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Recent developments in sequential experimental design look to construct a policy that can efficiently navigate the design space, in a way that maximises the expected information gain. Whilst there is work on achieving tractable policies for…

Machine Learning · Computer Science 2025-08-20 Yasir Zubayr Barlas , Kizito Salako

Exploiting the information provided by the molecular noise of a biological process has proven to be valuable in extracting knowledge about the underlying kinetic parameters and sources of variability from single cell measurements. However,…

Quantitative Methods · Quantitative Biology 2013-08-30 Jakob Ruess , Andreas Milias-Argeitis , John Lygeros

The objective comparison of Reinforcement Learning (RL) algorithms is notoriously complex as outcomes and benchmarking of performances of different RL approaches are critically sensitive to environmental design, reward structures, and…

Machine Learning · Computer Science 2026-03-19 Sinan Ibrahim , Grégoire Ouerdane , Hadi Salloum , Henni Ouerdane , Stefan Streif , Pavel Osinenko

Bioprocess mechanistic modeling is essential for advancing intelligent digital twin representation of biomanufacturing, yet challenges persist due to complex intracellular regulation, stochastic system behavior, and limited experimental…

Machine Learning · Statistics 2025-05-07 Keilung Choy , Wei Xie , Keqi Wang

Calibration of expensive simulation models involves an emulator based on simulation outputs generated across various parameter settings to replace the actual model. Noisy outputs of stochastic simulation models require many simulation…

Methodology · Statistics 2025-05-08 Özge Sürer

Biological structure and function depend on complex regulatory interactions between many genes. A wealth of gene expression data is available from high-throughput genome-wide measurement technologies, but effective gene regulatory network…

Molecular Networks · Quantitative Biology 2016-03-28 Arwen Vanice Bradley , Ye Henry Li , Bokyung Choi , Wing Hung Wong

Iterative trajectory optimization techniques for non-linear dynamical systems are among the most powerful and sample-efficient methods of model-based reinforcement learning and approximate optimal control. By leveraging time-variant local…

Systems and Control · Electrical Eng. & Systems 2019-08-01 Onur Celik , Hany Abdulsamad , Jan Peters

Hyperparameter tuning is a challenging problem especially when the system itself involves uncertainty. Due to noisy function evaluations, optimization under uncertainty can be computationally expensive. In this paper, we present a novel…

Machine Learning · Computer Science 2025-10-09 Akash Yadav , Ruda Zhang

In this paper, we propose a framework based on the Retrospective Approximation (RA) paradigm to solve optimization problems with a stochastic objective function and general nonlinear deterministic constraints. This framework sequentially…

Optimization and Control · Mathematics 2025-05-27 Albert S. Berahas , Raghu Bollapragada , Shagun Gupta

This article explores search strategies for the design of parameterized quantum circuits. We propose several optimization approaches including random search plus survival of the fittest, reinforcement learning both with classical and hybrid…

Quantum Physics · Physics 2021-01-05 Mohammad Pirhooshyaran , Tamas Terlaky

Genetic circuit design remains a laborious, expert-driven process despite decades of progress in synthetic biology. We study this problem through code generation: models produce Python code in pysbol3 to construct genetic circuits in the…

Artificial Intelligence · Computer Science 2026-05-15 Noah Flynn

Computer experiments are often performed to allow modeling of a response surface of a physical experiment that can be too costly or difficult to run except using a simulator. Running the experiment over a dense grid can be prohibitively…

Applications · Statistics 2009-05-25 Robert B. Gramacy , Herbert K. H. Lee

The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general…

Machine Learning · Statistics 2012-12-04 Xun Huan , Youssef M. Marzouk

Reinforcement Learning (RL) is a computational approach to reward-driven learning in sequential decision problems. It implements the discovery of optimal actions by learning from an agent interacting with an environment rather than from…

Methodology · Statistics 2022-10-06 Mauricio Tec , Yunshan Duan , Peter Müller

Despite tremendous progress, machine learning and deep learning still suffer from incomprehensible predictions. Incomprehensibility, however, is not an option for the use of (deep) reinforcement learning in the real world, as unpredictable…

Artificial Intelligence · Computer Science 2024-07-23 Manuel Eberhardinger , Florian Rupp , Johannes Maucher , Setareh Maghsudi

Robust optimization is a method for optimization under uncertainties in engineering systems and designs for applications ranging from aeronautics to nuclear. In a robust design process, parameter variability (or uncertainty) is incorporated…

Computation · Statistics 2022-10-17 Richa Verma , Dinesh Kumar , Kazuma Kobayashi , Syed Alam

In this paper, we study randomized methods for feedback design of uncertain systems. The first contribution is to derive the sample complexity of various constrained control problems. In particular, we show the key role played by the…

Systems and Control · Computer Science 2014-07-22 T. Alamo , R. Tempo , A. Luque , D. R. Ramirez

Oscillations lie at the core of many biological processes, from the cell cycle, to circadian oscillations and developmental processes. Time-keeping mechanisms are essential to enable organisms to adapt to varying conditions in environmental…

Machine Learning · Statistics 2015-04-27 D Trejo , AJ Millar , G Sanguinetti

Existing approaches of prescriptive analytics -- where inputs of an optimization model can be predicted by leveraging covariates in a machine learning model -- often attempt to optimize the mean value of an uncertain objective. However,…

Machine Learning · Computer Science 2025-03-05 Dimitris Bertsimas , Benjamin Boucher

Engineering system design, viewed as a decision-making process, faces challenges due to complexity and uncertainty. In this paper, we present a framework proposing the use of the Deep Q-learning algorithm to optimize the design of…

Machine Learning · Computer Science 2024-01-01 Ramin Giahi , Cameron A. MacKenzie , Reyhaneh Bijari