GenAI4ELab/papercli-papers huggingface dataset:
Revisiting the Linear-Programming  Framework for Offline RL with General Function Approximation
Authors: Asuman E. Ozdaglar; Sarath Pattathil; Jiawei Zhang; Kaiqing Zhang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Offline reinforcement learning (RL) aims to find an optimal policy for sequential decision-making using a pre-collected dataset, without further interaction with the environment. Recent theoretical progress has focused on developing sample-efficient offline RL algorithms with various relaxed assumptions on data coverage and function approximators, especially to handle the case with excessively large state-action spaces. Among them, the framework based on the linear-programming (LP) reformulation of Markov decision processes has shown promise: it enables sample-efficient offline RL with function approximation, under only partial data coverage and realizability assumptions on the function classes, with favorable computational tractability. In this work, we revisit the LP framework for offline RL, and provide a new reformulation that advances the existing results in several aspects, relaxing certain assumptions and achieving optimal statistical rates in terms of sample size. Our key enabler is to introduce proper constraints in the reformulation, instead of using any regularization as in the literature, also with careful choices of the function classes and initial state distributions. We hope our insights bring into light the use of LP formulations and the induced primal-dual minimax optimization, in offline RL.
Sampling-Based Accuracy Testing of Posterior Estimators for General Inference
Authors: Pablo Lemos; Adam Coogan; Yashar Hezaveh; Laurence Perreault-Levasseur
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Posterior inference with generative models is an alternative to methods such as Markov Chain Monte Carlo, both for likelihood-based and simulation-based inference. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce "Tests of Accuracy with Random Points" (TARP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is accurate. We demonstrate the method on a variety of synthetic examples, and show that TARP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect inaccurate inferences in cases where existing methods fail.
Monotonicity and Double Descent in Uncertainty Estimation with Gaussian Processes
Authors: Liam Hodgkinson; Chris van der Heide; Fred Roosta; Michael W. Mahoney
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Despite their importance for assessing reliability of predictions, uncertainty quantification (UQ) measures in machine learning models have only recently begun to be rigorously characterized. One prominent issue is the *curse of dimensionality*: it is commonly believed that the marginal likelihood should be reminiscent of cross-validation metrics and both should deteriorate with larger input dimensions. However, we prove that by tuning hyperparameters to maximize marginal likelihood (the empirical Bayes procedure), performance, as measured by the marginal likelihood, *improves monotonically* with the input dimension. On the other hand, cross-validation metrics exhibit qualitatively different behavior that is characteristic of double descent. Cold posteriors, which have recently attracted interest due to their improved performance in certain settings, appear to exacerbate these phenomena. We verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.
Statistical Foundations of Prior-Data Fitted Networks
Authors: Thomas Nagler
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.
QASA: Advanced Question Answering on Scientific Articles
Authors: Yoonjoo Lee; Kyungjae Lee; Sunghyun Park; Dasol Hwang; Jaehyeon Kim; Hong-in Lee; Moontae Lee
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Reasoning is the crux of intellectual thinking. While question answering (QA) tasks are prolific with various computational models and benchmark datasets, they mostly tackle factoid or shallow QA without asking deeper understanding. Dual process theory asserts that human reasoning consists of associative thinking to collect relevant pieces of knowledge and logical reasoning to consciously conclude grounding on evidential rationale. Based on our intensive think-aloud study that revealed the three types of questions: surface, testing, and deep questions, we first propose the QASA benchmark that consists of 1798 novel question answering pairs that require full-stack reasoning on scientific articles in AI and ML fields. Then we propose the QASA approach that tackles the full-stack reasoning with large language models via associative selection, evidential rationale-generation, and systematic composition. Our experimental results show that QASA's full-stack inference outperforms the state-of-the-art InstructGPT by a big margin. We also find that rationale-generation is critical for the performance gain, claiming how we should rethink advanced question answering. The dataset is available at https://github.com/lgresearch/QASA.
Do Perceptually Aligned Gradients Imply Robustness?
Authors: Roy Ganz; Bahjat Kawar; Michael Elad
Venue: ICML 2023 (ICML 2023 OralPoster)

Abstract: Adversarially robust classifiers possess a trait that non-robust models do not - Perceptually Aligned Gradients (PAG). Their gradients with respect to the input align well with human perception. Several works have identified PAG as a byproduct of robust training, but none have considered it as a standalone phenomenon nor studied its own implications. In this work, we focus on this trait and test whether Perceptually Aligned Gradients imply Robustness. To this end, we develop a novel objective to directly promote PAG in training classifiers and examine whether models with such gradients are more robust to adversarial attacks. Extensive experiments on multiple datasets and architectures validate that models with aligned gradients exhibit significant robustness, exposing the surprising bidirectional connection between PAG and robustness. Lastly, we show that better gradient alignment leads to increased robustness and harness this observation to boost the robustness of existing adversarial training techniques.
Anti-Exploration by Random Network Distillation
Authors: Alexander Nikulin; Vladislav Kurenkov; Denis Tarasov; Sergey Kolesnikov
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Despite the success of Random Network Distillation (RND) in various domains, it was shown as not discriminative enough to be used as an uncertainty estimator for penalizing out-of-distribution actions in offline reinforcement learning. In this paper, we revisit these results and show that, with a naive choice of conditioning for the RND prior, it becomes infeasible for the actor to effectively minimize the anti-exploration bonus and discriminativity is not an issue. We show that this limitation can be avoided with conditioning based on Feature-wise Linear Modulation (FiLM), resulting in a simple and efficient ensemble-free algorithm based on Soft Actor-Critic. We evaluate it on the D4RL benchmark, showing that it is capable of achieving performance comparable to ensemble-based methods and outperforming ensemble-free approaches by a wide margin.
Truncating Trajectories in Monte Carlo Reinforcement Learning
Authors: Riccardo Poiani; Alberto Maria Metelli; Marcello Restelli
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: In Reinforcement Learning (RL), an agent acts in an unknown environment to maximize the expected cumulative discounted sum of an external reward signal, i.e., the expected return. In practice, in many tasks of interest, such as policy optimization, the agent usually spends its interaction budget by collecting episodes of *fixed length* within a simulator (i.e., Monte Carlo simulation). However, given the discounted nature of the RL objective, this data collection strategy might not be the best option. Indeed, the rewards taken in early simulation steps weigh exponentially more than future rewards. Taking a cue from this intuition, in this paper, we design an a-priori budget allocation strategy that leads to the collection of trajectories of different lengths, i.e., *truncated*. The proposed approach provably minimizes the width of the confidence intervals around the empirical estimates of the expected return of a policy. After discussing the theoretical properties of our method, we make use of our trajectory truncation mechanism to extend Policy Optimization via Importance Sampling (POIS, Metelli et al., 2018) algorithm. Finally, we conduct a numerical comparison between our algorithm and POIS: the results are consistent with our theory and show that an appropriate truncation of the trajectories can succeed in improving performance.
Fast, Differentiable and Sparse Top-k: a Convex Analysis Perspective
Authors: Michael Eli Sander; Joan Puigcerver; Josip Djolonga; Gabriel Peyré; Mathieu Blondel
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: The top-$k$ operator returns a $k$-sparse vector, where the non-zero values correspond to the $k$ largest values of the input. Unfortunately, because it is a discontinuous function, it is difficult to incorporate in neural networks trained end-to-end with backpropagation. Recent works have considered differentiable relaxations, based either on regularization or perturbation techniques. However, to date, no approach is fully differentiable and sparse. In this paper, we propose new differentiable and sparse top-$k$ operators. We view the top-$k$ operator as a linear program over the permutahedron, the convex hull of permutations. We then introduce a $p$-norm regularization term to smooth out the operator, and show that its computation can be reduced to isotonic optimization. Our framework is significantly more general than the existing one and allows for example to express top-$k$ operators that select values in magnitude. On the algorithmic side, in addition to pool adjacent violator (PAV) algorithms, we propose a new GPU/TPU-friendly Dykstra algorithm to solve isotonic optimization problems. We successfully use our operators to prune weights in neural networks, to fine-tune vision transformers, and as a router in sparse mixture of experts.
Certified Robust Neural Networks: Generalization and Corruption Resistance
Authors: Mohammed Amine Bennouna; Ryan Lucas; Bart Van Parys
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Recent work have demonstrated that robustness (to "corruption") can be at odds with generalization. Adversarial training, for instance, aims to reduce the problematic susceptibility of modern neural networks to small data perturbations. Surprisingly, overfitting is a major concern in adversarial training despite being mostly absent in standard training. We provide here theoretical evidence for this peculiar ``robust overfitting'' phenomenon. Subsequently, we advance a novel distributionally robust loss function bridging robustness and generalization. We demonstrate both theoretically as well as empirically the loss to enjoy a certified level of robustness against two common types of corruption|data evasion and poisoning attacks|while ensuring guaranteed generalization. We show through careful numerical experiments that our resulting holistic robust (HR) training procedure yields SOTA performance. Finally, we indicate that HR training can be interpreted as a direct extension of adversarial training and comes with a negligible additional computational burden. A ready-to-use python library implementing our algorithm is available at https://github.com/RyanLucas3/HR_Neural_Networks.
NNSplitter: An Active Defense Solution for DNN Model via Automated Weight Obfuscation
Authors: Tong Zhou; Yukui Luo; Shaolei Ren; Xiaolin Xu
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: As a type of valuable intellectual property (IP), deep neural network (DNN) models have been protected by techniques like watermarking. However, such passive model protection cannot fully prevent model abuse. In this work, we propose an active model IP protection scheme, namely NNSplitter, which actively protects the model by splitting it into two parts: the obfuscated model that performs poorly due to weight obfuscation, and the model secrets consisting of the indexes and original values of the obfuscated weights, which can only be accessed by authorized users with the support of the trusted execution environment. Experimental results demonstrate the effectiveness of NNSplitter, e.g., by only modifying 275 out of over 11 million (i.e., 0.002%) weights, the accuracy of the obfuscated ResNet-18 model on CIFAR-10 can drop to 10%. Moreover, NNSplitter is stealthy and resilient against norm clipping and fine-tuning attacks, making it an appealing solution for DNN model protection. The code is available at: https://github.com/Tongzhou0101/NNSplitter.
FP-Diffusion: Improving Score-based Diffusion Models by Enforcing the Underlying Score Fokker-Planck Equation
Authors: Chieh-Hsin Lai; Yuhta Takida; Naoki Murata; Toshimitsu Uesaka; Yuki Mitsufuji; Stefano Ermon
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Score-based generative models (SGMs) learn a family of noise-conditional score functions corresponding to the data density perturbed with increasingly large amounts of noise. These perturbed data densities are linked together by the Fokker-Planck equation (FPE), a partial differential equation (PDE) governing the spatial-temporal evolution of a density undergoing a diffusion process. In this work, we derive a corresponding equation called the score FPE that characterizes the noise-conditional scores of the perturbed data densities (i.e., their gradients). Surprisingly, despite the impressive empirical performance, we observe that scores learned through denoising score matching (DSM) fail to fulfill the underlying score FPE, which is an inherent self-consistency property of the ground truth score. We prove that satisfying the score FPE is desirable as it improves the likelihood and the degree of conservativity. Hence, we propose to regularize the DSM objective to enforce satisfaction of the score FPE, and we show the effectiveness of this approach across various datasets.
Data Poisoning Attacks Against Multimodal Encoders
Authors: Ziqing Yang; Xinlei He; Zheng Li; Michael Backes; Mathias Humbert; Pascal Berrang; Yang Zhang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Recently, the newly emerged multimodal models, which leverage both visual and linguistic modalities to train powerful encoders, have gained increasing attention. However, learning from a large-scale unlabeled dataset also exposes the model to the risk of potential poisoning attacks, whereby the adversary aims to perturb the model's training data to trigger malicious behaviors in it. In contrast to previous work, only poisoning visual modality, in this work, we take the first step to studying poisoning attacks against multimodal models in both visual and linguistic modalities. Specially, we focus on answering two questions: (1) Is the linguistic modality also vulnerable to poisoning attacks? and (2) Which modality is most vulnerable? To answer the two questions, we propose three types of poisoning attacks against multimodal models. Extensive evaluations on different datasets and model architectures show that all three attacks can achieve significant attack performance while maintaining model utility in both visual and linguistic modalities. Furthermore, we observe that the poisoning effect differs between different modalities. To mitigate the attacks, we propose both pre-training and post-training defenses. We empirically show that both defenses can significantly reduce the attack performance while preserving the model's utility. Our code is available at https://github.com/zqypku/mm_poison/.
Kernel Sufficient Dimension Reduction and Variable Selection for Compositional Data via Amalgamation
Authors: Junyoung Park; Jeongyoun Ahn; Cheolwoo Park
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Compositional data with a large number of components and an abundance of zeros are frequently observed in many fields recently. Analyzing such sparse high-dimensional compositional data naturally calls for dimension reduction or, more preferably, variable selection. Most existing approaches lack interpretability or cannot handle zeros properly, as they rely on a log-ratio transformation. We approach this problem with sufficient dimension reduction (SDR), one of the most studied dimension reduction frameworks in statistics. Characterized by the conditional independence of the data to the response on the found subspace, the SDR framework has been effective for both linear and nonlinear dimension reduction problems. This work proposes a compositional SDR that can handle zeros naturally while incorporating the nonlinear nature and spurious negative correlations among components rigorously. A critical consideration of sub-composition versus amalgamation for compositional variable selection is discussed. The proposed compositional SDR is shown to be statistically consistent in constructing a sub-simplex consisting of true signal variables. Simulation and real microbiome data are used to demonstrate the performance of the proposed SDR compared to existing state-of-art approaches.
Team Belief DAG: Generalizing the Sequence Form to Team Games for Fast Computation of Correlated Team Max-Min Equilibria via Regret Minimization
Authors: Brian Hu Zhang; Gabriele Farina; Tuomas Sandholm
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: A classic result in the theory of extensive-form games asserts that the set of strategies available to any perfect-recall player is strategically equivalent to a low-dimensional convex polytope, called the *sequence-form polytope*. Online convex optimization tools operating on this polytope are the current state-of-the-art for computing several notions of equilibria in games, and have been crucial in landmark applications of computational game theory. However, when optimizing over the *joint* strategy space of a *team* of players, one cannot use the sequence form to obtain a strategically-equivalent convex description of the strategy set of the team. In this paper, we provide new complexity results on the computation of optimal strategies for teams, and propose a new representation, coined *team belief DAG (TB-DAG)*, that describes team strategies as a convex set. The TB-DAG enjoys state-of-the-art parameterized complexity bounds, while at the same time enjoying the advantages of efficient regret minimization techniques. We show that TB-DAG can be exponentially smaller and can be computed exponentially faster than all other known representations, and that the converse is never true. Experimentally, we show that the TB-DAG, when paired with learning techniques, yields state of the art on a wide variety of benchmark team games.
A theory of representation learning gives a deep generalisation of kernel methods
Authors: Adam X. Yang; Maxime Robeyns; Edward Milsom; Ben Anson; Nandi Schoots; Laurence Aitchison
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.
MANSA: Learning Fast and Slow in Multi-Agent Systems
Authors: David Henry Mguni; Haojun Chen; Taher Jafferjee; Jianhong Wang; Longfei Yue; Xidong Feng; Stephen Marcus McAleer; Feifei Tong; Jun Wang; Yaodong Yang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: In multi-agent reinforcement learning (MARL), independent learning (IL) often shows remarkable performance and easily scales with the number of agents. Yet, using IL can be inefficient and runs the risk of failing to successfully train, particularly in scenarios that require agents to coordinate their actions. Using centralised learning (CL) enables MARL agents to quickly learn how to coordinate their behaviour but employing CL everywhere is often prohibitively expensive in real-world applications. Besides, using CL in value-based methods often needs strong representational constraints (e.g. individual-global-max condition) that can lead to poor performance if violated. In this paper, we introduce a novel plug & play IL framework named Multi-Agent Network Selection Algorithm (MANSA) which selectively employs CL only at states that require coordination. At its core, MANSA has an additional agent that uses switching controls to quickly learn the best states to activate CL during training, using CL only where necessary and vastly reducing the computational burden of CL. Our theory proves MANSA preserves cooperative MARL convergence properties, boosts IL performance and can optimally make use of a fixed budget on the number CL calls. We show empirically in Level-based Foraging (LBF) and StarCraft Multi-agent Challenge (SMAC) that MANSA achieves fast, superior and more reliable performance while making 40% fewer CL calls in SMAC and using CL at only 1% CL calls in LBF.