{"title":"TorchQC -一个在量子动力学和控制中有效集成机器和深度学习方法的框架","authors":"Dimitris Koutromanos, Dionisis Stefanatos, Emmanuel Paspalakis","doi":"10.1016/j.cpc.2025.109505","DOIUrl":null,"url":null,"abstract":"<div><div>Machine learning has been revolutionizing our world over the last few years and is also increasingly exploited in several areas of physics, including quantum dynamics and control. The need for a framework that brings together machine learning models and quantum simulation methods has been quite high within the quantum control field, with the ultimate goal of exploiting these powerful computational methods for the efficient implementation of modern quantum technologies. The existing frameworks for quantum system simulations, such as QuTip and QuantumOptics.jl, even though they are very successful in simulating quantum dynamics, cannot be easily incorporated into the platforms used for the development of machine learning models, like for example PyTorch. The TorchQC framework introduced in the present work comes exactly to fill this gap. It is a new library written entirely in Python and based on the PyTorch deep learning library. PyTorch and other deep learning frameworks are based on tensors, a structure that is also used in quantum mechanics. This is the common ground that TorchQC utilizes to combine quantum physics simulations and deep learning models. TorchQC exploits PyTorch and its tensor mechanism to represent quantum states and operators as tensors, while it also incorporates all the tools needed to simulate quantum system dynamics. All necessary operations are internal in the PyTorch library, thus TorchQC programs can be executed in GPUs, substantially reducing the simulation time. We believe that the proposed TorchQC library has the potential to accelerate the development of deep learning models directly incorporating quantum simulations, enabling the easier integration of these powerful techniques in modern quantum technologies.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"310 ","pages":"Article 109505"},"PeriodicalIF":3.4000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"TorchQC - A framework for efficiently integrating machine and deep learning methods in quantum dynamics and control\",\"authors\":\"Dimitris Koutromanos, Dionisis Stefanatos, Emmanuel Paspalakis\",\"doi\":\"10.1016/j.cpc.2025.109505\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Machine learning has been revolutionizing our world over the last few years and is also increasingly exploited in several areas of physics, including quantum dynamics and control. The need for a framework that brings together machine learning models and quantum simulation methods has been quite high within the quantum control field, with the ultimate goal of exploiting these powerful computational methods for the efficient implementation of modern quantum technologies. The existing frameworks for quantum system simulations, such as QuTip and QuantumOptics.jl, even though they are very successful in simulating quantum dynamics, cannot be easily incorporated into the platforms used for the development of machine learning models, like for example PyTorch. The TorchQC framework introduced in the present work comes exactly to fill this gap. It is a new library written entirely in Python and based on the PyTorch deep learning library. PyTorch and other deep learning frameworks are based on tensors, a structure that is also used in quantum mechanics. This is the common ground that TorchQC utilizes to combine quantum physics simulations and deep learning models. TorchQC exploits PyTorch and its tensor mechanism to represent quantum states and operators as tensors, while it also incorporates all the tools needed to simulate quantum system dynamics. All necessary operations are internal in the PyTorch library, thus TorchQC programs can be executed in GPUs, substantially reducing the simulation time. We believe that the proposed TorchQC library has the potential to accelerate the development of deep learning models directly incorporating quantum simulations, enabling the easier integration of these powerful techniques in modern quantum technologies.</div></div>\",\"PeriodicalId\":285,\"journal\":{\"name\":\"Computer Physics Communications\",\"volume\":\"310 \",\"pages\":\"Article 109505\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2025-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computer Physics Communications\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0010465525000086\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/1/17 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465525000086","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/17 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
TorchQC - A framework for efficiently integrating machine and deep learning methods in quantum dynamics and control
Machine learning has been revolutionizing our world over the last few years and is also increasingly exploited in several areas of physics, including quantum dynamics and control. The need for a framework that brings together machine learning models and quantum simulation methods has been quite high within the quantum control field, with the ultimate goal of exploiting these powerful computational methods for the efficient implementation of modern quantum technologies. The existing frameworks for quantum system simulations, such as QuTip and QuantumOptics.jl, even though they are very successful in simulating quantum dynamics, cannot be easily incorporated into the platforms used for the development of machine learning models, like for example PyTorch. The TorchQC framework introduced in the present work comes exactly to fill this gap. It is a new library written entirely in Python and based on the PyTorch deep learning library. PyTorch and other deep learning frameworks are based on tensors, a structure that is also used in quantum mechanics. This is the common ground that TorchQC utilizes to combine quantum physics simulations and deep learning models. TorchQC exploits PyTorch and its tensor mechanism to represent quantum states and operators as tensors, while it also incorporates all the tools needed to simulate quantum system dynamics. All necessary operations are internal in the PyTorch library, thus TorchQC programs can be executed in GPUs, substantially reducing the simulation time. We believe that the proposed TorchQC library has the potential to accelerate the development of deep learning models directly incorporating quantum simulations, enabling the easier integration of these powerful techniques in modern quantum technologies.
期刊介绍:
The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper.
Computer Programs in Physics (CPiP)
These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged.
Computational Physics Papers (CP)
These are research papers in, but are not limited to, the following themes across computational physics and related disciplines.
mathematical and numerical methods and algorithms;
computational models including those associated with the design, control and analysis of experiments; and
algebraic computation.
Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.