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In silico screening uses predictive models to select a batch of compounds with favorable properties from a library for experimental validation. Unlike conventional learning paradigms, success in this context is measured by the performance…

机器学习 · 统计学 2024-07-24 Andreas Loukas , Pan Kessel , Vladimir Gligorijevic , Richard Bonneau

This paper presents a novel information-theoretic perspective on generalization in machine learning by framing the learning problem within the context of lossy compression and applying finite blocklength analysis. In our approach, the…

机器学习 · 计算机科学 2026-02-05 Kosuke Sugiyama , Masato Uchida

We present a new family of information-theoretic generalization bounds, in which the training loss and the population loss are compared through a jointly convex function. This function is upper-bounded in terms of the disintegrated,…

机器学习 · 计算机科学 2023-03-28 Fredrik Hellström , Giuseppe Durisi

Learning theory has traditionally followed a model-centric approach, focusing on designing optimal algorithms for a fixed natural learning task (e.g., linear classification or regression). In this paper, we adopt a complementary…

机器学习 · 计算机科学 2025-04-29 Steve Hanneke , Shay Moran , Alexander Shlimovich , Amir Yehudayoff

Learning rate schedule can significantly affect generalization performance in modern neural networks, but the reasons for this are not yet understood. Li-Wei-Ma (2019) recently proved this behavior can exist in a simplified non-convex…

机器学习 · 计算机科学 2020-05-18 Preetum Nakkiran

Learning under one-sided feedback (i.e., where we only observe the labels for examples we predicted positively on) is a fundamental problem in machine learning -- applications include lending and recommendation systems. Despite this, there…

机器学习 · 计算机科学 2020-10-14 Heinrich Jiang , Qijia Jiang , Aldo Pacchiano

The beneficial effects of treatments vary across individuals in most studies. Treatment heterogeneity motivates practitioners to search for the optimal policy based on personal characteristics. A long-standing common practice in policy…

统计理论 · 数学 2025-01-06 Xuqiao Li , Ying Yan

In this work, we propose to progressively increase the training difficulty during learning a neural network model via a novel strategy which we call mini-batch trimming. This strategy makes sure that the optimizer puts its focus in the…

计算机视觉与模式识别 · 计算机科学 2021-10-26 Hannes Fassold

It is well known that the historical logs are used for evaluating and learning policies in interactive systems, e.g. recommendation, search, and online advertising. Since direct online policy learning usually harms user experiences, it is…

机器学习 · 统计学 2019-08-06 Li He , Long Xia , Wei Zeng , Zhi-Ming Ma , Yihong Zhao , Dawei Yin

We study the sample complexity of stochastic convex optimization when problem parameters, e.g., the distance to optimality, are unknown. We pursue two strategies. First, we develop a reliable model selection method that avoids overfitting…

机器学习 · 计算机科学 2025-06-16 Jared Lawrence , Ari Kalinsky , Hannah Bradfield , Yair Carmon , Oliver Hinder

Designing effective model-based reinforcement learning algorithms is difficult because the ease of data generation must be weighed against the bias of model-generated data. In this paper, we study the role of model usage in policy…

机器学习 · 计算机科学 2021-11-30 Michael Janner , Justin Fu , Marvin Zhang , Sergey Levine

Evolutionary systems must learn to generalize, often extrapolating from a limited set of selective conditions to anticipate future environmental changes. The mechanisms enabling such generalization remain poorly understood, despite their…

种群与进化 · 定量生物学 2025-10-29 Federica Ferretti , Mehran Kardar , Arvind Murugan

In many real-world scenarios where data is high dimensional, test time acquisition of features is a non-trivial task due to costs associated with feature acquisition and evaluating feature value. The need for highly confident models with an…

机器学习 · 计算机科学 2019-09-17 Orpaz Goldstein , Mohammad Kachuee , Kimmo Karkkainen , Majid Sarrafzadeh

Despite remarkable success in a variety of applications, it is well-known that deep learning can fail catastrophically when presented with out-of-distribution data. Toward addressing this challenge, we consider the domain generalization…

机器学习 · 统计学 2021-11-16 Alexander Robey , George J. Pappas , Hamed Hassani

Empirical research shows that individuals' responses to treatments vary along latent characteristics, such as innate ability or motivation. Therefore, a policymaker seeking to maximize welfare may consider designing policies based on…

计量经济学 · 经济学 2026-05-06 Giacomo Opocher

The goal of machine learning is to find models that minimize prediction error on data that has not yet been seen. Its operational paradigm assumes access to a dataset $S$ and articulates a scheme for evaluating how well a given model…

机器学习 · 计算机科学 2026-04-22 Maxim Raginsky , Benjamin Recht

This paper provides a theoretical analysis of a new learning problem for recommender systems where users provide feedback by comparing pairs of items instead of rating them individually. We assume that comparisons stem from latent user and…

机器学习 · 计算机科学 2025-08-20 Suryanarayana Sankagiri , Jalal Etesami , Matthias Grossglauser

Algorithmic decision-making in practice must be fair for legal, ethical, and societal reasons. To achieve this, prior research has contributed various approaches that ensure fairness in machine learning predictions, while comparatively…

机器学习 · 计算机科学 2023-10-10 Dennis Frauen , Valentyn Melnychuk , Stefan Feuerriegel

Large scale reinforcement learning has become a central tool for improving reasoning in large language models. At this scale, generation is often lagged or asynchronous, so updates are performed on data collected by older policies. This…

机器学习 · 计算机科学 2026-05-28 Otmane Sakhi , Aleksei Arzhantsev , Imad Aouali , Flavian Vasile

This paper provides a statistical analysis of high-dimensional batch Reinforcement Learning (RL) using sparse linear function approximation. When there is a large number of candidate features, our result sheds light on the fact that…

机器学习 · 计算机科学 2020-11-10 Botao Hao , Yaqi Duan , Tor Lattimore , Csaba Szepesvári , Mengdi Wang