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The purpose of this paper is to introduce Condensed-Matter-Laboratory (CML) application for simulating solids and nanostructures and calculating different properties of them by density functional theory and using Green's function theory in…

Mesoscale and Nanoscale Physics · Physics 2016-05-30 Mohammad Nakhaee , S Ahmad Ketabi , Saeed Amiri , M Ali M Keshtan , Mahmoud Moallem , Elham Rahmati , M Taher Pakbaz

The CLP scheme uses Horn clauses and SLD resolution to generate multiple constraint satisfaction problems (CSPs). The possible CSPs include rational trees (giving Prolog) and numerical algorithms for solving linear equations and linear…

Programming Languages · Computer Science 2010-02-09 M. H. van Emden

Making good predictions of a physical system using a computer code requires the inputs to be carefully specified. Some of these inputs called control variables have to reproduce physical conditions whereas other inputs, called parameters,…

Computation · Statistics 2018-04-04 Guillaume Damblin , Pierre Barbillon , Merlin Keller , Alberto Pasanisi , Eric Parent

An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++…

Mathematical Software · Computer Science 2012-05-17 Roger P. Pawlowski , Eric T. Phipps , Andrew G. Salinger

The synthesis approaches for quantum circuits typically aim at minimizing the number of lines or gates. Given the tight restrictions on those logical resources in physical implementations, we propose to view the problem fundamentally…

Emerging Technologies · Computer Science 2023-02-03 Niels Gleinig , Tobias Rohner , Torsten Hoefler

Computational chemistry is the leading application to demonstrate the advantage of quantum computing in the near term. However, large-scale simulation of chemical systems on quantum computers is currently hindered due to a mismatch between…

Quantum Physics · Physics 2021-05-18 Gushu Li , Yunong Shi , Ali Javadi-Abhari

Efficient methods for the simulation of quantum circuits on classic computers are crucial for their analysis due to the exponential growth of the problem size with the number of qubits. Here we study lumping methods based on bisimulation,…

Many reasoning, planning, and problem-solving tasks share an intrinsic algorithmic nature: correctly simulating each step is a sufficient condition to solve them correctly. This work studies to what extent Large Language Models (LLMs) can…

Implementing a quantum circuit on specific hardware with a reduced available gate set is often associated with a substantial increase in the length of the equivalent circuit. This process is also known as transpilation and due to…

Quantum Physics · Physics 2025-02-21 Bodo Rosenhahn , Tobias J. Osborne , Christoph Hirche

Quantum computing is a promising paradigm that may overcome the current computational power bottlenecks. The increasing maturity of quantum processors provides more possibilities for the development and implementation of quantum algorithms.…

Quantum Physics · Physics 2025-10-15 Ge Yan , Wenjie Wu , Yuheng Chen , Kaisen Pan , Xudong Lu , Zixiang Zhou , Yuhan Wang , Ruocheng Wang , Junchi Yan

Approximation errors must be taken into account when compiling quantum programs into a low-level gate set. We present a methodology that tracks such errors automatically and then optimizes accuracy parameters to guarantee a specified…

Quantum Physics · Physics 2021-01-06 Giulia Meuli , Mathias Soeken , Martin Roetteler , Thomas Häner

Background: Extracting the stages that structure Machine Learning (ML) pipelines from source code is key for gaining a deeper understanding of data science practices. However, the diversity caused by the constant evolution of the ML…

Software Engineering · Computer Science 2026-01-08 Nicolas Lacroix , Mireille Blay-Fornarino , Sébastien Mosser , Frederic Precioso

Frank-Wolfe algorithms for convex minimization have recently gained considerable attention from the Optimization and Machine Learning communities, as their properties make them a suitable choice in a variety of applications. However, as…

Machine Learning · Statistics 2015-10-27 Emanuele Frandi , Ricardo Nanculef , Johan Suykens

Approximate computing is an attractive paradigm for reducing the design complexity of error-resilient systems, therefore improving performance and saving power consumption. In this work, we propose a new two-level approximate logic…

Other Computer Science · Computer Science 2022-01-25 Gabriel Ammes , Walter Lau Neto , Paulo Butzen , Pierre-Emmanuel Gaillardon , Renato P. Ribas

With the rising popularity of Large Language Models (LLMs), there has been an increasing interest in compression techniques that enable their efficient deployment. This study focuses on the Post-Training Quantization (PTQ) of LLMs. Drawing…

Machine Learning · Statistics 2023-12-04 Kayhan Behdin , Ayan Acharya , Aman Gupta , Qingquan Song , Siyu Zhu , Sathiya Keerthi , Rahul Mazumder

We propose a novel method to calculate logical error rates in surface codes, assuming independent and identically distributed physical errors. We show how to use our method to analyze hypothetical quantum computers with various…

Quantum Physics · Physics 2026-05-06 Shaked Regev , Daniel Dilley , Andrea Delgado , Ryan Bennink

Short-length Reed--Muller codes under majority-logic decoding are of particular importance for efficient hardware implementations in real-time and embedded systems. This paper significantly improves Chen's two-step majority-logic decoding…

Information Theory · Computer Science 2013-10-17 Peter Hauck , Michael Huber , Juliane Bertram , Dennis Brauchle , Sebastian Ziesche

The rapid scaling of Large Language Models (LLMs) elevates inference costs and compounds substantial deployment barriers. While quantization to 8 or 4 bits mitigates this, sub-3-bit methods face severe accuracy, scalability, and efficiency…

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

Algorithm NCL is designed for general smooth optimization problems where first and second derivatives are available, including problems whose constraints may not be linearly independent at a solution (i.e., do not satisfy the LICQ). It is…

Optimization and Control · Mathematics 2021-01-27 Ding Ma , Dominique Orban , Michael A. Saunders