arXiv:2609.22342v1 Announce Type: cross Abstract: Neural networks provide expressive representations for scientific computing. However, even sufficiently expressive networks can suffer training failu...
arXiv:2609.06307v1 Announce Type: cross Abstract: We study variational quantum distribution learning through a hierarchy of Walsh--Fourier approximations on the Boolean cube. At each level, a selecte...
arXiv:2609.39164v1 Announce Type: new Abstract: Score-based variational inference (VI) provides an alternative to Kullback--Leibler (KL)-based VI by minimizing the Fisher divergence between the varia...
arXiv:2609.13819v1 Announce Type: new Abstract: Solving inverse problems with differentiable physics simulators holds the potential to revolutionize scientific discovery and engineering design, as it...
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.
arXiv:2609.00488v1 Announce Type: new Abstract: Machine learning interatomic potentials bridge the gap between quantum chemical precision and classical computational speed, enabling molecular dynamic...
The paper introduces a neural‑network method that learns a minimal‑deviation transformation of Monte Carlo simulated events to match one‑dimensional target distributions while preserving the multidimensional correlation structure of the original simulation. By operating under limited experimental information, the approach avoids the pitfalls of traditional one‑dimensional reweighting and the data‑hungry fully multidimensional corrections. Controlled pseudo‑data studies demonstrate improved agreement with target distributions and consistent multidimensional structure, making the method suitable for complex, high‑dimensional analyses where conventional techniques fall short.
arXiv:2504. 03626v2 Announce Type: replace-cross Abstract: We present quantum speedups for sampling from distributions of the form $\pi\propto e^{-f}$ on $\mathbb{R}^d$.
arXiv:2605. 00330v2 Announce Type: replace Abstract: Operator learning enables fast surrogate modeling of high-dimensional dynamical systems, but existing approaches face two fundamental limitations: quadratic inference complexity and unreliable uncertainty quantification in safety-critical settings.
arXiv:2607. 05000v1 Announce Type: cross Abstract: Canonical quantization provides a systematic procedure for constructing quantum models from classical Hamiltonians.
Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions. Among NQS parameterizations, autoregressive models are especially attractive because they enable exact, independent sampling from the Born distribution, avoiding the autocorrelation and mixing issues of Markov chain methods.
arXiv:2606. 17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling.