English
Related papers

Related papers: Selected Machine Learning of HOMO-LUMO gaps with I…

200 papers

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

Quantum Machine Learning (QML) models are aimed at learning from data encoded in quantum states. Recently, it has been shown that models with little to no inductive biases (i.e., with no assumptions about the problem embedded in the model)…

Quantum Machine Learning (QML) shows how it maintains certain significant advantages over machine learning methods. It now shows that hybrid quantum methods have great scope for deployment and optimisation, and hold promise for future…

Machine Learning · Computer Science 2023-01-03 Juan Kenyhy Hancco-Quispe , Jordan Piero Borda-Colque , Fred Torres-Cruz

The advent of quantum computing has opened new possibilities in data science, offering unique capabilities for addressing complex, data-intensive problems. Traditional machine learning algorithms often face challenges in high-dimensional or…

Quantum Physics · Physics 2025-02-13 Sanjeev Naguleswaran

Quantum computing, with its ability to do exponentially faster computation compared to classical systems, has found novel applications in various fields such as machine learning and recommendation systems. Quantum Machine Learning (QML),…

Information Retrieval · Computer Science 2025-08-22 Amir Kermanshahani , Ebrahim Ardeshir-Larijani , Rakesh Saini , Saif Al-Kuwari

We present a machine learning (ML) framework for predicting Green's functions of molecular systems, from which photoemission spectra and quasiparticle energies at quantum many-body level can be obtained. Kernel ridge regression is adopted…

Chemical Physics · Physics 2023-12-05 Christian Venturella , Christopher Hillenbrand , Jiachen Li , Tianyu Zhu

Quantum machine learning (QML) is a promising early use case for quantum computing. There has been progress in the last five years from theoretical studies and numerical simulations to proof of concepts. Use cases demonstrated on…

Quantum Physics · Physics 2024-04-30 Daniel Goldsmith , M M Hassan Mahmud

Is there a way for a designer to evaluate the performance of a given hood frame geometry without spending significant time on simulation setup? This paper seeks to address this challenge by developing a multimodal machine-learning (MMML)…

Machine Learning · Computer Science 2025-09-16 Abhishek Indupally , Satchit Ramnath

The design of high-entropy alloys (HEA) with desired properties is challenging due to their large compositional space. While various machine learning (ML) models can predict specific HEA solid-solution phases (SS), predicting high-entropy…

Materials Science · Physics 2023-06-27 Jie Qi , Diego Ibarra Hoyos , S. Joseph Poon

Quantum Machine Learning (QML) offers a new paradigm for addressing complex financial problems intractable for classical methods. This work specifically tackles the challenge of few-shot credit risk assessment, a critical issue in inclusive…

Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the tradeoff between accuracy and computational cost. Here, we assess multiple ML approaches for predicting the atomization…

Computational Physics · Physics 2022-02-15 Logan Ward , Ben Blaiszik , Ian Foster , Rajeev S. Assary , Badri Narayanan , Larry Curtiss

Quantum machine learning (QML) holds promise for accelerating pattern recognition, optimization, and data analysis, but the conditions under which it can truly outperform classical approaches remain unclear. Existing research often…

Quantum Physics · Physics 2025-09-23 Christophe Pere

We introduce an unsupervised clustering algorithm to improve training efficiency and accuracy in predicting energies using molecular-orbital-based machine learning (MOB-ML). This work determines clusters via the Gaussian mixture model (GMM)…

Chemical Physics · Physics 2023-03-28 Lixue Cheng , Jiace Sun , Thomas F. Miller

One of the most promising areas of research to obtain practical advantage is Quantum Machine Learning which was born as a result of cross-fertilisation of ideas between Quantum Computing and Classical Machine Learning. In this paper, we…

Quantum Physics · Physics 2021-11-08 N. Schetakis , D. Aghamalyan , M. Boguslavsky , P. Griffin

Quantum Machine Learning (QML) is considered one of the most promising applications of Quantum Computing in the Noisy Intermediate Scale Quantum (NISQ) era for the impact it is thought to have in the near future. Although promising…

Quantum Physics · Physics 2025-08-22 Valeria Repetto , Elia Giuseppe Ceroni , Giuseppe Buonaiuto , Romina D'Aurizio

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Hybrid Quantum-Classical Machine Learning (ML) is an emerging field, amalgamating the strengths of both classical neural networks and quantum variational circuits on the current noisy intermediate-scale quantum devices. This paper performs…

Quantum Machine Learning (QML) is the intersection of two revolutionary fields: quantum computing and machine learning. It promises to unlock unparalleled capabilities in data analysis, model building, and problem-solving by harnessing the…

Digital Libraries · Computer Science 2025-04-11 Riya Bansal , Nikhil Kumar Rajput

Quantum Machine Learning (QML) holds the promise of enhancing machine learning modeling in terms of both complexity and accuracy. A key challenge in this domain is the encoding of input data, which plays a pivotal role in determining the…

Quantum computing combined with machine learning (ML) is a highly promising research area, with numerous studies demonstrating that quantum machine learning (QML) is expected to solve scientific problems more effectively than classical ML.…

Quantum Physics · Physics 2025-07-18 Liang Zhang , Yin Xu , Mohan Wu , Liang Wang , Hua Xu
‹ Prev 1 3 4 5 6 7 10 Next ›