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Heuristic search is a powerful approach that has successfully been applied to a broad class of planning problems, including classical planning, multi-objective planning, and probabilistic planning modelled as a stochastic shortest path…

Artificial Intelligence · Computer Science 2024-10-29 Dillon Chen , Felipe Trevizan , Sylvie Thiébaux

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC)…

Machine Learning · Computer Science 2026-03-25 Yiding Shi , Jianan Zhou , Wen Song , Jieyi Bi , Yaoxin Wu , Zhiguang Cao , Jie Zhang

High-dimensional limit theorems have been shown useful to derive tuning rules for finding the optimal scaling in random-walk Metropolis algorithms. The assumptions under which weak convergence results are proved are however restrictive: the…

Methodology · Statistics 2022-02-16 Sebastian M Schmon , Philippe Gagnon

Algorithms for learning decision trees often include heuristic local-search operations such as (1) adjusting the threshold of a cut or (2) also exchanging the feature of that cut. We study minimizing the number of classification errors by…

Machine Learning · Computer Science 2025-10-15 Juha Harviainen , Frank Sommer , Manuel Sorge

We study a colourful generalization of the linear programming feasibility problem, comparing the algorithms introduced by Barany and Onn with new methods. We perform benchmarking on generic and ill-conditioned problems, as well as as…

Combinatorics · Mathematics 2007-05-23 Antoine Deza , Sui Huang , Tamon Stephen , Tamás Terlaky

The success of metabolomics studies depends upon the "fitness" of each biological sample used for analysis: it is critical that metabolite levels reported for a biological sample represent an accurate snapshot of the studied organism's…

Quantitative Methods · Quantitative Biology 2015-06-16 Barry M. Slaff , Shane T. Jensen , Aalim M. Weljie

Counting problems, determining the number of possible states of a large system under certain constraints, play an important role in many areas of science. They naturally arise for complex disordered systems in physics and chemistry, in…

Statistical Mechanics · Physics 2009-05-15 Marc Timme , Frank van Bussel , Denny Fliegner , Sebastian Stolzenberg

Multipartite entity resolution aims at integrating records from multiple datasets into one entity. We derive a mathematical formulation for a general class of record linkage problems in multipartite entity resolution across many datasets as…

Discrete Mathematics · Computer Science 2021-12-08 Alla Kammerdiner , Alexander Semenov , Eduardo Pasiliao

Finding the common structural features of two molecules is a fundamental task in cheminformatics. Most drugs are small molecules, which can naturally be interpreted as graphs. Hence, the task is formalized as maximum common subgraph…

Data Structures and Algorithms · Computer Science 2016-10-28 Andre Droschinsky , Nils Kriege , Petra Mutzel

Detecting and quantifying products of cellular metabolism using Mass Spectrometry (MS) has already shown great promise in many biological and biomedical applications. The biggest challenge in metabolomics is annotation, where measured…

Machine Learning · Computer Science 2020-10-12 Hao Zhu , Liping Liu , Soha Hassoun

This paper deals with robust optimization applied to network flows. Two robust variants of the minimum-cost integer flow problem are considered. Thereby, uncertainty in problem formulation is limited to arc unit costs and expressed by a…

Artificial Intelligence · Computer Science 2020-02-27 Marko Špoljarec , Robert Manger

Large Language Models (LLMs) struggle to solve complex combinatorial problems through direct reasoning, so recent neuro-symbolic systems increasingly use them to synthesize executable solvers. A central design question is how the LLM should…

Artificial Intelligence · Computer Science 2026-05-13 Haoyu Wang , Yuliang Song , Tao Li , Zhiwei Deng , Yaqing Wang , Deepak Ramachandran , Eldan Cohen , Dan Roth

We propose HyperSteiner -- an efficient heuristic algorithm for computing Steiner minimal trees in the hyperbolic space. HyperSteiner extends the Euclidean Smith-Lee-Liebman algorithm, which is grounded in a divide-and-conquer approach…

Computational Geometry · Computer Science 2025-01-15 Alejandro García-Castellanos , Aniss Aiman Medbouhi , Giovanni Luca Marchetti , Erik J. Bekkers , Danica Kragic

Identifying robust designs for multi-energy systems is computationally challenging. As rigorous approaches are often computationally intractable, heuristics are employed to generate candidate designs. One example is the feasibility…

Optimization and Control · Mathematics 2026-05-14 Moritz Wedemeyer , Alexander Mitsos , Manuel Dahmen

Solving an optimization task in any domain is a very challenging problem, especially when dealing with nonlinear problems and non-convex functions. Many meta-heuristic algorithms are very efficient when solving nonlinear functions. A…

Neural and Evolutionary Computing · Computer Science 2020-07-28 Mona Nasr , Omar Farouk , Ahmed Mohamedeen , Ali Elrafie , Marwan Bedeir , Ali Khaled

In radiation therapy, mathematical methods have been used for optimizing treatment planning for delivery of sufficient dose to the cancerous cells while keeping the dose to critical surrounding structures minimal. This optimization problem…

Medical Physics · Physics 2015-06-16 Hamed Yarmand , David Craft

Metabolites, small molecules that are involved in cellular reactions, provide a direct functional signature of cellular state. Untargeted metabolomics experiments usually relies on tandem mass spectrometry to identify the thousands of…

Quantitative Methods · Quantitative Biology 2015-01-29 Kai Dührkop , Sebastian Böcker

Recently, neural heuristics based on deep reinforcement learning have exhibited promise in solving multi-objective combinatorial optimization problems (MOCOPs). However, they are still struggling to achieve high learning efficiency and…

Machine Learning · Computer Science 2023-10-25 Jinbiao Chen , Jiahai Wang , Zizhen Zhang , Zhiguang Cao , Te Ye , Siyuan Chen

Extracting a small subset of representative tuples from a large database is an important task in multi-criteria decision making. The regret-minimizing set (RMS) problem is recently proposed for representative discovery from databases.…

Data Structures and Algorithms · Computer Science 2020-07-21 Yanhao Wang , Michael Mathioudakis , Yuchen Li , Kian-Lee Tan

Parameterized complexity enables the practical solution of generally intractable NP-hard problems when certain parameters are small, making it particularly useful in real-world applications. The study of string problems in this framework…

Quantum Physics · Physics 2025-10-20 Josh Cudby , Sergii Strelchuk