arXiv Machine Learning

Physically Constrained Ensemble Gaussian Process Modelling for Expensive Quantum Systems with Heteroskedastic Noise

arXiv:2606. 11240v1 Announce Type: cross Abstract: Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC) calculations.

arXiv Machine Learning
Jul 24

Machine-Learned Compact Subspace Generation for Quantum Selected Configuration Interaction within Density Matrix Embedding Framework

arXiv:2607. 20585v1 Announce Type: cross Abstract: Sample-based Quantum Diagonalization (SQD), an extension of Quantum Selected Configuration Interaction (QSCI), has emerged as a promising hybrid quantum-classical paradigm for computing molecular ground state energies.

By Ashish Kumar Patra, Anurag K. S. V., Ruchika Bhat, Sai Shankar P., Rahul Maitra, Jaiganesh G
arXiv Machine Learning
Jul 22

Enhanced NQS via Annealed Gradient Descent

arXiv:2607. 18865v1 Announce Type: cross Abstract: Neural quantum states offer expressive representations of quantum many-body wave functions, yet their practical accuracy can be limited by stochastic optimization rather than representational capacity.

By Shiwei Zhou, Yiming Huang, Xiao Yuan, Xiaoxia Cai
Hugging Face Trending Papers
6d ago

AutoQuREO: A Framework for Automated Quantum Resource Estimation and Optimization

As quantum computing progresses from proof-of-principle demonstrations toward practical utility, a significant impediment is the need to augment algorithmic feasibility with system-level optimization across heterogeneous hardware and software stacks. Quantum resource estimation (QRE) plays a central role in this transition, yet existing approaches remain largely compilation-heavy or domain-knowledge-guided symbolic annotations, and tightly coupled to long-term fault-tolerant assumptions, limiting their topical applicability.

arXiv AI
5d ago

AutoQuREO: A Framework for Automated Quantum Resource Estimation and Optimization

arXiv:2608. 12936v1 Announce Type: cross Abstract: As quantum computing progresses from proof-of-principle demonstrations toward practical utility, a significant impediment is the need to augment algorithmic feasibility with system-level optimization across heterogeneous hardware and software stacks.

By Harshkumar Oza, Aritra Sarkar, Syed Naqi Abbas, Rahul Bhowmick, Aryan Prakash, Prateek P Kulkarni, Krishna Kumar Sabapathy
arXiv Machine Learning
Aug 4

Adaptive Quantum Physics-Informed Neural Networks for Differential Equations with Applications to Fluid Dynamics

arXiv:2608. 00850v1 Announce Type: new Abstract: Physics-informed neural networks (PINNs) have emerged as a versatile approach for solving nonlinear partial differential equations (PDEs), yet achieving high accuracy efficiently using these techniques remains challenging for high-dimensional or multiscale systems.

By Fabio Pereira dos Santos, Renato Portugal, J\'ulio de Castro Vargas Fernandes, Lucas Timotheo Sanches
arXiv Machine Learning
Jun 2

Latent-Conditioned Parameterized Quantum Circuits as Universal Approximators for Distributions over Quantum States

arXiv:2605. 28690v2 Announce Type: replace-cross Abstract: Many applications in quantum simulation, quantum chemistry, and quantum machine learning require not a single quantum state but an ensemble of states characterizing the heterogeneity of a target system.

By Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo, Hirotaka Oshima
arXiv Machine Learning
Jul 24

An Analytically Trained Variational Surrogate for Quantum Phase Estimation on NISQ Hardware

arXiv:2607. 20943v1 Announce Type: cross Abstract: Quantum Phase Estimation (QPE) is a foundational algorithm for molecular ground-state energy estimation, but its deep circuit requirements make direct hardware execution impractical on Noisy Intermediate-Scale Quantum (NISQ) devices.

By Mousumi Kundu, Ashish Kumar Patra, Anurag K. S. V., Ruchika Bhat, Sai Shankar P., Alok Shukla, Jaiganesh G
arXiv AI
Jun 2

From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide Machine Learning Interatomic Potential Architectures

arXiv:2602. 04861v2 Announce Type: replace-cross Abstract: Machine Learning Interatomic Potentials (MLIPs) sometimes fail to reproduce the physical smoothness of the quantum potential energy surface (PES), leading to erroneous behavior in downstream simulations that standard energy and force regression evaluations can miss.

By Ryan Liu, Eric Qu, Tobias Kreiman, Samuel M. Blau, Aditi S. Krishnapriyan