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Bioprocesses have received a lot of attention to produce clean and sustainable alternatives to fossil-based materials. However, they are generally difficult to optimize due to their unsteady-state operation modes and stochastic behaviours.…

We are often interested in identifying the feasible subset of a decision space under multiple constraints to permit effective design exploration. If determining feasibility required computationally expensive simulations, the cost of…

Machine Learning · Computer Science 2020-06-25 Alma Rahat , Michael Wood

Scalable and effective exploration remains a key challenge in reinforcement learning (RL). While there are methods with optimality guarantees in the setting of discrete state and action spaces, these methods cannot be applied in…

Machine Learning · Computer Science 2017-01-30 Rein Houthooft , Xi Chen , Yan Duan , John Schulman , Filip De Turck , Pieter Abbeel

Scientific experiments are usually expensive due to complex experimental preparation and processing. Experimental design is therefore involved with the task of finding the optimal experimental input that results in the desirable output by…

Machine Learning · Statistics 2020-02-27 Cheng Li , Sunil Gupta , Santu Rana , Vu Nguyen , Antonio Robles-Kelly , Svetha Venkatesh

Walking controllers often require parametrization which must be tuned according to some cost function. To estimate these parameters, simulations can be performed which are cheap but do not fully represent reality. Real-robot experiments, on…

Robotics · Computer Science 2018-09-17 Diego Rodriguez , André Brandenburger , Sven Behnke

Through many recent successes in simulation, model-free reinforcement learning has emerged as a promising approach to solving continuous control robotic tasks. The research community is now able to reproduce, analyze and build quickly on…

Machine Learning · Computer Science 2018-09-21 A. Rupam Mahmood , Dmytro Korenkevych , Gautham Vasan , William Ma , James Bergstra

Simulators often require calibration inputs estimated from real world data and the quality of the estimate can significantly affect simulation output. Particularly when performing simulation optimisation to find an optimal solution, the…

Machine Learning · Computer Science 2020-06-02 Juan Ungredda , Michael Pearce , Juergen Branke

Reinforcement learning provides a framework for learning to control which actions to take towards completing a task through trial-and-error. In many applications observing interactions is costly, necessitating sample-efficient learning. In…

Machine Learning · Statistics 2020-11-04 Charles Gadd , Markus Heinonen , Harri Lähdesmäki , Samuel Kaski

Reinforcement learning for control over continuous spaces typically uses high-entropy stochastic policies, such as Gaussian distributions, for local exploration and estimating policy gradient to optimize performance. Many robotic control…

Machine Learning · Computer Science 2024-04-03 Ya-Chien Chang , Sicun Gao

All reinforcement learning algorithms must handle the trade-off between exploration and exploitation. Many state-of-the-art deep reinforcement learning methods use noise in the action selection, such as Gaussian noise in policy gradient…

Machine Learning · Computer Science 2018-04-05 Trevor Barron , Oliver Obst , Heni Ben Amor

Deep reinforcement learning (RL) approaches have been broadly applied to a large number of robotics tasks, such as robot manipulation and autonomous driving. However, an open problem in deep RL is learning policies that are robust to…

Robotics · Computer Science 2023-12-19 Rohan Banerjee , Prishita Ray , Mark Campbell

Control of non-episodic, finite-horizon dynamical systems with uncertain dynamics poses a tough and elementary case of the exploration-exploitation trade-off. Bayesian reinforcement learning, reasoning about the effect of actions and future…

Machine Learning · Statistics 2016-08-12 Edgar D. Klenske , Philipp Hennig

We present a framework for the efficient computation of optimal Bayesian decisions under intractable likelihoods, by learning a surrogate model for the expected utility (or its distribution) as a function of the action and data spaces. We…

Machine Learning · Statistics 2023-11-13 Justin Alsing , Thomas D. P. Edwards , Benjamin Wandelt

Experiments in engineering are typically conducted in controlled environments where parameters can be set to any desired value. This assumes that the same applies in a real-world setting -- an assumption that is often incorrect as many…

Machine Learning · Computer Science 2025-11-18 Mike Diessner , Kevin J. Wilson , Richard D. Whalley

Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of…

Machine Learning · Statistics 2012-08-30 Jasper Snoek , Hugo Larochelle , Ryan P. Adams

Abstract Machine learning models, trained on data from ab initio quantum simulations, are yielding molecular dynamics potentials with unprecedented accuracy. One limiting factor is the quantity of available training data, which can be…

Computational Physics · Physics 2020-06-11 Justin S. Smith , Nicholas Lubbers , Aidan P. Thompson , Kipton Barros

Bayesian optimization (BO) is a model-based approach to sequentially optimize expensive black-box functions, such as the validation error of a deep neural network with respect to its hyperparameters. In many real-world scenarios, the…

Machine Learning · Statistics 2019-10-17 Valerio Perrone , Iaroslav Shcherbatyi , Rodolphe Jenatton , Cedric Archambeau , Matthias Seeger

Optimal operation of chemical processes is vital for energy, resource, and cost savings in chemical engineering. The problem of optimal operation can be tackled with reinforcement learning, but traditional reinforcement learning methods…

Machine Learning · Computer Science 2025-11-21 Dean Brandner , Sergio Lucia

Deep reinforcement learning has the potential to address various scientific problems. In this paper, we implement an optics simulation environment for reinforcement learning based controllers. The environment captures the essence of…

Machine Learning · Computer Science 2023-10-03 Abulikemu Abuduweili , Changliu Liu

Reinforcement learning often requires extensive training data. Simulation-to-real transfer offers a promising approach to address this challenge in robotics. While differentiable simulators offer improved sample efficiency through exact…

Robotics · Computer Science 2024-12-02 Severin Bochem , Eduardo Gonzalez-Sanchez , Yves Bicker , Gabriele Fadini
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