arXiv Machine Learning

Inverse Critical Experiment Design via Gradient Optimization and a Multigroup Attention-Based Neural Network Architecture

arXiv:2606. 04033v1 Announce Type: new Abstract: The validation of advanced nuclear reactor designs and fuel concepts requires critical experiments with high neutronic similarity to the target technology.

arXiv AI
3d ago

PTNO: Training Neural Operators with Noisy Monte Carlo Estimates for Particle Transport Problems

The paper introduces PTNO, a neural operator that learns particle transport surrogates directly from noisy, low‑cost Monte Carlo (MC) labels, addressing high variance and high dynamic range challenges. By training on many noisy scenes, PTNO achieves comparable accuracy to converged MC while dramatically reducing computational cost, and it employs a softplus output and a pointwise relative L2 loss to handle HDR data. Experiments on neutron transport in fusion reactors and radiative transfer in participating media show speedups of up to 10⁵× and cost reductions of up to 10⁵× compared to traditional MC.

By Yubo Cao, Xi Deng, Mengqi Xia, Vignesh Gopakumar, Ander Gray, Anima Anandkumar
arXiv AI
Sep 23

Artificial Neural Networks as Surrogate Models in Black Box Optimization

arXiv:2609.22329v1 Announce Type: cross Abstract: Black-Box Optimization (BBO) is often applied in several engineering fields and can utilize an advancement of numerical measure- ments and simulation...

By Md Khadimul Islam Zim (Czech Academy of Sciences, Institute of Computer Science, Prague, Czech Republic), Martin Hole\v{n}a (Czech Academy of Sciences, Institute of Computer Science, Prague, Czech Republic)
arXiv AI
Sep 24

KATOsuper: Surrogate-accelerated neural topology optimization with sensitivity-consistent Fourier neural operators

KATOsuper is an objective‑agnostic framework that accelerates neural topology optimization by coupling neural‑reparameterized TO with a Sensitivity‑Consistent Fourier Neural Operator (SC‑FNO). It uses a forward_split architecture to ensure that sensitivities derived via automatic differentiation remain consistent with predicted objectives, enabling stable optimization. The method demonstrates significant deployment‑time speedups (15–110×) over MATLAB baselines while preserving optimality across 2D and 3D benchmark problems, including compliance and stress minimization, and supports zero‑shot extrapolation to higher resolutions.

By Shengyu Yan, Jasmin Jelovica
arXiv Machine Learning
Jun 30

Implementation of Hyperelastic Physics-Augmented Neural Networks in the Explicit Finite Element Codes Simcenter Radioss and OpenRadioss with Applications to Impact Events

arXiv:2606. 29874v1 Announce Type: cross Abstract: Data-driven material modeling techniques have gained significant attention due to their ability to capture complex constitutive behaviors beyond the limitations of classical material models.

By Lukas Maurer, Sascha Eisentr\"ager, Marian Bulla, Daniel Juhre
arXiv Machine Learning
Jul 28

WeCon: An Efficient Weight-Conditioned Neural Solver for Multi-Objective Combinatorial Optimization Problems

arXiv:2605. 22876v2 Announce Type: replace Abstract: Existing neural solvers for Multi-Objective Combinatorial Optimization Problems (MOCOPs) commonly adopt decomposition-based strategies that scalarize a MOCOP into multiple subproblems associated with distinct weight vectors.

By Xuan Wu, Jinbiao Chen, Yang Li, Lijie Wen, Chunguo Wu, Yuanshu Li, Yubin Xiao, Chunyan Miao, You Zhou, Di Wang
arXiv Machine Learning
Sep 3

Scalable Bayesian Optimization of Composite Functions for Image-Based Inverse Problems in Materials Characterization

The paper introduces Scalable Bayesian Optimization of Composite Functions (SBOCF) for efficiently estimating physical parameters from scientific images, specifically targeting electron microscopy PACBED patterns. SBOCF leverages the composite structure of the image-matching objective, reducing modeled outputs from 24,649 to 11 by using patch-level summaries and correction terms. With only 50 simulator evaluations, SBOCF outperformed standard Bayesian optimization, achieving up to 290× lower median SSE on synthetic SrTiO3 benchmarks and producing accurate parameter estimates on experimental data without task-specific pretraining.

By Dasol Yoon, Poompol Buathong, Chia-Hao Lee, Yujia Zhang, David A. Muller, Peter I. Frazier