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Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Reinforcement Learning (RL) traditionally relies on scalar reward signals, limiting its ability to leverage the rich semantic knowledge often available in real-world tasks. In contrast, humans learn efficiently by combining numerical…

The fine-tuning of deep pre-trained models has revealed compositional properties, with multiple specialized modules that can be arbitrarily composed into a single, multi-task model. However, identifying the conditions that promote…

Artificial Intelligence · Computer Science 2025-03-04 Angelo Porrello , Lorenzo Bonicelli , Pietro Buzzega , Monica Millunzi , Simone Calderara , Rita Cucchiara

We present a novel approach for training small language models for reasoning-intensive document ranking that combines knowledge distillation with reinforcement learning optimization. While existing methods often rely on expensive human…

Information Retrieval · Computer Science 2025-07-01 Chris Samarinas , Hamed Zamani

Model-based Bayesian reinforcement learning has generated significant interest in the AI community as it provides an elegant solution to the optimal exploration-exploitation tradeoff in classical reinforcement learning. Unfortunately, the…

Artificial Intelligence · Computer Science 2012-06-18 Stephane Ross , Joelle Pineau

Model-free reinforcement learning algorithms can compute policy gradients given sampled environment transitions, but require large amounts of data. In contrast, model-based methods can use the learned model to generate new data, but model…

Machine Learning · Computer Science 2022-03-04 Lukas P. Fröhlich , Maksym Lefarov , Melanie N. Zeilinger , Felix Berkenkamp

In the framework of solid mechanics, the task of deriving material parameters from experimental data has recently re-emerged with the progress in full-field measurement capabilities and the renewed advances of machine learning. In this…

Computational Engineering, Finance, and Science · Computer Science 2026-01-27 Ulrich Römer , Stefan Hartmann , Jendrik-Alexander Tröger , David Anton , Henning Wessels , Moritz Flaschel , Laura De Lorenzis

Model explainability is crucial for human users to be able to interpret how a proposed classifier assigns labels to data based on its feature values. We study generalized linear models constructed using sets of feature value rules, which…

Machine Learning · Statistics 2023-11-06 Sanjeeb Dash , Soumyadip Ghosh , Joao Goncalves , Mark S. Squillante

The inverse reinforcement learning approach to imitation learning is a double-edged sword. On the one hand, it can enable learning from a smaller number of expert demonstrations with more robustness to error compounding than behavioral…

Machine Learning · Computer Science 2024-06-06 Juntao Ren , Gokul Swamy , Zhiwei Steven Wu , J. Andrew Bagnell , Sanjiban Choudhury

Reinforcement learning (RL) is a central problem in artificial intelligence. This problem consists of defining artificial agents that can learn optimal behaviour by interacting with an environment -- where the optimal behaviour is defined…

We propose to use boosted regression trees as a way to compute human-interpretable solutions to reinforcement learning problems. Boosting combines several regression trees to improve their accuracy without significantly reducing their…

Machine Learning · Computer Science 2018-09-20 Alexander Brown , Marek Petrik

The options framework in reinforcement learning models the notion of a skill or a temporally extended sequence of actions. The discovery of a reusable set of skills has typically entailed building options, that navigate to bottleneck…

Machine Learning · Computer Science 2019-05-15 Rahul Ramesh , Manan Tomar , Balaraman Ravindran

Balancing exploration and exploitation remains a key challenge in reinforcement learning (RL). State-of-the-art RL algorithms suffer from high sample complexity, particularly in the sparse reward case, where they can do no better than to…

Machine Learning · Computer Science 2020-01-22 Philippe Morere , Gilad Francis , Tom Blau , Fabio Ramos

Model-based reinforcement learning is an appealing framework for creating agents that learn, plan, and act in sequential environments. Model-based algorithms typically involve learning a transition model that takes a state and an action and…

Machine Learning · Computer Science 2019-06-03 Kavosh Asadi , Dipendra Misra , Seungchan Kim , Michel L. Littman

Feature transformation aims to generate new pattern-discriminative feature space from original features to improve downstream machine learning (ML) task performances. However, the discrete search space for the optimal feature explosively…

Machine Learning · Computer Science 2023-09-26 Dongjie Wang , Meng Xiao , Min Wu , Pengfei Wang , Yuanchun Zhou , Yanjie Fu

We report a novel, computationally efficient approach for solving hard nonlinear problems of reinforcement learning (RL). Here we combine umbrella sampling, from computational physics/chemistry, with optimal control methods. The approach is…

Machine Learning · Computer Science 2025-02-28 Egor E. Nuzhin , Nikolai V. Brilliantov

From out-competing grandmasters in chess to informing high-stakes healthcare decisions, emerging methods from artificial intelligence are increasingly capable of making complex and strategic decisions in diverse, high-dimensional, and…

Computers and Society · Computer Science 2024-03-05 Melissa Chapman , Lily Xu , Marcus Lapeyrolerie , Carl Boettiger

Machine-learning methods are gradually being adopted in a wide variety of social, economic, and scientific contexts, yet they are notorious for struggling with exact mathematics. A typical example is computer algebra, which includes tasks…

Machine Learning · Computer Science 2024-11-06 Lennart Dabelow , Masahito Ueda

Datasets often incorporate various functional patterns related to different aspects or regimes, which are typically not equally present throughout the dataset. We propose a novel, general-purpose partitioning algorithm that utilizes…

Machine Learning · Computer Science 2025-12-02 Marius Tacke , Matthias Busch , Kevin Linka , Christian J. Cyron , Roland C. Aydin

Integrating causal inference (CI) with reinforcement learning (RL) has emerged as a powerful paradigm to address critical limitations in classical RL, including low explainability, lack of robustness and generalization failures. Traditional…

Artificial Intelligence · Computer Science 2025-12-23 Cristiano da Costa Cunha , Wei Liu , Tim French , Ajmal Mian