arXiv AI By Mahmud Ashraf Shamim, Md Moshiur Rahman Raj, Mohamed Hibat-Allah, Paulo T Araujo

Graph-Theoretic Analysis of Phase Optimization Complexity in Variational Wave Functions for Heisenberg Antiferromagnets

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arXiv AI
Oct 22

Graph-Theoretic Formulation of Hamiltonian and Ground-State Sign Structures in Heisenberg Antiferromagnets

The paper presents a graph-theoretic framework for analyzing Heisenberg antiferromagnets, where the Hamiltonian in a fixed-magnetization sector is represented as a constant minus the weighted Laplacian of a Hilbert graph (HG). The ground-state energy is linked to the largest eigenvalue of this Laplacian, equivalent to a spectral relaxation of weighted Max‑Cut on the HG, while the phase-dependent part of the variational energy maps to an antiferromagnetic XY model on the same graph. Restricting to real variational states reduces the problem to an Ising model, and the optimal sign structure of the ground state can be recovered in polynomial time from the HG weights, with the bipartiteness of the HG determining whether a diagonal sign transformation can eliminate all positive off-diagonal elements.

By Mahmud Ashraf Shamim, Md Moshiur Rahman Raj, Mohamed Hibat-Allah, Ruy Fabila-Monroy, Nobuchika Okada, Paulo T. Araujo
arXiv Machine Learning
Sep 22

Predicting magnetism with first-principles AI

arXiv:2602.09093v2 Announce Type: replace-cross Abstract: Computational discovery of magnetic materials remains challenging because magnetism arises from the competition between kinetic energy and Co...

By Max Geier, Liang Fu
arXiv Machine Learning
Oct 19

Learning angles for quantum approximate optimization

The paper presents a method for learning the mapping from combinatorial optimization problem instances to high‑quality variational angles for the Quantum Approximate Optimization Algorithm (QAOA). By training models that predict these angles, the authors replace the expensive per‑instance classical optimization with a single forward pass, achieving near‑identical solution quality while being several orders of magnitude faster. The learned models generalize to unseen graph topologies, and experiments on quantum hardware confirm that the sampled solutions are indistinguishable from those obtained with traditional solver‑derived angles.

By Johannes Jakubik, Isabelle Wittmann, Zaheed Gaffoor, Gciniwe Simphiwe Baloyi, Craig Mahlasi, Etienne Vos, Thomas Brunschwiler, Daniel J. Egger
arXiv Machine Learning
Jun 16

Learning ground state observables from quantum computing experiments

arXiv:2606. 15983v1 Announce Type: cross Abstract: Recent theoretical progress has established conditions under which machine learning models can efficiently predict ground-state properties of gapped local Hamiltonians when trained on quantum-generated data.

By Ben Jaderberg, Freya Shah, Minjun Jeon, M. Emre Sahin, Christa Zoufal, Kunal Sharma