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Large language models (LLMs) are increasingly used in various domains, showing impressive potential on different tasks. Recently, reasoning LLMs have been proposed to improve the \textit{reasoning} or \textit{thinking} capabilities of LLMs…

Artificial Intelligence · Computer Science 2025-10-22 Jiahao Yu , Zelei Cheng , Xian Wu , Xinyu Xing

Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Machine Learning · Computer Science 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

Statistical power is a measure of the replicability of a categorical hypothesis test. Formally, it is the probability of detecting an effect, if there is a true effect present in the population. Hence, optimizing statistical power as a…

Computation · Statistics 2023-02-21 Abhishek K. Umrawal , Sean P. Lane , Erin P. Hennes

Conditional decision generation with diffusion models has shown powerful competitiveness in reinforcement learning (RL). Recent studies reveal the relation between energy-function-guidance diffusion models and constrained RL problems. The…

Machine Learning · Computer Science 2025-05-06 Jifeng Hu , Sili Huang , Zhejian Yang , Shengchao Hu , Li Shen , Hechang Chen , Lichao Sun , Yi Chang , Dacheng Tao

Humans face countless scenarios that require reasoning and judgment in daily life. However, existing large language model training methods primarily allow models to learn from existing textual content or solve predetermined problems,…

Artificial Intelligence · Computer Science 2026-01-27 Yin Cai , Zhouhong Gu , Juntao Zhang , Ping Chen

Conditional power calculations are frequently used to guide the decision whether or not to stop a trial for futility or to modify planned sample size. These ignore the information in short-term endpoints and baseline covariates, and thereby…

Methodology · Statistics 2019-04-11 Kelly Van Lancker , An Vandebosch , Stijn Vansteelandt

Offline reinforcement learning methods hold the promise of learning policies from pre-collected datasets without the need to query the environment for new transitions. This setting is particularly well-suited for continuous control robotic…

Machine Learning · Computer Science 2022-03-18 Xi Chen , Ali Ghadirzadeh , Tianhe Yu , Yuan Gao , Jianhao Wang , Wenzhe Li , Bin Liang , Chelsea Finn , Chongjie Zhang

Recently, preference optimization methods such as DPO have significantly enhanced large language models (LLMs) in wide tasks including dialogue and question-answering. However, current methods fail to account for the varying difficulty…

Computation and Language · Computer Science 2024-12-31 Jingyuan Ma , Rui Li , Zheng Li , Lei Sha , Zhifang Sui

Large Language Models (LLMs) suffer from order bias, where their performance is affected by the arrangement order of input elements. This unfairness limits the model's applications in scenarios such as in-context learning and…

Machine Learning · Computer Science 2026-05-13 Xu Chu , Guanyu Wang , Zhijie Tan , Xinrong Chen , Ziyu Li , Tong Mo , Weiping Li

Conventional Bayesian optimal experimental design seeks to maximize the expected information gain (EIG) on model parameters. However, the end goal of the experiment often is not to learn the model parameters, but to predict downstream…

Computation · Statistics 2024-08-20 Atlanta Chakraborty , Xun Huan , Tommie Catanach

Firms increasingly use randomized experiments to decide whether to scale up an intervention and, if so, how to re-optimize related operational choices such as inventory, capacity, or pricing. In many settings, experiments are performed on…

Methodology · Statistics 2026-03-12 Guoxing He , Dan Yang , Wei Zhang

Reinforcement learning (RL) has emerged as a powerful tool for fine-tuning large language models (LLMs) to improve complex reasoning abilities. However, state-of-the-art policy optimization methods often suffer from high computational…

Machine Learning · Computer Science 2025-05-28 Kianté Brantley , Mingyu Chen , Zhaolin Gao , Jason D. Lee , Wen Sun , Wenhao Zhan , Xuezhou Zhang

Adaptive subgroup enrichment design is an efficient design framework that allows accelerated development for investigational treatments while also having flexibility in population selection within the course of the trial. The adaptive…

Methodology · Statistics 2022-10-21 Liwen Wu , Qing Li , Mengya Liu , Jianchang Lin

Better forecasts may not lead to better decision-making. To address this challenge, decision-oriented learning (DOL) has been proposed as a new branch of machine learning that replaces traditional statistical loss with a decision loss to…

Systems and Control · Electrical Eng. & Systems 2024-04-09 Ran Li , Haipeng Zhang , Mingyang Sun , Fei Teng , Can Wan , Salvador Pineda , Georges Kariniotakis

Reinforcement learning (RL) has emerged as an effective approach for enhancing the reasoning capabilities of large language models (LLMs), especially in scenarios where supervised fine-tuning (SFT) falls short due to limited…

Machine Learning · Computer Science 2026-04-15 Jian Xiong , Jingbo Zhou , Jingyong Ye , Qiang Huang , Dejing Dou

Effective training-time guidance is central to multi-agent reinforcement learning (MARL), yet remains difficult in sparse-reward settings where weak supervision limits coordination and policy improvement, and existing methods often require…

Multiagent Systems · Computer Science 2026-05-29 Xiaoguang Wu , Zhi Zheng , Hui Xiong

Despite its promise, imitation learning often fails in long-horizon environments where perfect replication of demonstrations is unrealistic and small errors can accumulate catastrophically. We introduce Cago (Capability-Aware Goal…

Artificial Intelligence · Computer Science 2026-01-14 Yuanlin Duan , Yuning Wang , Wenjie Qiu , He Zhu

Adapting the final sample size of a trial to the evidence accruing during the trial is a natural way to address planning uncertainty. Designs with adaptive sample size need to account for their optional stopping to guarantee strict type-I…

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on…

Optimization and Control · Mathematics 2021-07-05 Tianlong Chen , Xiaohan Chen , Wuyang Chen , Howard Heaton , Jialin Liu , Zhangyang Wang , Wotao Yin

Model-based reinforcement learning approaches carry the promise of being data efficient. However, due to challenges in learning dynamics models that sufficiently match the real-world dynamics, they struggle to achieve the same asymptotic…

Machine Learning · Computer Science 2018-09-17 Ignasi Clavera , Jonas Rothfuss , John Schulman , Yasuhiro Fujita , Tamim Asfour , Pieter Abbeel