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Understanding how molecules arrange on surfaces is fundamental to surface chemistry and essential for the rational design of catalytic and functional materials. In particular, the energetically most stable configuration provides valuable…

Chemical Physics · Physics 2025-07-29 Tuan Minh Do , Tomoya Shiota , Wataru Mizukami

While Model Predictive Control (MPC) delivers strong performance across robotics applications, solving the underlying (batches of) nonlinear trajectory optimization (TO) problems online remains computationally demanding. Existing…

Robotics · Computer Science 2026-05-11 Alexander Du , Emre Adabag , Gabriel Bravo-Palacios , Brian Plancher

Hybrid Tensor Networks (hTN) offer a promising solution for encoding variational quantum states beyond the capabilities of efficient classical methods or noisy quantum computers alone. However, their practical usefulness and many…

Binarized Neural Networks (BNNs) significantly reduce the computation and memory demands with binarized weights and activations compared to full-precision NNs. Executing a layer in a BNN on different devices of a heterogeneous…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-13 Leonard David Bereholschi , Ching-Chi Lin , Mikail Yayla , Jian-Jia Chen

The increasing complexity of industrial scheduling and transport routing problems motivates the study of alternative optimization formulations and computational paradigms. In this work, we study how higher-order unconstrained binary…

Many research works have been performed on implementation of Vitrerbi decoding algorithm on GPU instead of FPGA because this platform provides considerable flexibility in addition to great performance. Recently, the recently-introduced…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-30 Alireza Mohammadidoost , Matin Hashemi

This work presents a GPU-accelerated solver for the unit commitment (UC) problem in large-scale power grids. The solver uses the Primal-Dual Hybrid Gradient (PDHG) algorithm to efficiently solve the relaxed linear subproblem, achieving…

Optimization and Control · Mathematics 2025-12-09 Hussein Sharadga , Javad Mohammadi

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

Robust topology optimization (RTO), as a class of topology optimization problems, identifies a design with the best average performance while reducing the response sensitivity to input uncertainties, e.g. load uncertainty. Solving RTO is…

Machine Learning · Computer Science 2024-08-22 Rini Jasmine Gladstone , Mohammad Amin Nabian , Vahid Keshavarzzadeh , Hadi Meidani

A prominent approach to solving combinatorial optimization problems on parallel hardware is Ising machines, i.e., hardware implementations of networks of interacting binary spin variables. Most Ising machines leverage second-order…

Emerging Technologies · Computer Science 2022-12-08 Connor Bybee , Denis Kleyko , Dmitri E. Nikonov , Amir Khosrowshahi , Bruno A. Olshausen , Friedrich T. Sommer

In recent advances in solving the problem of transmission network expansion planning, the use of robust optimization techniques has been put forward, as an alternative to stochastic mathematical programming methods, to make the problem…

Computational Engineering, Finance, and Science · Computer Science 2016-09-28 Roberto Minguez , Raquel Garcia-Bertrand

The transformer is the most critical algorithm innovation of the Nature Language Processing (NLP) field in recent years. Unlike the Recurrent Neural Network (RNN) models, Transformers can process on dimensions of sequence lengths in…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-23 Jiarui Fang , Yang Yu , Chengduo Zhao , Jie Zhou

We introduce PyTorch Geometric High Order (PyGHO), a library for High Order Graph Neural Networks (HOGNNs) that extends PyTorch Geometric (PyG). Unlike ordinary Message Passing Neural Networks (MPNNs) that exchange messages between nodes,…

Machine Learning · Computer Science 2023-11-29 Xiyuan Wang , Muhan Zhang

Combinatorial optimization is considered a promising class of problems in which quantum computers can show significant advantages. However, problems of practical relevance typically have more variables than current or foreseeable quantum…

Quantum Physics · Physics 2025-12-23 Mathias Schmid , Naeimeh Mohseni , Michael J. Hartmann

Today, hardware constraints are an important limitation on quantum adiabatic optimization algorithms. Firstly, computational problems must be formulated as quadratic unconstrained binary optimization (QUBO) in the presence of noisy coupling…

Quantum Physics · Physics 2018-12-06 Andrew Lucas

Evolutionary computation is an important component within various fields such as artificial intelligence research, reinforcement learning, robotics, industrial automation and/or optimization, engineering design, etc. Considering the…

Neural and Evolutionary Computing · Computer Science 2023-05-23 Nihat Engin Toklu , Timothy Atkinson , Vojtěch Micka , Paweł Liskowski , Rupesh Kumar Srivastava

Recent advancements in quantum computing and quantum-inspired algorithms have sparked renewed interest in binary optimization. These hardware and software innovations promise to revolutionize solution times for complex problems. In this…

Many combinatorial optimization problems entail a number of hierarchically dependent optimization problems. An often used solution is to associate a suitably large cost with each individual optimization problem, such that the solution of…

Logic in Computer Science · Computer Science 2009-04-02 Josep Argelich , Ines Lynce , Joao Marques-Silva

Transformer models have revolutionized AI tasks, but their large size hinders real-world deployment on resource-constrained and latency-critical edge devices. While binarized Transformers offer a promising solution by significantly reducing…

Machine Learning · Computer Science 2025-05-13 Yuhao Ji , Chao Fang , Shaobo Ma , Haikuo Shao , Zhongfeng Wang

Applying quantum annealing or current quantum-/physics-inspired algorithms for MIMO detection always abandon the direct gray-coded bit-to-symbol mapping in order to obtain Ising form, leading to inconsistency errors. This often results in…

Computational Physics · Physics 2025-02-25 Qing-Guo Zeng , Xiao-Peng Cui , Xian-Zhe Tao , Jia-Qi Hu , Shi-Jie Pan , Wei E. I. Sha , Man-Hong Yung