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To achieve desirable performance, current AI systems often require huge amounts of training data. This is especially problematic in domains where collecting data is both expensive and time-consuming, e.g., where AI systems require having…

Artificial Intelligence · Computer Science 2022-10-11 Ardavan S. Nobandegani , Thomas R. Shultz , Irina Rish

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

What do humans do when confronted with a common challenge: we know where we want to go but we are not yet sure the best way to get there, or even if we can. This is the problem posed to agents during spatial navigation and pathfinding, and…

Artificial Intelligence · Computer Science 2021-03-16 Jeremy Gordon , John Chuang

Defeasible reasoning is the mode of reasoning where conclusions can be overturned by taking into account new evidence. Existing cognitive science literature on defeasible reasoning suggests that a person forms a mental model of the problem…

Artificial Intelligence · Computer Science 2021-10-26 Aman Madaan , Niket Tandon , Dheeraj Rajagopal , Peter Clark , Yiming Yang , Eduard Hovy

AI tools to support real world decision making must be able to build simulation models that inform their recommendations and render them interpretable. Tools that can automate aspects of modeling practice must complement human expertise,…

Artificial Intelligence · Computer Science 2026-05-29 Sara Metcalf , William Schoenberg

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

While training models and labeling data are resource-intensive, a wealth of pre-trained models and unlabeled data exists. To effectively utilize these resources, we present an approach to actively select pre-trained models while minimizing…

Machine Learning · Computer Science 2025-02-11 Xuefeng Liu , Fangfang Xia , Rick L. Stevens , Yuxin Chen

The rapid evolution of Large Language Models (LLMs) has markedly expanded their application across diverse domains, transforming how complex problems are approached and solved. Initially conceived to predict subsequent words in texts, these…

Artificial Intelligence · Computer Science 2024-07-11 Sumedh Rasal , E. J. Hauer

Plant breeding programs use data obtained from multi-environment selection experiments to produce improved varieties with the ultimate aim of maintaining high levels of genetic gain. Selection accuracy can be improved with the use of…

Methodology · Statistics 2026-05-13 Brian R Cullis , Alison B Smith , David GD Hughes , David Butler

Computational feasibility is a widespread concern that guides the framing and modeling of biological and artificial intelligence. The specification of cognitive system capacities is often shaped by unexamined intuitive assumptions about the…

Artificial Intelligence · Computer Science 2022-05-12 Federico Adolfi , Todd Wareham , Iris van Rooij

The fate of scientific hypotheses often relies on the ability of a computational model to explain the data, quantified in modern statistical approaches by the likelihood function. The log-likelihood is the key element for parameter…

Machine Learning · Computer Science 2021-01-27 Bas van Opheusden , Luigi Acerbi , Wei Ji Ma

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

Optimization is becoming increasingly common in scientific and engineering domains. Oftentimes, these problems involve various levels of stochasticity or uncertainty in generating proposed solutions. Therefore, optimization in these…

Machine Learning · Statistics 2020-06-05 Peter D. Tonner , Daniel V. Samarov , A. Gilad Kusne

We derive computationally tractable methods to select a small subset of experiment settings from a large pool of given design points. The primary focus is on linear regression models, while the technique extends to generalized linear models…

Machine Learning · Statistics 2017-12-21 Yining Wang , Adams Wei Yu , Aarti Singh

Design-based simulations - procedures that hold realized outcomes fixed and generate variation by resampling treatment assignment or shocks - are widely used in both methodological and applied work to assess inference procedures. This paper…

Econometrics · Economics 2026-03-13 Bruno Ferman

Computer simulations have become a very powerful tool for scientific research. In order to facilitate research in computational biology, the BioDynaMo project aims at a general platform for biological computer simulations, which should be…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-08-18 Lukas Breitwieser , Roman Bauer , Alberto Di Meglio , Leonard Johard , Marcus Kaiser , Marco Manca , Manuel Mazzara , Fons Rademakers , Max Talanov

The analysis of computer models can be aided by the construction of surrogate models, or emulators, that statistically model the numerical computer model. Increasingly, computer models are becoming stochastic, yielding different outputs…

Methodology · Statistics 2020-04-10 Evan Baker , Peter Challenor , Matt Eames

Automated decision systems (ADS) are broadly deployed to inform and support human decision-making across a wide range of consequential settings. However, various context-specific details complicate the goal of establishing meaningful…

Computers and Society · Computer Science 2026-02-05 Inioluwa Deborah Raji , Lydia Liu

Questions of `how best to acquire data' are essential to modeling and prediction in the natural and social sciences, engineering applications, and beyond. Optimal experimental design (OED) formalizes these questions and creates…

Methodology · Statistics 2026-05-01 Xun Huan , Jayanth Jagalur , Youssef Marzouk

In a co-simulation context, interconnected systems of differential equations are solved separately but they regularly communicate data to one another during these resolutions. Iterative co-simulation methods have been developed in order to…

Numerical Analysis · Mathematics 2022-07-07 Yohan Eguillon , Bruno Lacabanne , Damien Tromeur-Dervout