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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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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,…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Statistics Theory · Mathematics 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Populations and Evolution · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Econometrics · Economics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 2020-11-10 Botao Hao , Yaqi Duan , Tor Lattimore , Csaba Szepesvári , Mengdi Wang