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We have introduced a Pareto sorting algorithm into Synopsis, a de novo design program that generates synthesizable molecules with desirable properties. We give a detailed description of the algorithm and illustrate its working in 2…

Biomolecules · Quantitative Biology 2017-11-28 Frits Daeyaert , Michael W. Deem

Adversarially robust training has been shown to reduce the susceptibility of learned models to targeted input data perturbations. However, it has also been observed that such adversarially robust models suffer a degradation in accuracy when…

Systems and Control · Electrical Eng. & Systems 2023-02-07 Thomas T. C. K. Zhang , Bruce D. Lee , Hamed Hassani , Nikolai Matni

We introduce a generalized version of the famous Stable Marriage problem, now based on multi-modal preference lists. The central twist herein is to allow each agent to rank its potentially matching counterparts based on more than one…

Multiagent Systems · Computer Science 2018-01-10 Jiehua Chen , Rolf Niedermeier , Piotr Skowron

In multiobjective optimisation, a set of scalable test problems with a variety of features allow researchers to investigate and evaluate the abilities of different optimisation algorithms, and thus can help them to design and develop more…

Neural and Evolutionary Computing · Computer Science 2022-08-24 Liangli Zhen , Miqing Li , Ran Cheng , Dezhong Peng , Xin Yao

Evolution in time-varying environments naturally leads to adaptable biological systems that can easily switch functionalities. Advances in the synthesis of environmentally-responsive materials therefore open up the possibility of creating a…

This paper studies a class of multi-robot coordination problems where a team of robots aim to reach their goal regions with minimum time and avoid collisions with obstacles and other robots. A novel numerical algorithm is proposed to…

Optimization and Control · Mathematics 2020-09-02 Guoxiang Zhao , Minghui Zhu

The issue of fairness in recommendation is becoming increasingly essential as Recommender Systems touch and influence more and more people in their daily lives. In fairness-aware recommendation, most of the existing algorithmic approaches…

Information Retrieval · Computer Science 2022-01-04 Yingqiang Ge , Xiaoting Zhao , Lucia Yu , Saurabh Paul , Diane Hu , Chu-Cheng Hsieh , Yongfeng Zhang

Subset selection with cost constraints aims to select a subset from a ground set to maximize a monotone objective function without exceeding a given budget, which has various applications such as influence maximization and maximum coverage.…

Data Structures and Algorithms · Computer Science 2024-09-10 Dan-Xuan Liu , Chao Qian

Stable matching is a fundamental problem studied both in economics and computer science. The task is to find a matching between two sides of agents that have preferences over who they want to be matched with. A matching is stable if no pair…

Computer Science and Game Theory · Computer Science 2024-03-11 Juho Hirvonen , Sara Ranjbaran

The inverse problem of designing component interactions to target emergent structure is fundamental to numerous applications in biotechnology, materials science, and statistical physics. Equally important is the inverse problem of designing…

Computational Physics · Physics 2020-11-20 Carl P. Goodrich , Ella M. King , Samuel S. Schoenholz , Ekin D. Cubuk , Michael Brenner

The goal of constrained multiobjective evolutionary optimization is to obtain a set of well-converged and welldistributed feasible solutions. To complete this goal, there should be a tradeoff among feasibility, diversity, and convergence.…

Neural and Evolutionary Computing · Computer Science 2023-01-10 Bing-Chuan Wang , Yunchuan Qin , Xian-Bing Meng , Zhi-Zhong Liu

In this work we are interested in stochastic particle methods for multi-objective optimization. The problem is formulated using parametrized, single-objective sub-problems which are solved simultaneously. To this end a consensus based…

Optimization and Control · Mathematics 2022-08-03 Giacomo Borghi , Michael Herty , Lorenzo Pareschi

Our ultimate goal is to build robust policies for robots that assist people. What makes this hard is that people can behave unexpectedly at test time, potentially interacting with the robot outside its training distribution and leading to…

Artificial Intelligence · Computer Science 2023-10-17 Jerry Zhi-Yang He , Zackory Erickson , Daniel S. Brown , Anca D. Dragan

In the context of the optimization of rotating electric machines, many different objective functions are of interest and considering this during the optimization is of crucial importance. While evolutionary algorithms can provide a Pareto…

Optimization and Control · Mathematics 2024-04-19 Alessio Cesarano , Peter Gangl

In a multiple partners matching problem the agents can have multiple partners up to their capacities. In this paper we consider both the two-sided many-to-many stable matching problem and the one-sided stable fixtures problem under…

Computer Science and Game Theory · Computer Science 2022-02-14 Péter Biró , Gergely Csáji

Modern experimental methods enable the creation of self-assembly building blocks with tunable interactions, but optimally exploiting this tunability for the self-assembly of desired structures remains an important challenge. Many studies of…

Soft Condensed Matter · Physics 2025-07-10 Maximilian C. Hübl , Carl P. Goodrich

The problem of dynamic pricing of electricity in a retail market is considered. A Stackelberg game is used to model interactions between a retailer and its customers; the retailer sets the day-ahead hourly price of electricity and consumers…

Optimization and Control · Mathematics 2016-03-01 Liyan Jia , Lang Tong

Model merging combines expert models for multitask performance but faces challenges from parameter interference. This has sparked recent interest in controllable model merging, giving users the ability to explicitly balance performance…

Machine Learning · Computer Science 2025-11-17 Jialin Wu , Jian Yang , Handing Wang , Jiajun Wen , Zhiyong Yu

We study stable matchings that are robust to preference changes in the two-sided stable matching setting of Gale and Shapley [GS62]. Given two instances $A$ and $B$ on the same set of agents, a matching is said to be robust if it is stable…

Computer Science and Game Theory · Computer Science 2026-01-14 Rohith Reddy Gangam , Tung Mai , Nitya Raju , Vijay V. Vazirani

Only about 1,000 qualitatively different protein folds are believed to exist in nature. Here, we review theoretical studies which suggest that some folds are intrinsically more designable than others, {\it i.e.} are lowest energy states of…

Statistical Mechanics · Physics 2007-05-23 Ned Wingreen , Hao Li , Chao Tang