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In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…

Numerical Analysis · Mathematics 2015-11-20 Xiaoying Dai , Zhuang Liu , Xin Zhang , Aihui Zhou

We suggest a general oracle-based framework that captures different parallel stochastic optimization settings described by a dependency graph, and derive generic lower bounds in terms of this graph. We then use the framework and derive…

Optimization and Control · Mathematics 2019-02-12 Blake Woodworth , Jialei Wang , Adam Smith , Brendan McMahan , Nathan Srebro

Manual parallelization of code remains a significant challenge due to the complexities of modern software systems and the widespread adoption of multi-core architectures. This paper introduces OMPar, an AI-driven tool designed to automate…

Computation and Language · Computer Science 2024-09-24 Tal Kadosh , Niranjan Hasabnis , Prema Soundararajan , Vy A. Vo , Mihai Capota , Nesreen Ahmed , Yuval Pinter , Gal Oren

We introduce an object-oriented framework for parallel programming, which is based on the observation that programming objects can be naturally interpreted as processes. A parallel program consists of a collection of persistent processes…

Programming Languages · Computer Science 2014-04-21 Edward Givelberg

The sequential parameter optimization (SPOT) package for R is a toolbox for tuning and understanding simulation and optimization algorithms. Model-based investigations are common approaches in simulation and optimization. Sequential…

Neural and Evolutionary Computing · Computer Science 2010-06-25 Thomas Bartz-Beielstein

Large Language Models (LLMs) show promise for automated code optimization but struggle without performance context. This work introduces Opal, a modular framework that connects performance analytics insights with the vast body of published…

Performance · Computer Science 2025-10-02 Mohammad Zaeed , Tanzima Z. Islam , Vladimir Inđić

We consider convex stochastic optimization problems under different assumptions on the properties of available stochastic subgradient. It is known that, if the value of the objective function is available, one can obtain, in parallel,…

Optimization and Control · Mathematics 2017-01-19 Pavel Dvurechensky , Alexander Gasnikov , Anastasia Lagunovskaya

Particle accelerators are invaluable tools for research in the basic and applied sciences, in fields such as materials science, chemistry, the biosciences, particle physics, nuclear physics and medicine. The design, commissioning, and…

Accelerator Physics · Physics 2019-02-26 N. Neveu , L. Spentzouris , A. Adelmann , Y. Ineichen , A. Kolano , C. Metzger-Kraus , C. Bekas , A. Curioni , P. Arbenz

The last improvements in programming languages, programming models, and frameworks have focused on abstracting the users from many programming issues. Among others, recent programming frameworks include simpler syntax, automatic memory…

Programming Languages · Computer Science 2018-10-29 Cristian Ramon-Cortes , Ramon Amela , Jorge Ejarque , Philippe Clauss , Rosa M. Badia

Parametric linear programming is a central operation for polyhedral computations, as well as in certain control applications.Here we propose a task-based scheme for parallelizing it, with quasi-linear speedup over large problems.This type…

Computational Geometry · Computer Science 2020-10-01 Camille Coti , David Monniaux , Hang Yu

Evaluating how well a whole system or set of subsystems performs is one of the primary objectives of performance testing. We can tell via performance assessment if the architecture implementation meets the design objectives. Performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-15 Donald Ene Vincent Ike Anireh

Inference-time scaling has emerged as a powerful technique for enhancing the reasoning performance of Large Language Models (LLMs). However, existing approaches often rely on heuristic strategies for parallel sampling, lacking a principled…

Machine Learning · Computer Science 2025-12-22 Youkang Wang , Jian Wang , Rubing Chen , Xiao-Yong Wei

Optimization problems are central to many important cross-disciplinary applications.In their conventional implementations, the sequential nature of operations imposes strict limitations on the computational efficiency. Here, we discuss how…

Disordered Systems and Neural Networks · Physics 2025-10-09 Ghazi Sarwat Syed , Philipp Schmidt , Frank Brückerhoff-Plückelmann , Jelle Dijkstra , Wolfram H. P Pernice , Abu Sebastian

The approximate minimum degree algorithm is widely used before numerical factorization to reduce fill-in for sparse matrices. While considerable attention has been given to the numerical factorization process, less focus has been placed on…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-26 Yen-Hsiang Chang , Aydın Buluç , James Demmel

In the area of Pattern Recognition and Matching, finding a Longest Common Subsequence plays an important role. In this paper, we have proposed one algorithm based on parallel computation. We have used OpenMP API package as middleware to…

Data Structures and Algorithms · Computer Science 2013-06-20 Tirtharaj Dash , Tanistha Nayak

The Jaya R package offers a robust and versatile implementation of the parameter-free Jaya optimization algorithm, suitable for solving both single-objective and multi-objective optimization problems. By integrating advanced features such…

Mathematical Software · Computer Science 2024-11-26 Neeraj Dhanraj Bokde

The R ecosystem offers a rich variety of map-reduce application programming interfaces (APIs) for iterative computations, yet parallelizing code across these diverse frameworks requires learning multiple, often incompatible, parallel APIs.…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-27 Henrik Bengtsson

Optimal multiple sequence alignment by dynamic programming, like many highly dimensional scientific computing problems, has failed to benefit from the improvements in computing performance brought about by multi-processor systems, due to…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Manal Helal , Hossam El-Gindy , Lenore Mullin , Bruno Gaeta

R is a robust open-source programming language mainly used for statistical computing . Many areas of statistical research are experiencing rapid growth in the size of data sets. Methodological advances drive increased use of simulations. A…

Programming Languages · Computer Science 2019-04-10 Rahim K. Charania

Maximizing parallelism level in applications can be achieved by minimizing overheads due to load imbalances and waiting time due to memory latencies. Compiler optimization is one of the most effective solutions to tackle this problem. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-03-29 Zahra Khatami , Hartmut Kaiser , J. Ramanujam