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Large language models (LLMs) can generate code rapidly but remain unreliable for scientific algorithms whose correctness depends on structural assumptions rarely explicit in the source literature. We introduce a multi-stage LLM-assisted…

Computational Physics · Physics 2026-04-13 Yi Zhou

Reimplementing solutions to previously solved software engineering problems is not only inefficient but also introduces inadequate and error-prone code. Many existing methods achieve impressive performance on this issue by using…

Software Engineering · Computer Science 2022-10-04 Usama Nadeem , Noah Ziems , Shaoen Wu

Large Language Model (LLM) based coding tools have been tremendously successful as software development assistants, yet they are often designed for general purpose programming tasks and perform poorly for more specialized domains such as…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-20 Aman Chaturvedi , Daniel Nichols , Siddharth Singh , Abhinav Bhatele

As compute power increases with time, more involved and larger simulations become possible. However, it gets increasingly difficult to efficiently use the provided computational resources. Especially in particle-based simulations with a…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-05 Sebastian Eibl , Ulrich Rüde

Numerical solutions of partial differential equations enable a broad range of scientific research. The Dedalus Project is a flexible, open-source, parallelized computational framework for solving general partial differential equations using…

Instrumentation and Methods for Astrophysics · Physics 2020-04-29 Keaton J. Burns , Geoffrey M. Vasil , Jeffrey S. Oishi , Daniel Lecoanet , Benjamin P. Brown

This paper focuses on automated synthesis of divide-and-conquer parallelism, which is a common parallel programming skeleton supported by many cross-platform multithreaded libraries. The challenges of producing (manually or automatically) a…

Programming Languages · Computer Science 2017-01-31 Azadeh Farzan , Victor Nicolet

Emerging processor architectures such as GPUs and Intel MICs provide a huge performance potential for high performance computing. However developing software using these hardware accelerators introduces additional challenges for the…

Computational Physics · Physics 2016-09-21 Andreas Adelmann , Uldis Locans , Andreas Suter

Applying the method of moments to the chemical master equation (CME) appearing in stochastic chemical kinetics often leads to the so-called closure problem. Recently, several authors showed that this problem can be partially overcome using…

Probability · Mathematics 2018-08-24 Garrett R. Dowdy , Paul I. Barton

Datasets play a central role in the training and evaluation of machine learning (ML) models. But they are also the root cause of many undesired model behaviors, such as biased predictions. To overcome this situation, the ML community is…

Machine Learning · Computer Science 2024-01-23 Joan Giner-Miguelez , Abel Gómez , Jordi Cabot

In molecular dynamics (MD), systems are molecules made up of atoms, and the aim is to determine their evolution over time. MD is based on a numerical resolution algorithm, whose role is to apply the forces generated by the various…

Statistical Mechanics · Physics 2024-10-16 Frédéric Boussinot

This paper discusses a Domain Specific Language (DSL) that has been developed to enable implementation of concepts of discrete mathematics. A library of data types and functions provides functionality which is frequently required by users.…

Programming Languages · Computer Science 2013-10-15 Rohit Jha , Alfy Samuel , Ashmee Pawar , M. Kiruthika

Combinatorial optimization problems are prevalent across a wide variety of domains. These problems are often nuanced, their optimal solutions might not be efficiently obtainable, and they may require lots of time and compute resources to…

Machine Learning · Computer Science 2025-07-03 Akshay Sathiya , Rohit Pandey

Robot design optimization, imitation learning and system identification share a common problem which requires optimization over robot or task parameters at the same time as optimizing the robot motion. To solve these problems, we can use…

Robotics · Computer Science 2022-09-05 Traiko Dinev , Carlos Mastalli , Vladimir Ivan , Steve Tonneau , Sethu Vijayakumar

This paper introduces OptimizedDP, a high-performance software library for several common grid-based dynamic programming (DP) algorithms used in control theory and robotics. Specifically, OptimizedDP provides functions to numerically solve…

Systems and Control · Electrical Eng. & Systems 2025-11-21 Minh Bui , Hanyang Hu , Chong He , Michael Lu , George Giovanis , Arrvindh Shriraman , Mo Chen

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Machine Learning · Computer Science 2025-02-18 Hyosoon Jang , Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

For combinatorial optimization problems, model-based paradigms such as mixed-integer programming (MIP) and constraint programming (CP) aim to decouple modeling and solving a problem: the `holy grail' of declarative problem solving. We…

Artificial Intelligence · Computer Science 2026-03-13 Ryo Kuroiwa , J. Christopher Beck

Masked diffusion language models (MDLMs) have recently emerged as a new paradigm in language modeling, offering flexible generation dynamics and enabling efficient parallel decoding. However, existing decoding strategies for pre-trained…

Computation and Language · Computer Science 2026-03-17 Xueyu Zhou , Yangrong Hu , Jian Huang

The Sixth International Workshop on Domain-Specific Languages and Models for Robotic Systems (DSLRob'15) was held September 28, 2015 in Hamburg (Germany), as part of the IROS 2015 conference. The main topics of the workshop were…

Robotics · Computer Science 2016-01-21 Christian Schlegel , Ulrik Pagh Schultz , Serge Stinckwich , Sebastian Wrede

In recent years, SPDEs have become a well-studied field in mathematics. With their increase in popularity, it becomes important to efficiently approximate their solutions. Thus, our goal is a contribution towards the development of…

Numerical Analysis · Mathematics 2024-01-17 Evelyn Buckwar , Ana Djurdjevac , Monika Eisenmann

Differential Dynamic Programming is an optimal control technique often used for trajectory generation. Many variations of this algorithm have been developed in the literature, including algorithms for stochastic dynamics or state and input…

Optimization and Control · Mathematics 2022-05-26 Dennis Gramlich , Carsten W. Scherer , Christian Ebenbauer