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The traditional goal of inverse self-assembly is to design interactions that drive particles toward a desired target structure. However, achieving successful self-assembly also requires tuning the thermodynamic conditions under which the…

Soft Condensed Matter · Physics 2025-06-16 Camilla Beneduce , Giuseppe Mastriani , Petr Šulc , Francesco Sciortino , John Russo

In automated manufacturing, robots must reliably assemble parts of various geometries and low tolerances. Ideally, they plan the required motions autonomously. This poses a substantial challenge due to high-dimensional state spaces and…

Fairness in clustering has been considered extensively in the past; however, the trade-off between the two objectives -- e.g., can we sacrifice just a little in the quality of the clustering to significantly increase fairness, or…

Machine Learning · Computer Science 2024-08-20 Rashida Hakim , Ana-Andreea Stoica , Christos H. Papadimitriou , Mihalis Yannakakis

In the application of machine learning to real-life decision-making systems, e.g., credit scoring and criminal justice, the prediction outcomes might discriminate against people with sensitive attributes, leading to unfairness. The commonly…

Machine Learning · Computer Science 2022-03-21 Suyun Liu , Luis Nunes Vicente

Optimizing nonlinear systems involving expensive computer experiments with regard to conflicting objectives is a common challenge. When the number of experiments is severely restricted and/or when the number of objectives increases,…

Machine Learning · Statistics 2019-07-16 David Gaudrie , Rodolphe Le Riche , Victor Picheny , Benoit Enaux , Vincent Herbert

Topology optimization is an important basis for the design of components. Here, the optimal structure is found within a design space subject to boundary conditions. Thereby, the specific material law has a strong impact on the final design.…

Computational Engineering, Finance, and Science · Computer Science 2024-04-29 Miriam Kick , Philipp Junker

We consider Markov decision processes (MDPs) with multiple limit-average (or mean-payoff) objectives. There exist two different views: (i) the expectation semantics, where the goal is to optimize the expected mean-payoff objective, and (ii)…

Logic in Computer Science · Computer Science 2019-03-14 Krishnendu Chatterjee , Zuzana Křetínská , Jan Křetínský

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

Machine Learning · Computer Science 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

Pareto front profiling in multi-objective optimization (MOO), i.e., finding a diverse set of Pareto optimal solutions, is challenging, especially with expensive objectives that require training a neural network. Typically, in MOO for neural…

Machine Learning · Computer Science 2025-02-06 Rhea Sanjay Sukthanker , Arber Zela , Benedikt Staffler , Samuel Dooley , Josif Grabocka , Frank Hutter

Multi-step pathways, constituted of a sequence of reconfigurations, are central to a wide variety of natural and man-made systems. Such pathways autonomously execute in self-guided processes such as protein folding and self-assembly, but…

Soft Condensed Matter · Physics 2018-10-18 Corentin Coulais , Alberico Sabbadini , Fré Vink , Martin van Hecke

Performance and energy are the two most important objectives for optimisation on modern parallel platforms. Latest research demonstrated the importance of workload distribution as a decision variable in the bi-objective optimisation for…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-10 Hamidreza Khaleghzadeh , Muhammad Fahad , Arsalan Shahid , Ravi Reddy Manumachu , Alexey Lastovetsky

The goal of inverse self-assembly is to design inter-particle interactions capable of assembling the units into a desired target structure. The effective assembly of complex structures often requires the use of multiple components, each new…

Soft Condensed Matter · Physics 2023-11-08 Camilla Beneduce , Francesco Sciortino , Petr Sulc , John Russo

Contact-aware topology optimization faces challenges in robustness, accuracy, and applicability to internal structural surfaces under self-contact. This work builds on the recently proposed barrier-based Incremental Potential Contact (IPC)…

Optimization and Control · Mathematics 2022-08-26 Zeshun Zong , Xuan Li , Jianping Ye , Sian Wen , Yin Yang , Danny M. Kaufman , Minchen Li , Chenfanfu Jiang

Post-training of LLMs with RLHF, and subsequently preference optimization algorithms such as DPO, IPO, etc., made a big difference in improving human alignment. However, all such techniques can only work with a single (human) objective. In…

Machine Learning · Computer Science 2025-05-19 Akhil Agnihotri , Rahul Jain , Deepak Ramachandran , Zheng Wen

Hierarchically structured natural materials possess functionalities unattainable to the same components organized or mixed in simpler ways. For instance, the bones and teeth of mammals are far stronger and more durable than the mineral…

Soft Condensed Matter · Physics 2014-04-04 Thomas K. Haxton , Stephen Whitelam

In multiobjective optimization, most branch and bound algorithms provide the decision maker with the whole Pareto front, and then decision maker could select a single solution finally. However, if the number of objectives is large, the…

Optimization and Control · Mathematics 2024-02-29 Weitian Wu , Xinmin Yang

Hyperparameter optimization (HPO) is important to leverage the full potential of machine learning (ML). In practice, users are often interested in multi-objective (MO) problems, i.e., optimizing potentially conflicting objectives, like…

Machine Learning · Computer Science 2024-01-12 Joseph Giovanelli , Alexander Tornede , Tanja Tornede , Marius Lindauer

A multi-condition multi-objective optimization method that can find Pareto front over a defined condition space is developed for the first time using deep reinforcement learning. Unlike the conventional methods which perform optimization at…

Machine Learning · Computer Science 2022-05-25 Sejin Kim , Innyoung Kim , Donghyun You

We model the formation of multi-layer transportation networks as a multi-objective optimization process, where service providers compete for passengers, and the creation of routes is determined by a multi-objective cost function encoding a…

Physics and Society · Physics 2018-09-26 Andrea Santoro , Vito Latora , Giuseppe Nicosia , Vincenzo Nicosia

Optimization of accelerator performance parameters is limited by numerous trade-offs and finding the appropriate balance between optimization goals for an unknown system is challenging to achieve. Here we show that multi-objective Bayesian…

Accelerator Physics · Physics 2023-03-29 F. Irshad , C. Eberle , F. M. Foerster , K. v. Grafenstein , F. Haberstroh , E. Travac , N. Weisse , S. Karsch , A. Döpp