GenAI4ELab/papercli-papers huggingface dataset:
Topological Point Cloud Clustering
Authors: Vincent Peter Grande; Michael T Schaub
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We present Topological Point Cloud Clustering (TPCC), a new method to cluster points in an arbitrary point cloud based on their contribution to global topological features. TPCC synthesizes desirable features from spectral clustering and topological data analysis and is based on considering the spectral properties of a simplicial complex associated to the considered point cloud. As it is based on considering sparse eigenvector computations, TPCC is similarly easy to interpret and implement as spectral clustering. However, by focusing not just on a single matrix associated to a graph created from the point cloud data, but on a whole set of Hodge-Laplacians associated to an appropriately constructed simplicial complex, we can leverage a far richer set of topological features to characterize the data points within the point cloud and benefit from the relative robustness of topological techniques against noise. We test the performance of TPCC on both synthetic and real-world data and compare it with classical spectral clustering.
Provably Efficient Offline Reinforcement Learning with Perturbed Data Sources
Authors: Chengshuai Shi; Wei Xiong; Cong Shen; Jing Yang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Existing theoretical studies on offline reinforcement learning (RL) mostly consider a dataset sampled directly from the target task. In practice, however, data often come from several heterogeneous but related sources. Motivated by this gap, this work aims at rigorously understanding offline RL with multiple datasets that are collected from randomly perturbed versions of the target task instead of from itself. An information-theoretic lower bound is derived, which reveals a necessary requirement on the number of involved sources in addition to that on the number of data samples. Then, a novel HetPEVI algorithm is proposed, which simultaneously considers the sample uncertainties from a finite number of data samples per data source and the source uncertainties due to a finite number of available data sources. Theoretical analyses demonstrate that HetPEVI can solve the target task as long as the data sources collectively provide a good data coverage. Moreover, HetPEVI is demonstrated to be optimal up to a polynomial factor of the horizon length. Finally, the study is extended to offline Markov games and offline robust RL, which demonstrates the generality of the proposed designs and theoretical analyses.
Trapdoor Normalization with Irreversible Ownership Verification
Authors: Hanwen Liu; Zhenyu Weng; Yuesheng Zhu; Yadong MU
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: This paper introduces a deep model watermark with an irreversible ownership verification scheme: Trapdoor Normalization (TdN), inspired by the trapdoor function in traditional cryptography. To protect intellectual property within deep models, the proposed method is able to embed ownership information into normalization layers during training. We argue and empirically validate that relevant methods are vulnerable to ambiguity attacks, where the forged watermarks can cast ambiguity over the ownership verification. The primary trait that distinguishes this work from previous ones, is its design of a bidirectional connection between watermarks and deep models. Thereby, TdN enables an irreversible ownership verification scheme that is difficult for the adversary to compromise. In this way, the proposed TdN can effectively defeat ambiguity attacks. Extensive experiments demonstrate that the proposed method is not only superior to previous state-of-the-art methods in robustness, but also has better efficiency.
Margin-based sampling in high dimensions: When being active is less efficient than staying passive
Authors: Alexandru Tifrea; Jacob Clarysse; Fanny Yang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: It is widely believed that given the same labeling budget, active learning (AL) algorithms like margin-based active learning achieve better predictive performance than passive learning (PL), albeit at a higher computational cost. Recent empirical evidence suggests that this added cost might be in vain, as margin-based AL can sometimes perform even worse than PL. While existing works offer different explanations in the low-dimensional regime, this paper shows that the underlying mechanism is entirely different in high dimensions: we prove for logistic regression that PL outperforms margin-based AL even for noiseless data and when using the Bayes optimal decision boundary for sampling. Insights from our proof indicate that this high-dimensional phenomenon is exacerbated when the separation between the classes is small. We corroborate this intuition with experiments on 20 high-dimensional datasets spanning a diverse range of applications, from finance and histology to chemistry and computer vision.
Random Matrix Analysis to Balance between Supervised and Unsupervised Learning under the Low Density Separation Assumption
Authors: Vasilii Feofanov; Malik Tiomoko; Aladin Virmaux
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We propose a theoretical framework to analyze semi-supervised classification under the low density separation assumption in a high-dimensional regime. In particular, we introduce QLDS, a linear classification model, where the low density separation assumption is implemented via quadratic margin maximization. The algorithm has an explicit solution with rich theoretical properties, and we show that particular cases of our algorithm are the least-square support vector machine in the supervised case, the spectral clustering in the fully unsupervised regime, and a class of semi-supervised graph-based approaches. As such, QLDS establishes a smooth bridge between these supervised and unsupervised learning methods. Using recent advances in the random matrix theory, we formally derive a theoretical evaluation of the classification error in the asymptotic regime. As an application, we derive a hyperparameter selection policy that finds the best balance between the supervised and the unsupervised terms of our learning criterion. Finally, we provide extensive illustrations of our framework, as well as an experimental study on several benchmarks to demonstrate that QLDS, while being computationally more efficient, improves over cross-validation for hyperparameter selection, indicating a high promise of the usage of random matrix theory for semi-supervised model selection.
On the Initialization of Graph Neural Networks
Authors: Jiahang Li; Yakun Song; Xiang song; David Wipf
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Graph Neural Networks (GNNs) have displayed considerable promise in graph representation learning across various applications. The core learning process requires the initialization of model weight matrices within each GNN layer, which is typically accomplished via classic initialization methods such as Xavier initialization. However, these methods were originally motivated to stabilize the variance of hidden embeddings and gradients across layers of Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to avoid vanishing gradients and maintain steady information flow. In contrast, within the GNN context classical initializations disregard the impact of the input graph structure and message passing on variance. In this paper, we analyze the variance of forward and backward propagation across GNN layers and show that the variance instability of GNN initializations comes from the combined effect of the activation function, hidden dimension, graph structure and message passing. To better account for these influence factors, we propose a new initialization method for Variance Instability Reduction within GNN Optimization (Virgo), which naturally tends to equate forward and backward variances across successive layers. We conduct comprehensive experiments on 15 datasets to show that Virgo can lead to superior model performance and more stable variance at initialization on node classification, link prediction and graph classification tasks.
When does Privileged information Explain Away Label Noise?
Authors: Guillermo Ortiz-Jimenez; Mark Collier; Anant Nawalgaria; Alexander D'Amour; Jesse Berent; Rodolphe Jenatton; Effrosyni Kokiopoulou
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Leveraging privileged information (PI), or features available during training but not at test time, has recently been shown to be an effective method for addressing label noise. However, the reasons for its effectiveness are not well understood. In this study, we investigate the role played by different properties of the PI in explaining away label noise. Through experiments on multiple datasets with real PI (CIFAR-N/H) and a new large-scale benchmark ImageNet-PI, we find that PI is most helpful when it allows networks to easily distinguish clean from noisy data, while enabling a learning shortcut to memorize the noisy examples. Interestingly, when PI becomes too predictive of the target label, PI methods often perform worse than their no-PI baselines. Based on these findings, we propose several enhancements to the state-of-the-art PI methods and demonstrate the potential of PI as a means of tackling label noise. Finally, we show how we can easily combine the resulting PI approaches with existing no-PI techniques designed to deal with label noise.
A Category-theoretical Meta-analysis of Definitions of Disentanglement
Authors: Yivan Zhang; Masashi Sugiyama
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Disentangling the factors of variation in data is a fundamental concept in machine learning and has been studied in various ways by different researchers, leading to a multitude of definitions. Despite the numerous empirical studies, more theoretical research is needed to fully understand the defining properties of disentanglement and how different definitions relate to each other. This paper presents a meta-analysis of existing definitions of disentanglement, using category theory as a unifying and rigorous framework. We propose that the concepts of the cartesian and monoidal products should serve as the core of disentanglement. With these core concepts, we show the similarities and crucial differences in dealing with (i) functions, (ii) equivariant maps, (iii) relations, and (iv) stochastic maps. Overall, our meta-analysis deepens our understanding of disentanglement and its various formulations and can help researchers navigate different definitions and choose the most appropriate one for their specific context.
Quantifying the Variability Collapse of Neural Networks
Authors: Jing Xu; Haoxiong Liu
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Recent studies empirically demonstrate the positive relationship between the transferability of neural networks and the in-class variation of the last layer features. The recently discovered Neural Collapse (NC) phenomenon provides a new perspective of understanding such last layer geometry of neural networks. In this paper, we propose a novel metric, named Variability Collapse Index (VCI), to quantify the variability collapse phenomenon in the NC paradigm. The VCI metric is well-motivated and intrinsically related to the linear probing loss on the last layer features. Moreover, it enjoys desired theoretical and empirical properties, including invariance under invertible linear transformations and numerical stability, that distinguishes it from previous metrics. Our experiments verify that VCI is indicative of the variability collapse and the transferability of pretrained neural networks.
Global optimality for Euclidean CCCP under Riemannian convexity
Authors: Melanie Weber; Suvrit Sra
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We study geodesically convex (g-convex) problems that can be written as a difference of Euclidean convex functions. This structure arises in key applications such as matrix scaling, M- estimators of scatter matrices, and Brascamp-Lieb inequalities. In particular, we exploit this structure to make use of the Convex-Concave Procedure (CCCP), which helps us bypass potentially expensive Riemannian operations and leads to very competitive solvers. Importantly, unlike existing theory for CCCP that ensures convergence to stationary points, we exploit the overall g-convexity structure and provide iteration complexity results for global optimality. We illustrate our results by specializing them to a few concrete optimization problems that have been previously studied in the machine learning literature. We hope our work spurs the study of mixed Euclidean-Riemannian optimization algorithms.
Reinforcement Learning Can Be More Efficient with Multiple Rewards
Authors: Christoph Dann; Yishay Mansour; Mehryar Mohri
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Reward design is one of the most critical and challenging aspects when formulating a task as a reinforcement learning (RL) problem. In practice, it often takes several attempts of reward specification and learning with it in order to find one that leads to sample-efficient learning of the desired behavior. Instead, in this work, we study whether directly incorporating multiple alternate reward formulations of the same task in a single agent can lead to faster learning. We analyze multi-reward extensions of action-elimination algorithms and prove more favorable instance-dependent regret bounds compared to their single-reward counterparts, both in multi-armed bandits and in tabular Markov decision processes. Our bounds scale for each state-action pair with the inverse of the largest gap among all reward functions. This suggests that learning with multiple rewards can indeed be more sample-efficient, as long as the rewards agree on an optimal policy. We further prove that when rewards do not agree, multi-reward action elimination in multi-armed bandits still learns a policy that is good across all reward functions.
Adversarial Learning of Distributional Reinforcement Learning
Authors: Yang Sui; Yukun Huang; Hongtu Zhu; Fan Zhou
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Reinforcement learning (RL) has made significant advancements in artificial intelligence. However, its real-world applications are limited due to differences between simulated environments and the actual world. Consequently, it is crucial to systematically analyze how each component of the RL system can affect the final model performance. In this study, we propose an adversarial learning framework for distributional reinforcement learning, which adopts the concept of influence measure from the statistics community. This framework enables us to detect performance loss caused by either the internal policy structure or the external state observation. The proposed influence measure is based on information geometry and has desirable properties of invariance. We demonstrate that the influence measure is useful for three diagnostic tasks: identifying fragile states in trajectories, determining the instability of the policy architecture, and pinpointing anomalously sensitive policy parameters.
Robust Explanation for Free or At the Cost of Faithfulness
Authors: Zeren Tan; Yang Tian
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Devoted to interpreting the explicit behaviors of machine learning models, explanation methods can identify implicit characteristics of models to improve trustworthiness. However, explanation methods are shown as vulnerable to adversarial perturbations, implying security concerns in high-stakes domains. In this paper, we investigate when robust explanations are necessary and what they cost. We prove that the robustness of explanations is determined by the robustness of the model to be explained. Therefore, we can have robust explanations for *free* for a robust model. To have robust explanations for a non-robust model, composing the original model with a kernel is proved as an effective way that returns strictly more robust explanations. Nevertheless, we argue that this also incurs a *robustness-faithfulness trade-off*, i.e., contrary to common expectations, an explanation method may also become less faithful when it becomes more robust. This argument holds for any model. We are the first to introduce this trade-off and theoretically prove its existence for SmoothGrad. Theoretical findings are verified by empirical evidence on six state-of-the-art explanation methods and four backbones.
Jump-Start Reinforcement Learning
Authors: Ikechukwu Uchendu; Ted Xiao; Yao Lu; Banghua Zhu; Mengyuan Yan; Joséphine Simon; Matthew Bennice; Chuyuan Fu; Cong Ma; Jiantao Jiao; Sergey Levine; Karol Hausman
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Reinforcement learning (RL) provides a theoretical framework for continuously improving an agent's behavior via trial and error. However, efficiently learning policies from scratch can be very difficult, particularly for tasks that present exploration challenges. In such settings, it might be desirable to initialize RL with an existing policy, offline data, or demonstrations. However, naively performing such initialization in RL often works poorly, especially for value-based methods. In this paper, we present a meta algorithm that can use offline data, demonstrations, or a pre-existing policy to initialize an RL policy, and is compatible with any RL approach. In particular, we propose Jump-Start Reinforcement Learning (JSRL), an algorithm that employs two policies to solve tasks: a guide-policy, and an exploration-policy. By using the guide-policy to form a curriculum of starting states for the exploration-policy, we are able to efficiently improve performance on a set of simulated robotic tasks. We show via experiments that it is able to significantly outperform existing imitation and reinforcement learning algorithms, particularly in the small-data regime. In addition, we provide an upper bound on the sample complexity of JSRL and show that with the help of a guide-policy, one can improve the sample complexity for non-optimism exploration methods from exponential in horizon to polynomial.
Recovery Bounds on Class-Based Optimal Transport: A Sum-of-Norms Regularization Framework
Authors: Arman Rahbar; Ashkan Panahi; Morteza Haghir Chehreghani; Devdatt Dubhashi; Hamid Krim
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We develop a novel theoretical framework for understating Optimal Transport (OT) schemes respecting a class structure. For this purpose, we propose a convex OT program with a sum-of-norms regularization term, which provably recovers the underlying class structure under geometric assumptions. Furthermore, we derive an accelerated proximal algorithm with a closed-form projection and proximal operator scheme, thereby affording a more scalable algorithm for computing optimal transport plans. We provide a novel argument for the uniqueness of the optimum even in the absence of strong convexity. Our experiments show that the new regularizer not only results in a better preservation of the class structure in the data but also yields additional robustness to the data geometry, compared to previous regularizers.
Multi-Task Off-Policy Learning from Bandit Feedback
Authors: Joey Hong; Branislav Kveton; Manzil Zaheer; Sumeet Katariya; Mohammad Ghavamzadeh
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Many practical problems involve solving similar tasks. In recommender systems, the tasks can be users with similar preferences; in search engines, the tasks can be items with similar affinities. To learn statistically efficiently, the tasks can be organized in a hierarchy, where the task affinity is captured using an unknown latent parameter. We study the problem of off-policy learning for similar tasks from logged bandit feedback. To solve the problem, we propose a hierarchical off-policy optimization algorithm HierOPO. The key idea is to estimate the task parameters using the hierarchy and then act pessimistically with respect to them. To analyze the algorithm, we develop novel Bayesian error bounds. Our bounds are the first in off-policy learning that improve with a more informative prior and capture statistical gains due to hierarchical models. Therefore, they are of a general interest. HierOPO also performs well in practice. Our experiments demonstrate the benefits of using the hierarchy over solving each task independently.
Towards Reliable Neural Specifications
Authors: Chuqin Geng; Nham Le; Xiaojie Xu; Zhaoyue Wang; Arie Gurfinkel; Xujie Si
Venue: ICML 2023 (ICML 2023 OralPoster)

Abstract: Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification. This form of specifications uses the intrinsic information of neural networks, specifically neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.
Learning Expressive Priors for Generalization and Uncertainty Estimation in Neural Networks
Authors: Dominik Schnaus; Jongseok Lee; Daniel Cremers; Rudolph Triebel
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: In this work, we propose a novel prior learning method for advancing generalization and uncertainty estimation in deep neural networks. The key idea is to exploit scalable and structured posteriors of neural networks as informative priors with generalization guarantees. Our learned priors provide expressive probabilistic representations at large scale, like Bayesian counterparts of pre-trained models on ImageNet, and further produce non-vacuous generalization bounds. We also extend this idea to a continual learning framework, where the favorable properties of our priors are desirable. Major enablers are our technical contributions: (1) the sums-of-Kronecker-product computations, and (2) the derivations and optimizations of tractable objectives that lead to improved generalization bounds. Empirically, we exhaustively show the effectiveness of this method for uncertainty estimation and generalization.