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Quantum computing (QC) has experienced rapid growth in recent years with the advent of robust programming environments, readily accessible software simulators and cloud-based QC hardware platforms, and growing interest in learning how to…

Quantum Physics · Physics 2026-01-14 E. Wes Bethel , Roel Van Beeumen , Talita Perciano

Large language models(LLMs) are increasingly expanding their real-world applications across domains, e.g., question answering, autonomous driving, and automatic software development. Despite this achievement, LLMs, as data-driven systems,…

Artificial Intelligence · Computer Science 2025-12-09 Xianzong Wu , Xiaohong Li , Lili Quan , Qiang Hu

Assessing the validity of user simulators when used for the evaluation of information retrieval systems remains an open question, constraining their effective use and the reliability of simulation-based results. To address this issue, we…

Information Retrieval · Computer Science 2026-01-19 Andreas Konstantin Kruff , Nolwenn Bernard , Philipp Schaer

We present symQV, a symbolic execution framework for writing and verifying quantum computations in the quantum circuit model. symQV can automatically verify that a quantum program complies with a first-order specification. We formally…

Quantum Physics · Physics 2023-03-14 Fabian Bauer-Marquart , Stefan Leue , Christian Schilling

Uncertainty Quantification (UQ) is vital to safety-critical model-based analyses, but the widespread adoption of sophisticated UQ methods is limited by technical complexity. In this paper, we introduce UM-Bridge (the UQ and Modeling…

Summary: More sophisticated models are needed to address problems in bioscience, synthetic biology, and precision medicine. To help facilitate the collaboration needed for such models, the community developed the Simulation Experiment…

Continual memory augmentation lets computer-using agents (CUAs) learn from prior interactions, but unvetted memories can encode domain-inappropriate or unsafe heuristics--spurious rules that drift from user intent and safety constraints. We…

Machine Learning · Computer Science 2025-08-11 Thong Q. Nguyen , Shubhang Desai , Raja Hasnain Anwar , Firoz Shaik , Vishwas Suryanarayanan , Vishal Chowdhary

We introduce \textsc{qcmath}, a user-friendly quantum chemistry software tailored for electronic structure calculations, implemented using the Wolfram Mathematica language and available at \url{https://github.com/LCPQ/qcmath}. This…

Chemical Physics · Physics 2023-09-01 Enzo Monino , Antoine Marie , Pierre-François Loos

Over the past 27 years, quantum computing has seen a huge rise in interest from both academia and industry. At the current rate, quantum computers are growing in size rapidly backed up by the increase of research in the field. Significant…

Logic in Computer Science · Computer Science 2024-02-15 Marco Lewis , Sadegh Soudjani , Paolo Zuliani

We extended our simulation tool Ntccrt for probabilistic ntcc (pntcc) models. In addition, we developed a verification tool for pntcc models. Using this tool we can prove properties such as the system will go to a successful state with…

Logic in Computer Science · Computer Science 2018-10-15 Mauricio Toro

We introduce GQA, a new dataset for real-world visual reasoning and compositional question answering, seeking to address key shortcomings of previous VQA datasets. We have developed a strong and robust question engine that leverages scene…

Computation and Language · Computer Science 2019-07-12 Drew A. Hudson , Christopher D. Manning

We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorithms for chemistry have matured considerably, the…

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…

The Statistical Toolkit is an open source system specialized in the statistical comparison of distributions. It addresses requirements common to different experimental domains, such as simulation validation (e.g. comparison of experimental…

Computational Physics · Physics 2015-06-11 M Batic , A. M. Paganoni , A. Pfeiffer , M. G. Pia , A. Ribon

We present SilVer (Silq Verification), an automated tool for verifying behaviors of quantum programs written in Silq, which is a high-level programming language for quantum computing. The goal of the verification is to ensure correctness of…

Quantum Physics · Physics 2024-09-11 Marco Lewis , Paolo Zuliani , Sadegh Soudjani

The ever-increasing complexity of HW/SW systems presents a persistent challenge, particularly in safety-critical domains like automotive, where extensive testing is imperative. However, the availability of hardware often lags behind,…

Software Engineering · Computer Science 2025-06-13 Lukas Jünger , Jan Henrik Weinstock , Tim Kraus

The Best Estimate plus Uncertainty (BEPU) approach for nuclear systems modeling and simulation requires that the prediction uncertainty must be quantified in order to prove that the investigated design stays within acceptance criteria. A…

Computation · Statistics 2023-03-24 Ziyu Xie , Farah Alsafadi , Xu Wu

We describe a computational framework linking Uncertainty Quantification (UQ) methods for continuum problems depending on random parameters with Equation-Free (EF) methods for performing continuum deterministic numerics by acting directly…

Dynamical Systems · Mathematics 2007-05-23 Yu Zou , Ioannis G. Kevrekidis

We describe our ongoing work and view on simulation, validation and visualization of cyber-physical systems in industrial automation during development, operation and maintenance. System models may represent an existing physical part - for…

Software Engineering · Computer Science 2014-10-07 Jan Olaf Blech , Maria Spichkova , Ian Peake , Heinz Schmidt