Quantum Model-Discovery
Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization. Many problems appearing in science and engineering can be rewritten as a set of differential equations. Quantum algorithms for solving differential equations have shown a provable advantage in the fault-tolerant quantum computing regime, where deep and wide quantum circuits can be used to solve large linear systems like partial differential equations (PDEs) efficiently. Recently, variational approaches to solving non-linear PDEs also with near-term quantum devices were proposed. One of the most promising general approaches is based on recent developments in the field of scientific machine learning for solving PDEs. We extend the applicability of near-term quantum computers to more general scientific machine learning tasks, including the discovery of differential equations from a dataset of measurements. We use differentiable quantum circuits (DQCs) to solve equations parameterized by a library of operators, and perform regression on a combination of data and equations. Our results show a promising path to Quantum Model Discovery (QMoD), on the interface between classical and quantum machine learning approaches. We demonstrate successful parameter inference and equation discovery using QMoD on different systems including a second-order, ordinary differential equation and a non-linear, partial differential equation.
Code (0)
등록된 구현이 없습니다.
Tasks
BIG-bench Machine LearningEquation DiscoverymodelModel DiscoveryQuantum Machine LearningMethods 이 논문이 사용한 방법론
Similar Papers 제목 키워드 기반
Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries
The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks …
Drug DiscoveryMolecular Property PredictionProperty PredictionQuantum Machine LearningQuantum-machine-assisted Drug Discovery: Survey and Perspective
Drug discovery and development is a highly complex and costly endeavor, typically requiring over a decade and substantial financial investment to bring a new drug to market. Traditional computer-aided drug design (CADD) …
Drug DesignDrug DiscoverySurveyAutomated near-term quantum algorithm discovery for molecular ground states
Designing quantum algorithms is a complex and counterintuitive task, making it an ideal candidate for AI-driven algorithm discovery. To this end, we employ the Hive, an AI platform for program synthesis, which utilises l…
Program SynthesisQuantum QSAR for drug discovery
Quantitative Structure-Activity Relationship (QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This researc…
Drug DiscoveryQuantum Agents for Algorithmic Discovery
We introduce quantum agents trained by episodic, reward-based reinforcement learning to autonomously rediscover several seminal quantum algorithms and protocols. In particular, our agents learn: efficient logarithmic-dep…
Reinforcement Learning