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In drug discovery, molecular optimization aims to iteratively refine a lead compound to improve molecular properties while preserving structural similarity to the original molecule. However, each oracle evaluation is expensive, making…

Machine Learning · Computer Science 2026-04-15 Ziqing Wang , Yibo Wen , Abhishek Pandy , Han Liu , Kaize Ding

Large language models (LLMs) are still struggling in aligning with human preference in complex tasks and scenarios. They are prone to overfit into the unexpected patterns or superficial styles in the training data. We conduct an empirical…

Computation and Language · Computer Science 2024-10-04 Zhipeng Chen , Kun Zhou , Wayne Xin Zhao , Jingyuan Wang , Ji-Rong Wen

Reinforcement learning (RL) marks a fundamental shift in how artificial intelligence is applied in healthcare. Instead of merely predicting outcomes, RL actively decides interventions with long term goals. Unlike traditional models that…

Machine Learning · Computer Science 2025-09-01 Dilruk Perera , Gousia Habib , Qianyi Xu , Daniel J. Tan , Kai He , Erik Cambria , Mengling Feng

Due to their adaptability and mobility, Unmanned Aerial Vehicles (UAVs) are becoming increasingly essential for wireless network services, particularly for data harvesting tasks. In this context, Artificial Intelligence (AI)-based…

Machine Learning · Computer Science 2026-01-21 Babacar Toure , Dimitrios Tsilimantos , Omid Esrafilian , Marios Kountouris

In the treatment of ovarian cancer, precise residual disease prediction is significant for clinical and surgical decision-making. However, traditional methods are either invasive (e.g., laparoscopy) or time-consuming (e.g., manual…

Image and Video Processing · Electrical Eng. & Systems 2023-06-27 Xiangneng Gao , Shulan Ruan , Jun Shi , Guoqing Hu , Wei Wei

The growing availability of large health databases has expanded the use of observational studies for comparative effectiveness research. Unlike randomized trials, observational studies must adjust for systematic differences in patient…

Methodology · Statistics 2026-01-21 Haidong Lu , Fan Li , Laine E. Thomas , Fan Li

We develop a novel multi-objective reinforcement learning (MORL) framework to jointly optimize wireless network selection and autonomous driving policies in a multi-band vehicular network operating on conventional sub-6GHz spectrum and…

Machine Learning · Computer Science 2025-06-17 Zijiang Yan , Hina Tabassum

We propose a reinforcement learning (RL) scheme for feedback quantum control within the quan-tum approximate optimization algorithm (QAOA). QAOA requires a variational minimization for states constructed by applying a sequence of unitary…

Quantum Physics · Physics 2020-09-23 Matteo M. Wauters , Emanuele Panizon , Glen B. Mbeng , Giuseppe E. Santoro

In high-dimensional model selection problems, penalized simple least-square approaches have been extensively used. This paper addresses the question of both robustness and efficiency of penalized model selection methods, and proposes a…

Methodology · Statistics 2011-07-06 Jelena Bradic , Jianqing Fan , Weiwei Wang

Pool-based active learning (AL) is a promising technology for increasing data-efficiency of machine learning models. However, surveys show that performance of recent AL methods is very sensitive to the choice of dataset and training…

Machine Learning · Computer Science 2023-09-12 Tim Bakker , Herke van Hoof , Max Welling

Learning a good representation is a crucial challenge for Reinforcement Learning (RL) agents. Self-predictive learning provides means to jointly learn a latent representation and dynamics model by bootstrapping from future latent…

With the increasing penetration of distributed energy resources, distributed optimization algorithms have attracted significant attention for power systems applications due to their potential for superior scalability, privacy, and…

Systems and Control · Electrical Eng. & Systems 2022-05-09 Sihan Zeng , Alyssa Kody , Youngdae Kim , Kibaek Kim , Daniel K. Molzahn

We study the problem of online learning (OL) from revealed preferences: a learner wishes to learn a non-strategic agent's private utility function through observing the agent's utility-maximizing actions in a changing environment. We adopt…

Optimization and Control · Mathematics 2021-06-07 Violet Xinying Chen , Fatma Kılınç-Karzan

The log transformation is widely used in linear regression, mainly because coefficients are interpretable as proportional effects. Yet this practice has fundamental limitations, most notably that the log is undefined at zero, creating an…

Econometrics · Economics 2025-09-22 David Benatia , Christophe Bellégo , Louis Pape

We present a novel approach to automate and optimize anisotropic p-adaptation in high-order h/p solvers using Reinforcement Learning (RL). The dynamic RL adaptation uses the evolving solution to adjust the high-order polynomials. We develop…

Offline reinforcement learning requires reconciling two conflicting aims: learning a policy that improves over the behavior policy that collected the dataset, while at the same time minimizing the deviation from the behavior policy so as to…

Machine Learning · Computer Science 2021-10-13 Ilya Kostrikov , Ashvin Nair , Sergey Levine

Conditional effects are commonly used measures for understanding how treatment effects vary across different groups, and are often used to target treatments/interventions to groups who benefit most. In this work we review existing methods…

Machine Learning · Statistics 2026-04-14 Jiacheng Ge , Iván Díaz

Dynamic treatment regimes (DTRs) are sequences of decision rules designed to tailor treatment based on patients' treatment history and evolving disease status. Ordinal outcomes frequently serve as primary endpoints in clinical trials and…

Methodology · Statistics 2025-03-11 Xinru Wang , Tanujit Chakraborty , Bibhas Chakraborty

The deployment of autonomous AI agents in derivatives markets has widened a practical gap between static model calibration and realized hedging outcomes. We introduce two reinforcement learning frameworks, a novel Replication Learning of…

Artificial Intelligence · Computer Science 2026-03-10 Minxuan Hu , Ziheng Chen , Jiayu Yi , Wenxi Sun

Human drivers exhibit individual preferences regarding driving style. Adapting autonomous vehicles to these preferences is essential for user trust and satisfaction. However, existing end-to-end driving approaches often rely on predefined…

Robotics · Computer Science 2025-07-21 Hendrik Surmann , Jorge de Heuvel , Maren Bennewitz