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In alloy design, the search for candidate materials is often framed as an optimization problem, with the goal of identifying Pareto-optimal solutions across multiple objectives. However, Pareto-optimal solutions do not necessarily satisfy…

Materials Science · Physics 2025-10-24 Cayden Maguire , Christofer Hardcastle , Trevor Hastings , Raymundo Arróyave , Brent Vela

Complete reliance on the fitted model in response surface experiments is risky and relaxing this assumption, whether out of necessity or intentionally, requires an experimenter to account for multiple conflicting objectives. This work…

Methodology · Statistics 2023-06-16 Olga Egorova , Steven G. Gilmour

In an observational study, matching aims to create many small sets of similar treated and control units from initial samples that may differ substantially in order to permit more credible causal inferences. The problem of constructing…

Methodology · Statistics 2024-06-28 Shichao Han , Samuel D. Pimentel

Multi-objective optimization studies the process of seeking multiple competing desiderata in some operation. Solution techniques highlight marginal tradeoffs associated with weighing one objective over others. In this paper, we consider…

Optimization and Control · Mathematics 2026-01-05 Allahkaram Shafiei , Jakub Marecek

Preference-based many-objective optimization faces two obstacles: an expanding space of trade-offs and heterogeneous, context-dependent human value structures. Towards this, we propose a Bayesian framework that learns a small set of latent…

Machine Learning · Computer Science 2026-03-31 Manisha Dubey , Sebastiaan De Peuter , Wanrong Wang , Samuel Kaski

Early stage drug discovery and molecular design projects often follow iterative design-make-test cycles. The selection of which compounds to synthesize from all possible candidate compounds is a complex decision inherent to these design…

Quantitative Methods · Quantitative Biology 2025-03-19 Jenna C. Fromer , Alexandra D. Volkova , Connor W. Coley

Artificial intelligence algorithms have been used to enhance a wide variety of products and services, including assisting human decision making in high-stakes contexts. However, these algorithms are complex and have trade-offs, notably…

Human-Computer Interaction · Computer Science 2020-07-07 Bowen Yu , Ye Yuan , Loren Terveen , Zhiwei Steven Wu , Jodi Forlizzi , Haiyi Zhu

Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in…

Biomolecules · Quantitative Biology 2025-07-23 Hao Tuo , Yan Li , Xuanning Hu , Haishi Zhao , Xueyan Liu , Bo Yang

One of the challenges in Synthetic Biology is to design circuits with increasing levels of complexity. While circuits in Biology are complex and subject to natural tradeoffs, most synthetic circuits are simple in terms of the number of…

Optimization and Control · Mathematics 2014-03-03 Irene Otero-Muras , Julio R. Banga

Designing sustainable medical devices requires balancing environmental, economic, and social demands, yet trade-offs across these pillars are difficult to identify using manual assessment alone. Current methods depend heavily on expert…

Physics and Society · Physics 2025-12-16 Apala Chakrabarti

Understanding how multiple features are associated and contribute to a specific objective is as important as understanding how each feature contributes to a particular outcome. Interpretability of a single feature in a prediction may be…

Machine Learning · Computer Science 2024-03-04 Nisha Pillai , Ganga Gireesan , Michael J. Rothrock , Bindu Nanduri , Zhiqian Chen , Mahalingam Ramkumar

Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…

Optimization and Control · Mathematics 2021-05-11 Gustavo Barbosa Libotte , Fran Sérgio Lobato , Francisco Duarte Moura Neto , Gustavo Mendes Platt

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

Medical devices improve healthcare outcomes but often involve sustainability conflicts across environmental, economic, and social pillars. Existing approaches typically prioritize one or two pillars and lack a unified framework to assess…

Physics and Society · Physics 2025-12-16 Apala Chakrabarti

In recommendation settings, there is an apparent trade-off between the goals of accuracy (to recommend items a user is most likely to want) and diversity (to recommend items representing a range of categories). As such, real-world…

Information Retrieval · Computer Science 2023-07-31 Kenny Peng , Manish Raghavan , Emma Pierson , Jon Kleinberg , Nikhil Garg

In real-world applications, users often favor structurally diverse design choices over one high-quality solution. It is hence important to consider more solutions that decision makers can compare and further explore based on additional…

Machine Learning · Computer Science 2025-04-02 Maria Laura Santoni , Elena Raponi , Aneta Neumann , Frank Neumann , Mike Preuss , Carola Doerr

In dimensionality reduction problems, the adopted technique may produce disparities between the representation errors of different groups. For instance, in the projected space, a specific class can be better represented in comparison with…

Machine Learning · Computer Science 2022-10-04 Guilherme D. Pelegrina , Renan D. B. Brotto , Leonardo T. Duarte , Romis Attux , João M. T. Romano

Retrieval systems are increasingly used in biomedical and clinical natural language processing applications, yet practical guidance for researchers building such systems is limited. In this work, we provide such guidance through an…

Information Retrieval · Computer Science 2026-04-24 Hayk Stepanyan , Matthew McDermott

Matching mechanisms play a central role in operations management across diverse fields including education, healthcare, and online platforms. However, experimentally comparing a new matching algorithm against a status quo presents some…

Methodology · Statistics 2026-01-30 Chonghuan Wang

In a variety of domains, from robotics to finance, Quality-Diversity algorithms have been used to generate collections of both diverse and high-performing solutions. Multi-Objective Quality-Diversity algorithms have emerged as a promising…

Artificial Intelligence · Computer Science 2026-02-03 Hannah Janmohamed , Maxence Faldor , Thomas Pierrot , Antoine Cully
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