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Density functional theory is routinely applied to predict crystal structures. The most common exchange-correlation functionals used to this end are the Perdew-Burke-Ernzerhof (PBE) approximation and its variant PBEsol. We investigate the…

Materials Science · Physics 2022-05-18 Robert Hussein , Jonathan Schmidt , Tomás Barros , Miguel A. L. Marques , Silvana Botti

Pareto optimization via evolutionary multi-objective algorithms has been shown to efficiently solve constrained monotone submodular functions. Traditionally when solving multiple problems, the algorithm is run for each problem separately.…

Neural and Evolutionary Computing · Computer Science 2026-04-17 Liam Wigney , Frank Neumann

We study the minimum weight basis problem on matroid when elements' weights are uncertain. For each element we only know a set of possible values (an uncertainty area) that contains its real weight. In some cases there exist bases that are…

Data Structures and Algorithms · Computer Science 2019-04-29 Arturo I. Merino , José A. Soto

The vastness of the space of possible multicomponent metal alloys is hoped to provide improved structural materials but also challenges traditional, low-throughput materials design efforts. Computational screening could narrow this search…

Refractory high-entropy alloys (RHEAs) are compositionally complex materials which have been demonstrated to have the potential for exceptional strength at high operating temperatures. However, their composition space is vast, and other…

Materials Science · Physics 2025-11-21 Stephen A. Giles , Hugh Shortt , Peter K. Liaw , Debasis Sengupta

The number of proposed recommender algorithms continues to grow. The authors propose new approaches and compare them with existing models, called baselines. Due to the large number of recommender models, it is difficult to estimate which…

Information Retrieval · Computer Science 2023-06-27 Veronika Ivanova , Oleg Lashinin , Marina Ananyeva , Sergey Kolesnikov

Various combinations of characteristic temperatures, such as the glass transition temperature, liquidus temperature, and crystallization temperature, have been proposed as predictions of the glass forming ability of metal alloys. We have…

A challenging category of robotics problems arises when sensing incurs substantial costs. This paper examines settings in which a robot wishes to limit its observations of state, for instance, motivated by specific considerations of energy…

Robotics · Computer Science 2023-09-26 Patrick Zhong , Federico Rossi , Dylan A. Shell

Multi-task learning is a powerful method for solving multiple correlated tasks simultaneously. However, it is often impossible to find one single solution to optimize all the tasks, since different tasks might conflict with each other.…

Machine Learning · Computer Science 2020-01-01 Xi Lin , Hui-Ling Zhen , Zhenhua Li , Qingfu Zhang , Sam Kwong

Optimizing the physical data storage and retrieval of data are two key database management problems. In this paper, we propose a language that can express a wide range of physical database layouts, going well beyond the row- and…

Programming Languages · Computer Science 2020-02-07 John K. Feser , Samuel Madden , Nan Tang , Armando Solar-Lezama

A multicriteria economic problem is considered: the basic production assets and the labor resources define a set of feasible solutions (alternatives), labor costs, costs of the basic production assets (to be minimized), and cost of the…

Optimization and Control · Mathematics 2018-05-29 Aleksey Zakharov

From algebraic geometry perspective database relations are succinctly defined as Finite Varieties. After establishing basic framework, we give analytic proof of Heath theorem from Database Dependency theory. Next, we leverage…

Databases · Computer Science 2017-12-13 Vadim Tropashko

Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…

Materials Science · Physics 2021-04-14 Nataliya Lopanitsyna , Chiheb Ben Mahmoud , Michele Ceriotti

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

The growing need for companies to reduce costs and maximize profits has led to an increased focus on logistics activities. Among these, inventory management plays a crucial role in minimizing organizational expenses by optimizing the…

We study the classical problem of matching $n$ agents to $n$ objects, where the agents have ranked preferences over the objects. We focus on two popular desiderata from the matching literature: Pareto optimality and rank-maximality. Instead…

Computer Science and Game Theory · Computer Science 2021-04-15 Hadi Hosseini , Vijay Menon , Nisarg Shah , Sujoy Sikdar

We consider the problem of allocating applicants to courses, where each applicant has a subset of acceptable courses that she ranks in strict order of preference. Each applicant and course has a capacity, indicating the maximum number of…

Data Structures and Algorithms · Computer Science 2017-07-11 Katarina Cechlarova , Bettina Klaus , David F. Manlove

Order picking is the single most cost-intensive activity in picker-to-parts warehouses, and as such has garnered large interest from the scientific community which led to multiple problem formulations and a plethora of algorithms published.…

Optimization and Control · Mathematics 2025-06-26 Giorgio Abelli , Maximilian Katzmann , Imran Khan , Olaf Maurer , Julius Pätzold , Paweł Pszona , Jan-David Salchow

Experimentally [1-38] and computationally [39-50] validated machine learning (ML) articles are sorted based on the size of the training data: 1-100, 101-10000, and 10000+ in a comprehensive set summarizing legacy and recent advances in the…

Materials Science · Physics 2023-03-20 Sterling G. Baird , Marianne Liu , Hasan M. Sayeed , Taylor D. Sparks

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced…

Materials Science · Physics 2024-03-12 Nathan Johnson , Aashwin Ananda Mishra , Apurva Mehta
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