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The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

We present the details of the numerical realization of the recently advanced algorithm developed to identify the fragmentation in heavy ion reactions. This new algorithm is based on the Simulated Annealing method and is dubbed as Simulated…

Nuclear Theory · Physics 2009-10-31 Rajeev K. Puri , Joerg Aichelin

This research concerns a type of configuration optimization problems frequently encountered in engineering design and manufacturing, where the envelope volume in space occupied by a number of components needs to be minimized along with…

Computational Engineering, Finance, and Science · Computer Science 2017-06-13 Pei Cao , Zhaoyan Fan , Robert X. Gao , Jiong Tang

In structured output learning, obtaining labelled data for real-world applications is usually costly, while unlabelled examples are available in abundance. Semi-supervised structured classification has been developed to handle large amounts…

Machine Learning · Computer Science 2013-11-12 P. Balamurugan , Shirish Shevade , Sundararajan Sellamanickam

Functions of chemical composition are complex and discrete in nature making it impossible to optimize them with gradient methods. Genetic algorithms, which do not use derivative information, are used to maximize the thermal conductivity of…

Materials Science · Physics 2018-01-30 Alexander Kerr , Kieran Mullen

Space is a circuit oriented, spatial programming language designed to exploit the massive parallelism available in a novel formal model of computation called the Synchronic A-Ram, and physically related FPGA and reconfigurable…

Computation and Language · Computer Science 2010-08-31 Alex V Berka

Satisfiability filters, introduced by S. A. Weaver et al. in 2014, are a new and promising type of filters to address set membership testing. In order to construct satisfiability filters, it is necessary to find disparate solutions to hard…

Quantum Physics · Physics 2017-04-10 Marlon Azinović , Daniel Herr , Bettina Heim , Ethan Brown , Matthias Troyer

Bayesian Optimization with multi-objective acquisition functions such as q-Expected Hypervolume Improvement (qEHVI) requires efficient candidate optimization to maximize acquisition function values. Traditional approaches rely on continuous…

Machine Learning · Computer Science 2026-01-13 Sk Md Ahnaf Akif Alvi , Raymundo Arróyave , Douglas Allaire

Program optimization is the process of modifying software to execute more efficiently. Superoptimizers attempt to find the optimal program by employing significantly more expensive search and constraint solving techniques. Generally, these…

Machine Learning · Computer Science 2022-04-06 Alex Shypula , Pengcheng Yin , Jeremy Lacomis , Claire Le Goues , Edward Schwartz , Graham Neubig

Semidefinite programming (SDP) is a powerful framework from convex optimization that has striking potential for data science applications. This paper develops a provably correct randomized algorithm for solving large, weakly constrained SDP…

Optimization and Control · Mathematics 2021-03-26 Alp Yurtsever , Joel A. Tropp , Olivier Fercoq , Madeleine Udell , Volkan Cevher

Policies trained in simulation often fail when transferred to the real world due to the `reality gap' where the simulator is unable to accurately capture the dynamics and visual properties of the real world. Current approaches to tackle…

Robotics · Computer Science 2021-05-21 Yuqing Du , Olivia Watkins , Trevor Darrell , Pieter Abbeel , Deepak Pathak

The rise of (multimodal) large language models (LLMs) has shed light on software agent -- where software can understand and follow user instructions in natural language. However, existing approaches such as API-based and GUI-based agents…

Software Engineering · Computer Science 2025-02-10 Mengwei Xu

In this paper, we propose: (a) a restart schedule for an adaptive simulated annealer, and (b) parallel simulated annealing, with an adaptive and parameter-free annealing schedule. The foundation of our approach is the Modified Lam annealing…

Neural and Evolutionary Computing · Computer Science 2023-11-10 Vincent A. Cicirello

The quest for real-time dynamic optimization solutions in the process industry represents a formidable computational challenge, particularly within the realm of applications like model-predictive control, where rapid and reliable…

Optimization and Control · Mathematics 2024-04-29 Dennis Michael Nenno , Adrian Caspari

High-level synthesis, source-to-source compilers, and various Design Space Exploration techniques for pragma insertion have significantly improved the Quality of Results of generated designs. These tools offer benefits such as reduced…

Software Engineering · Computer Science 2025-03-04 Stéphane Pouget , Louis-Noël Pouchet , Jason Cong

Efficient execution of parameter sensitivity analysis (SA) is critical to allow for its routinely use. The pathology image processing application investigated in this work processes high-resolution whole-slide cancer tissue images from…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-01 Eduardo Scartezini , Willian Barreiros , Tahsin Kurc , Jun Kong , Alba C. M. A. Melo , Joel Saltz , George Teodoro

Answer Set Programming with Quantifiers (ASP(Q)) has been introduced to provide a natural extension of ASP modeling to problems in the polynomial hierarchy (PH). However, ASP(Q) lacks a method for encoding in an elegant and compact way…

Artificial Intelligence · Computer Science 2025-01-22 Giuseppe Mazzotta , Francesco Ricca , Mirek Truszczynski

The emergence of Large Code Models (LCMs) has transformed software engineering (SE) automation, driving significant advancements in tasks such as code generation, source code documentation, code review, and bug fixing. However, these…

Software Engineering · Computer Science 2025-05-06 Antonio Mastropaolo , Denys Poshyvanyk

Although Boolean Constraint Technology has made tremendous progress over the last decade, the efficacy of state-of-the-art solvers is known to vary considerably across different types of problem instances and is known to depend strongly on…

Artificial Intelligence · Computer Science 2014-01-07 Holger Hoos , Roland Kaminski , Marius Lindauer , Torsten Schaub

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design…

Machine Learning · Computer Science 2023-03-01 Harsh Vardhan , Peter Volgyesi , Janos Sztipanovits