Finding the mixed Nash equilibria (MNE) of a two-player zero sum continuous game is an important and challenging problem in machine learning. A canonical algorithm to finding the MNE is the noisy gradient descent ascent method which in the infinite particle limit gives rise to the Mean-Field Gradient Descent Ascent (GDA) dynamics on the space of probability measures. In this paper, we first study the convergence of a two-scale Mean-Field GDA dynamics for finding the MNE of the entropy-regularized objective. More precisely we show that for each finite temperature (or regularization parameter), the two-scale Mean-Field GDA with a suitable finite scale ratio converges exponentially to the unique MNE without assuming the convexity or concavity of the interaction potential. The key ingredient of our proof lies in the construction of new Lyapunov functions that dissipate exponentially along the Mean-Field GDA. We further study the simulated annealing of the Mean-Field GDA dynamics. We show that with a temperature schedule that decays logarithmically in time the annealed Mean-Field GDA converges to the MNE of the original unregularized objective.

We study the problem of imputing missing values in a dataset, which has important applications in many domains. The key to missing value imputation is to capture the data distribution with incomplete samples and impute the missing values accordingly. In this paper, by leveraging the fact that any two batches of data with missing values come from the same data distribution, we propose to impute the missing values of two batches of samples by transforming them into a latent space through deep invertible functions and matching them distributionally. To learn the transformations and impute the missing values simultaneously, a simple and well-motivated algorithm is proposed. Our algorithm has fewer hyperparameters to fine-tune and generates high-quality imputations regardless of how missing values are generated. Extensive experiments over a large number of datasets and competing benchmark algorithms show that our method achieves state-of-the-art performance.

In this manuscript we consider the problem of generalized linear estimation on Gaussian mixture data with labels given by a single-index model. Our first result is a sharp asymptotic expression for the test and training errors in the high-dimensional regime. Motivated by the recent stream of results on the Gaussian universality of the test and training errors in generalized linear estimation, we ask ourselves the question: "when is a single Gaussian enough to characterize the error?". Our formula allows us to give sharp answers to this question, both in the positive and negative directions. More precisely, we show that the sufficient conditions for Gaussian universality (or lack thereof) crucially depend on the alignment between the target weights and the means and covariances of the mixture clusters, which we precisely quantify. In the particular case of least-squares interpolation, we prove a strong universality property of the training error and show it follows a simple, closed-form expression. Finally, we apply our results to real datasets, clarifying some recent discussions in the literature about Gaussian universality of the errors in this context.