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RBM-MPC is a computationally efficient variant of Model Predictive Control (MPC) in which the Random Batch Method (RBM) is used to speed up the finite-horizon optimal control problems at each iteration. In this paper, stability and…

最优化与控制 · 数学 2024-03-08 Daniël Veldman , Alexandra Borkowski , Enrique Zuazua

Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner.…

机器学习 · 计算机科学 2024-06-05 Songtao Liu , Hanjun Dai , Yue Zhao , Peng Liu

Regulatory networks (RNs) are a well-accepted modelling formalism in computational systems biology. The control of RNs is currently receiving a lot of attention because it provides a computational basis for cell reprogramming -- an…

系统与控制 · 电气工程与系统科学 2022-03-01 Luboš Brim , Samuel Pastva , David Šafránek , Eva Šmijáková

In medical, social, and behavioral research we often encounter datasets with a multilevel structure and multiple correlated dependent variables. These data are frequently collected from a study population that distinguishes several…

统计方法学 · 统计学 2023-12-18 Xynthia Kavelaars , Joris Mulder , Maurits Kaptein

Resolving the exploration-exploitation trade-off remains a fundamental problem in the design and implementation of reinforcement learning (RL) algorithms. In this paper, we focus on model-free RL using the epsilon-greedy exploration policy,…

机器学习 · 计算机科学 2020-07-03 Michael Gimelfarb , Scott Sanner , Chi-Guhn Lee

The applicability of reinforcement learning (RL) algorithms in real-world domains often requires adherence to safety constraints, a need difficult to address given the asymptotic nature of the classic RL optimization objective. In contrast…

机器学习 · 计算机科学 2021-04-15 Moritz A. Zanger , Karam Daaboul , J. Marius Zöllner

Motivated by many application problems, we consider Markov decision processes (MDPs) with a general loss function and unknown parameters. To mitigate the epistemic uncertainty associated with unknown parameters, we take a Bayesian approach…

机器学习 · 计算机科学 2025-10-02 Xiaoshuang Wang , Yifan Lin , Enlu Zhou

We consider the problem of controlling an unknown stochastic linear system with quadratic costs - called the adaptive LQ control problem. We re-examine an approach called ''Reward Biased Maximum Likelihood Estimate'' (RBMLE) that was…

最优化与控制 · 数学 2023-03-27 Akshay Mete , Rahul Singh , P. R. Kumar

Self-driving laboratories (SDLs) are combining recent technological advances in robotics, automation, and machine learning based data analysis and decision-making to perform autonomous experimentation toward human-directed goals without…

机器学习 · 计算机科学 2025-12-18 Luca Torresi , Pascal Friederich

Optimal control in non-stationary Markov decision processes (MDP) is a challenging problem. The aim in such a control problem is to maximize the long-term discounted reward when the transition dynamics or the reward function can change over…

应用统计 · 统计学 2017-03-03 Taposh Banerjee , Miao Liu , Jonathan P. How

Our goal is to compute a policy that guarantees improved return over a baseline policy even when the available MDP model is inaccurate. The inaccurate model may be constructed, for example, by system identification techniques when the true…

最优化与控制 · 数学 2015-06-17 Yinlam Chow , Marek Petrik , Mohammad Ghavamzadeh

Inspired by Shapiro et al.~\cite{shapiro2023episodic}, we consider a stochastic optimal control (SOC) and Markov decision process (MDP) where the risks arising from epistemic and aleatoric uncertainties are assessed using Bayesian composite…

最优化与控制 · 数学 2025-09-01 Wentao Ma , Zhiping Chen , Huifu Xu

Molecular profiling data (e.g., gene expression) has been used for clinical risk prediction and biomarker discovery. However, it is necessary to integrate other prior knowledge like biological pathways or gene interaction networks to…

基因组学 · 定量生物学 2016-09-22 Wenwen Min , Juan Liu , Shihua Zhang

Advances in data collecting technologies in genomics have significantly increased the need for tools designed to study the genetic basis of many diseases. Effective statistical methods should excel in both prediction accuracy and biomarker…

统计方法学 · 统计学 2025-11-13 Anthony-Alexander Christidis , Stefan Van Aelst , Ruben Zamar

By planning through a learned dynamics model, model-based reinforcement learning (MBRL) offers the prospect of good performance with little environment interaction. However, it is common in practice for the learned model to be inaccurate,…

机器学习 · 计算机科学 2021-03-31 Behzad Haghgoo , Allan Zhou , Archit Sharma , Chelsea Finn

Bayesian optimization (BO) has become an indispensable tool for autonomous decision-making across diverse applications from autonomous vehicle control to accelerated drug and materials discovery. With the growing interest in self-driving…

机器学习 · 计算机科学 2025-08-22 Gary Tom , Stanley Lo , Samantha Corapi , Alan Aspuru-Guzik , Benjamin Sanchez-Lengeling

Research in reinforcement learning has produced algorithms for optimal decision making under uncertainty that fall within two main types. The first employs a Bayesian framework, where optimality improves with increased computational time.…

机器学习 · 统计学 2011-09-22 Christos Dimitrakakis

Multi-Modal Learning (MML) integrates information from diverse modalities to improve predictive accuracy. While existing optimization strategies have made significant strides by mitigating gradient direction conflicts, we revisit MML from a…

机器学习 · 计算机科学 2026-02-09 Peizheng Guo , Jingyao Wang , Wenwen Qiang , Jiahuan Zhou , Changwen Zheng , Gang Hua

Machine Learning (ML) is increasingly used across many disciplines with impressive reported results. However, recent studies suggest published performance of ML models are often overoptimistic. Validity concerns are underscored by findings…

机器学习 · 计算机科学 2024-07-15 Pouria Saidi , Gautam Dasarathy , Visar Berisha

Mathematical models (MMs) are a powerful tool to help us understand and predict the dynamics of tumour growth under various conditions. In this work, we use 5 MMs with an increasing number of parameters to explore how certain (often…

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