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Model-based experimental design is attracting increasing attention in chemical process engineering. Typically, an iterative procedure is pursued: an approximate model is devised, prescribed experiments are then performed and the resulting…

Optimization and Control · Mathematics 2021-01-25 Charlie Vanaret , Philipp Seufert , Jan Schwientek , Gleb Karpov , Gleb Ryzhakov , Ivan Oseledets , Norbert Asprion , Michael Bortz

In the context of model-based control of industrial processes, it is a common practice to develop a data-driven linear dynamical model around a specified operating point. However, in applications involving wider operating conditions,…

Systems and Control · Electrical Eng. & Systems 2024-06-07 Vatsal Kedia , Vivek S. Pinnamaraju , Dinesh Patil

As predictive models -- e.g., from machine learning -- give likely outcomes, they may be used to reason on the effect of an intervention, a causal-inference task. The increasing complexity of health data has opened the door to a plethora of…

Machine Learning · Statistics 2023-05-17 Matthieu Doutreligne , Gaël Varoquaux

Studies investigating the neural bases of cognitive phenomena such as perception, attention and decision-making increasingly employ multialternative task designs. It is essential in such designs to distinguish the neural correlates of…

Neurons and Cognition · Quantitative Biology 2013-10-17 Devarajan Sridharan , Nicholas A. Steinmetz , Tirin Moore , Eric I. Knudsen

Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs…

Machine Learning · Computer Science 2022-12-13 Colin G. Cess , Stacey D. Finley

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

Nowadays, the numerical models of real-world structures are more precise, more complex and, of course, more time-consuming. Despite the growth of a computational effort, the exploration of model behaviour remains a complex task. The…

Computational Engineering, Finance, and Science · Computer Science 2014-10-17 Eliska Janouchova , Anna Kucerova

Computational models in fields such as computational neuroscience are often evaluated via stochastic simulation or numerical approximation. Fitting these models implies a difficult optimization problem over complex, possibly noisy parameter…

Machine Learning · Statistics 2017-11-03 Luigi Acerbi , Wei Ji Ma

Bayesian experimental design (BED) is a framework that uses statistical models and decision making under uncertainty to optimise the cost and performance of a scientific experiment. Sequential BED, as opposed to static BED, considers the…

Machine Learning · Statistics 2020-03-23 Steven Kleinegesse , Christopher Drovandi , Michael U. Gutmann

Model-based optimization (MBO) is increasingly applied to design problems in science and engineering. A common scenario involves using a fixed training set to train models, with the goal of designing new samples that outperform those…

Machine Learning · Computer Science 2023-11-10 Farhan Damani , David H Brookes , Theodore Sternlieb , Cameron Webster , Stephen Malina , Rishi Jajoo , Kathy Lin , Sam Sinai

Online decision making under uncertainty in partially observable domains, also known as Belief Space Planning, is a fundamental problem in robotics and Artificial Intelligence. Due to an abundance of plausible future unravelings,…

Artificial Intelligence · Computer Science 2023-02-15 Andrey Zhitnikov , Vadim Indelman

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

We study the benefit of modern simulation-based inference to constrain particle interactions at the LHC. We explore ways to incorporate known physics structures into likelihood estimation, specifically morphing-aware estimation and…

High Energy Physics - Phenomenology · Physics 2025-10-01 Henning Bahl , Victor Bresó , Giovanni De Crescenzo , Tilman Plehn

Bayesian experimental design (BED) is to answer the question that how to choose designs that maximize the information gathering. For implicit models, where the likelihood is intractable but sampling is possible, conventional BED methods…

Machine Learning · Computer Science 2021-03-16 Jiaxin Zhang , Sirui Bi , Guannan Zhang

Optimal design is a critical yet challenging task within many applications. This challenge arises from the need for extensive trial and error, often done through simulations or running field experiments. Fortunately, sequential optimal…

Machine Learning · Computer Science 2025-03-25 Xubo Yue , Raed Al Kontar , Albert S. Berahas , Yang Liu , Blake N. Johnson

It has been proposed that human physical reasoning consists largely of running "physics engines in the head" in which the future trajectory of the physical system under consideration is computed precisely using accurate scientific theories.…

Artificial Intelligence · Computer Science 2015-06-17 Ernest Davis , Gary Marcus

In this thesis I present a virtual laboratory which implements five different models for controlling animats: a rule-based system, a behaviour-based system, a concept-based system, a neural network, and a Braitenberg architecture. Through…

Artificial Intelligence · Computer Science 2009-09-29 Carlos Gershenson

Many scientific models are composed of multiple discrete components, and scientists often make heuristic decisions about which components to include. Bayesian inference provides a mathematical framework for systematically selecting model…

Machine Learning · Computer Science 2024-05-31 Cornelius Schröder , Jakob H. Macke

e consider the experimental design problem in an online environment, an important practical task for reducing the variance of estimates in randomized experiments which allows for greater precision, and in turn, improved decision making. In…

Methodology · Statistics 2022-03-07 David Arbour , Drew Dimmery , Tung Mai , Anup Rao

The construction of decision-theoretic Bayesian designs for realistically-complex nonlinear models is computationally challenging, as it requires the optimization of analytically intractable expected utility functions over high-dimensional…

Methodology · Statistics 2016-07-01 Antony Overstall , David Woods
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