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High-throughput $ab$ $initio$ calculations are the indispensable parts of data-driven discovery of new materials with desirable properties, as reflected in the establishment of several online material databases. The accumulation of…

Computational Physics · Physics 2024-07-30 Niraj K. Nepal , Paul C. Canfield , Lin-Lin Wang

As high-performance computing and AI workloads become increasingly dependent on GPUs, maintaining high performance across rapidly evolving hardware generations has become a major challenge. Developers often spend months tuning scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-14 Daniel Nichols , Konstantinos Parasyris , Caetano Melone , Tal Ben-Nun , Giorgis Georgakoudis , Harshitha Menon

It is well known that the behavior of dense linear algebra algorithms is greatly influenced by factors like target architecture, underlying libraries and even problem size; because of this, the accurate prediction of their performance is a…

Mathematical Software · Computer Science 2012-12-11 Elmar Peise , Paolo Bientinesi

This paper considers how to fuse Machine Learning (ML) and optimization to solve large-scale Supply Chain Planning (SCP) optimization problems. These problems can be formulated as MIP models which feature both integer (non-binary) and…

Machine Learning · Computer Science 2025-04-11 Vahid Eghbal Akhlaghi , Reza Zandehshahvar , Pascal Van Hentenryck

In this work, we present a new approach to high level synthesis (HLS), where high level functions are first mapped to an architectural template, before hardware synthesis is performed. As FPGA platforms are especially suitable for…

Hardware Architecture · Computer Science 2016-06-22 Shaoyi Cheng , John Wawrzynek

It is well known that closed-form analytical solutions for AC power flow equations do not exist in general. This paper proposes a multi-dimensional holomorphic embedding method (MDHEM) to obtain an explicit approximate analytical AC…

Systems and Control · Computer Science 2019-03-26 Chengxi Liu , Bin Wang , Xin Xu , Kai Sun , Claus Leth Bak

Alternating-Current Optimal Power Flow (AC-OPF) is framed as a NP-hard non-convex optimization problem that solves for the most economical dispatch of grid generation given the AC-network and device constraints. Although there are no…

Optimization and Control · Mathematics 2023-08-29 Amritanshu Pandey , Aayushya Agarwal , Larry Pileggi

Topology diagrams are widely seen in power system applications, but their automatic generation is often easier said than done. When facing power transmission systems with strongly-meshed structures, existing approaches can hardly produce…

Systems and Control · Electrical Eng. & Systems 2023-03-21 Jingyu Wang , Jinfu Chen , Dongyuan Shi , Xianzhong Duan

While deep learning has celebrated many successes, its results often hinge on the meticulous selection of hyperparameters (HPs). However, the time-consuming nature of deep learning training makes HP optimization (HPO) a costly endeavor,…

Artificial Intelligence · Computer Science 2024-08-20 Shuhei Watanabe , Neeratyoy Mallik , Edward Bergman , Frank Hutter

This work presents an effort to bridge the gap between abstract high level programming and OpenCL by extending an existing high level Java programming framework (APARAPI), based on OpenCL, so that it can be used to program FPGAs at a high…

Performance · Computer Science 2014-08-22 Oren Segal , Martin Margala , Sai Rahul Chalamalasetti , Mitch Wright

This non-conventional paper represents the first attempt to uncover a possible vulnerability in some proposals for optical network designs and performance comparisons. While optical network designs and planning lie at the heart of achieving…

Networking and Internet Architecture · Computer Science 2021-09-28 Dao Thanh Hai

This paper proposes a method to embed the AC power flow problem with voltage magnitude constraints in the complex plane. Modeling the action of network controllers that regulate the magnitude of voltage phasors is a challenging task in the…

Systems and Control · Computer Science 2015-04-14 Sina S. Baghsorkhi , Sergey P. Suetin

Equations system constructors of hierarchical circuits play a central role in device modeling, nonlinear equations solving, and circuit design automation. However, existing constructors present limitations in applications to different…

Pose graph optimization is a non-convex optimization problem encountered in many areas of robotics perception. Its convergence to an accurate solution is conditioned by two factors: the non-linearity of the cost function in use and the…

Robotics · Computer Science 2022-07-05 Tiziano Guadagnino , Luca Di Giammarino , Giorgio Grisetti

Power efficiency is a critical design objective in modern microprocessor design. To evaluate the impact of architectural-level design decisions, an accurate yet efficient architecture-level power model is desired. However, widely adopted…

Machine Learning · Computer Science 2023-12-15 Qijun Zhang , Shiyu Li , Guanglei Zhou , Jingyu Pan , Chen-Chia Chang , Yiran Chen , Zhiyao Xie

During the past decade, Deep Learning (DL) algorithms, programming systems and hardware have converged with the High Performance Computing (HPC) counterparts. Nevertheless, the programming methodology of DL and HPC systems is stagnant,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-19 Evangelos Georganas , Dhiraj Kalamkar , Kirill Voronin , Abhisek Kundu , Antonio Noack , Hans Pabst , Alexander Breuer , Alexander Heinecke

A topological interlocking assembly is an arrangement of blocks, where all blocks are kinematically constrained by their neighboring blocks and a fixed frame. This concept has been known for a long time, attracting recent interest due to…

Materials Science · Physics 2025-12-04 Lukas Schnelle , Meike Weiß , Reymond Akpanya , Kai-Uwe Schröder , Alice C. Niemeyer

This paper presents hep-aid, a modular Python library conceived for utilising, implementing, and developing parameter scan algorithms. Originally devised for sample-efficient, multi-objective active search approaches in computationally…

High Energy Physics - Phenomenology · Physics 2024-12-24 Mauricio A. Diaz , Srinandan Dasmahapatra , Stefano Moretti

We present an efficient algorithmic framework for constructing multi-level hp-bases that uses a data-oriented approach that easily extends to any number of dimensions and provides a natural framework for performance-optimized…

Numerical Analysis · Mathematics 2022-09-27 Philipp Kopp , Ernst Rank , Victor M. Calo , Stefan Kollmannsberger

As machine learning permeates more industries and models become more expensive and time consuming to train, the need for efficient automated hyperparameter optimization (HPO) has never been more pressing. Multi-step planning based…

Machine Learning · Computer Science 2022-11-18 Lucio M. Dery , Abram L. Friesen , Nando De Freitas , Marc'Aurelio Ranzato , Yutian Chen