arXiv AI

Temperature Field Reconstruction of Tungsten Monoblock Divertor on EAST using Physics-aware Neural Operator Transformer

arXiv:2606. 31574v1 Announce Type: cross Abstract: Accurate modeling of the divertor temperature field is essential for preventing material melting and damage and for extending the service life of fusion devices.

arXiv Machine Learning
Sep 7

Disentangling Attention in Deep Operator Learning: A Controlled Study of Data-Driven and Physics-Informed Architectures

The paper investigates how different attention mechanisms affect the performance of DeepONet neural operators. Five variants—varying in cross‑attention, self‑attention, tokenization, and attention depth—are trained in both data‑driven and physics‑informed settings on one‑ and two‑dimensional PDE benchmarks. Results show that per‑sensor tokenization with cross‑attention consistently reduces error, while branch self‑attention helps only in complex spatial problems, and deeper cross‑attention yields diminishing returns with higher cost.

By Amar Alem Koric, Qibang Liu, Seid Koric
arXiv Machine Learning
Jul 28

Physics Transformer: Tailoring Transformer for General PDE Prediction

arXiv:2607. 24513v1 Announce Type: new Abstract: Transformer architectures have attracted increasing attention for solving partial differential equations (PDEs), owing to their flexibility in handling irregular discretizations and their ability to capture long-range physical dependencies.

By Guoze Sun, Rui Zhang, Jiankai Tang, Mengtao Yan, Runze Mao, Zhi X. Chen, Hao Sun
arXiv AI
Aug 17

ArGEnT: Arbitrary Geometry-encoded Transformer for Operator Learning

arXiv:2602. 11626v3 Announce Type: replace-cross Abstract: Learning solution operators on arbitrary geometries remains a central challenge in scientific machine learning, especially for many-query simulation, physics-informed learning, and evolving geometries requiring accurate, geometry-aware predictions at arbitrary spatial locations.

By Wenqian Chen, Zhi-Feng Wei, Yucheng Fu, Michael Penwarden, Pratanu Roy, Panos Stinis
arXiv Machine Learning
Sep 17

ADAPT: Lightweight, Long-Range Machine Learning Force Fields Without Graphs

The paper introduces ADAPT, a lightweight machine‑learning force field that replaces graph neural networks with a direct coordinates‑in‑space Transformer encoder to model all pairwise atomic interactions. Applied to silicon point defects, ADAPT reduces force prediction error by about 22% and energy prediction error by roughly 40% compared to a state‑of‑the‑art GNN model, while also cutting computational cost. This approach addresses common GNN issues such as oversmoothing, oversquashing, and poor long‑range interaction representation, which are especially problematic for point defect modeling.

By Evan Dramko, Yihuang Xiong, Yizhi Zhu, Geoffroy Hautier, Thomas Reps, Christopher Jermaine, Anastasios Kyrillidis
arXiv Machine Learning
Jul 8

PGOT: A Physics-Geometry Operator Transformer for Complex PDEs

arXiv:2512. 23192v4 Announce Type: replace Abstract: While Transformers have demonstrated remarkable potential in modeling Partial Differential Equations (PDEs), modeling large-scale unstructured meshes with complex geometries remains a significant challenge.

By Zhuo Zhang, Xi Yang, Ying Miao, Xiaobin Hu, Yifu Gao, Yong Yang, Canqun Yang, Boocheong Khoo
arXiv AI
Sep 2

Geometry-aware Latent Autoregressive Generative Model for PDEs in Complex Domains

The paper introduces GeoLAMP, a Geometry-aware Latent Autoregressive generative Model designed to solve multiphysics partial differential equations in highly irregular, micro‑scale tortuous geometries. GeoLAMP employs a dual‑encoder graph architecture to capture both global topology and fine‑scale geometry, transforms real‑space fields into compact latent representations, and uses a causal self‑attention transformer with flow matching for stable, scalable block‑wise autoregressive prediction. The model is evaluated on three benchmark datasets—reactive flow, heat convection, and elasticity—showing consistently low errors across the entire rollout horizon.

By Zi Wang, Minghui Xu, Tapan Mukerji
arXiv Machine Learning
Jun 5

When Attention Beats Fourier: Multi-Scale Transformers for PDE Solving on Irregular Domains

arXiv:2605. 08318v2 Announce Type: replace Abstract: We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators.

By Brandon Yee, Pairie Koh, Jack Rodriguez, Mihir Tekal