ICML 2023 Papers

Contrastive learning has shown outstanding performances in both supervised and unsupervised learning, and has recently been introduced to solve weakly supervised learning problems such as semi-supervised learning and noisy label learning. Despite the empirical evidence showing that semi-supervised labels improve the representations of contrastive learning, it remains unknown if noisy supervised information can be directly used in training instead of after manual denoising. Therefore, to explore the mechanical differences between semi-supervised and noisy-labeled information in helping contrastive learning, we establish a unified theoretical framework of contrastive learning under weak supervision. Specifically, we investigate the most intuitive paradigm of jointly training supervised and unsupervised contrastive losses. By translating the weakly supervised information into a similarity graph under the framework of spectral clustering based on the posterior probability of weak labels, we establish the downstream classification error bound. We prove that semi-supervised labels improve the downstream error bound whereas noisy labels have limited effects under such a paradigm. Our theoretical findings here provide new insights for the community to rethink the role of weak supervision in helping contrastive learning.

Multiview Self-Supervised Learning (MSSL) is based on learning invariances with respect to a set of input transformations. However, invariance partially or totally removes transformation-related information from the representations, which might harm performance for specific downstream tasks that require such information. We propose 2D strUctured and EquivarianT representations (coined DUET), which are 2d representations organized in a matrix structure, and equivariant with respect to transformations acting on the input data. DUET representations maintain information about an input transformation, while remaining semantically expressive. Compared to SimCLR (Chen et al., 2020) (unstructured and invariant) and ESSL (Dangovski et al., 2022) (unstructured and equivariant), the structured and equivariant nature of DUET representations enables controlled generation with lower reconstruction error, while controllability is not possible with SimCLR or ESSL. DUET also achieves higher accuracy for several discriminative tasks, and improves transfer learning.

The generalization performance of machine learning methods depends heavily on the quality of data representation. However, existing researches rarely consider representation learning from the perspective of generalization error. In this paper, we prove that generalization error of representation learning function can be estimated effectively by solving two convex optimization problems. Based on it, we propose a general representation learning framework. And then, we apply the proposed framework to two most commonly used nonlinear mapping methods, i.e., kernel based method and deep neural network (DNN), and thus design a kernel selection method and a DNN boosting framework, correspondingly. Finally, extensive experiments verify the effectiveness of the proposed methods.

Network binarization emerges as one of the most promising compression approaches offering extraordinary computation and memory savings by minimizing the bit-width. However, recent research has shown that applying existing binarization algorithms to diverse tasks, architectures, and hardware in realistic scenarios is still not straightforward. Common challenges of binarization, such as accuracy degradation and efficiency limitation, suggest that its attributes are not fully understood. To close this gap, we present BiBench, a rigorously designed benchmark with in-depth analysis for network binarization. We first carefully scrutinize the requirements of binarization in the actual production and define evaluation tracks and metrics for a comprehensive and fair investigation. Then, we evaluate and analyze a series of milestone binarization algorithms that function at the operator level and with extensive influence. Our benchmark reveals that 1) the binarized operator has a crucial impact on the performance and deployability of binarized networks; 2) the accuracy of binarization varies significantly across different learning tasks and neural architectures; 3) binarization has demonstrated promising efficiency potential on edge devices despite the limited hardware support. The results and analysis also lead to a promising paradigm for accurate and efficient binarization. We believe that BiBench will contribute to the broader adoption of binarization and serve as a foundation for future research. The code for our BiBench is released https://github.com/htqin/BiBench .

Iterative methods are ubiquitous in large-scale scientific computing applications, and a number of approaches based on meta-learning have been recently proposed to accelerate them. However, a systematic study of these approaches and how they differ from meta-learning is lacking. In this paper, we propose a framework to analyze such learning-based acceleration approaches, where one can immediately identify a departure from classical meta-learning. We theoretically show that this departure may lead to arbitrary deterioration of model performance, and at the same time, we identify a methodology to ameliorate it by modifying the loss objective, leading to a novel training method for learning-based acceleration of iterative algorithms. We demonstrate the significant advantage and versatility of the proposed approach through various numerical applications.

Learning to predict reliable characteristic orientations of 3D point clouds is an important yet challenging problem, as different point clouds of the same class may have largely varying appearances. In this work, we introduce a novel method to decouple the shape geometry and semantics of the input point cloud to achieve both stability and consistency. The proposed method integrates shape-geometry-based SO(3)-equivariant learning and shape-semantics-based SO(3)-invariant residual learning, where a final characteristic orientation is obtained by calibrating an SO(3)-equivariant orientation hypothesis using an SO(3)-invariant residual rotation. In experiments, the proposed method not only demonstrates superior stability and consistency but also exhibits state-of-the-art performances when applied to point cloud part segmentation, given randomly rotated inputs.

Clustering is a fundamental building block of modern statistical analysis pipelines. Fair clustering has seen much attention from the machine learning community in recent years. We are some of the first to study fairness in the context of hierarchical clustering, after the results of Ahmadian et al. from NeurIPS in 2020. We evaluate our results using Dasgupta's cost function, perhaps one of the most prevalent theoretical metrics for hierarchical clustering evaluation. Our work vastly improves the previous $O(n^{5/6}poly\log(n))$ fair approximation for cost to a near polylogarithmic $O(n^\delta poly\log(n))$ fair approximation for any constant $\delta\in(0,1)$. This result establishes a cost fairness tradeoff and extends to broader fairness constraints than the previous work. We also show how to alter existing hierarchical clusterings to guarantee fairness and cluster balance across any level in the hierarchy.

Typical machine learning applications always assume the data follows independent and identically distributed (IID) assumptions. In contrast, this assumption is frequently violated in real-world circumstances, leading to the Out-of-Distribution (OOD) generalization problem and a major drop in model robustness. To mitigate this issue, the invariant learning technique is leveraged to distinguish between spurious features and invariant features among all input features and to train the model purely on the basis of the invariant features. Numerous invariant learning strategies imply that the training data should contain domain information. Such information includes the environment index or auxiliary information acquired from prior knowledge. However, acquiring these information is typically impossible in practice. In this study, we present TIVA for environment-independent invariance learning, which requires no environment-specific information in training data. We discover and prove that, given certain mild data conditions, it is possible to train an environment partitioning policy based on attributes that are independent of the targets and then conduct invariant risk minimization. We examine our method in comparison to other baseline methods, which demonstrate superior performance and excellent robustness under OOD, using multiple benchmarks.

In this paper, we propose sample complexity bounds for learning a simplex from noisy samples. A dataset of size $n$ is given which includes i.i.d. samples drawn from a uniform distribution over an unknown arbitrary simplex in $\mathbb{R}^K$, where samples are assumed to be corrupted by a multi-variate additive Gaussian noise of an arbitrary magnitude. We prove the existence of an algorithm that with high probability outputs a simplex having a $\ell_2$ distance of at most $\varepsilon$ from the true simplex (for any $\varepsilon>0$). Also, we theoretically show that in order to achieve this bound, it is sufficient to have $n\ge\tilde{\Omega}\left(K^2/\varepsilon^2\right)e^{\Omega\left(K/\mathrm{SNR}^2\right)}$ samples, where $\mathrm{SNR}$ stands for the signal-to-noise ratio and is defined as the ratio of the maximum component-wise standard deviation of the simplex (signal) to that of the noise vector. This result solves an important open problem in this area of research, and shows as long as $\mathrm{SNR}\ge\Omega\left(\sqrt{K}\right)$ the sample complexity of the noisy regime has the same order to that of the noiseless case. Our proofs are a combination of the so-called sample compression technique in (Ashtiani et al., 2018), mathematical tools from high-dimensional geometry, and Fourier analysis. In particular, we have proposed a general Fourier-based technique for recovery of a more general class of distribution families from additive Gaussian noise, which can be further used in a variety of other related problems.

In order to improve reproducibility, deep reinforcement learning (RL) has been adopting better scientific practices such as standardized evaluation metrics and reporting. However, the process of hyperparameter optimization still varies widely across papers, which makes it challenging to compare RL algorithms fairly. In this paper, we show that hyperparameter choices in RL can significantly affect the agent's final performance and sample efficiency, and that the hyperparameter landscape can strongly depend on the tuning seed which may lead to overfitting. We therefore propose adopting established best practices from AutoML, such as the separation of tuning and testing seeds, as well as principled hyperparameter optimization (HPO) across a broad search space. We support this by comparing multiple state-of-the-art HPO tools on a range of RL algorithms and environments to their hand-tuned counterparts, demonstrating that HPO approaches often have higher performance and lower compute overhead. As a result of our findings, we recommend a set of best practices for the RL community, which should result in stronger empirical results with fewer computational costs, better reproducibility, and thus faster progress. In order to encourage the adoption of these practices, we provide plug-and-play implementations of the tuning algorithms used in this paper at https://github.com/facebookresearch/how-to-autorl.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (*precondition phase*) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (*mask-learning phase*). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.

Contrastive learning (CL) has emerged as a powerful technique for representation learning, with or without label supervision. However, supervised CL is prone to collapsing representations of subclasses within a class by not capturing all their features, and unsupervised CL may suppress harder class-relevant features by focusing on learning easy class-irrelevant features; both significantly compromise representation quality. Yet, there is no theoretical understanding of *class collapse* or *feature suppression* at *test* time. We provide the first unified theoretically rigorous framework to determine *which* features are learnt by CL. Our analysis indicate that, perhaps surprisingly, bias of (stochastic) gradient descent towards finding simpler solutions is a key factor in collapsing subclass representations and suppressing harder class-relevant features. Moreover, we present increasing embedding dimensionality and improving the quality of data augmentations as two theoretically motivated solutions to feature suppression. We also provide the first theoretical explanation for why employing supervised and unsupervised CL together yields higher-quality representations, even when using commonly-used stochastic gradient methods.