arXiv Machine Learning

Deep Learning to Automate Parameter Extraction and Model Fitting of Two-Dimensional Transistors

arXiv Machine Learning
Sep 4

Mesh-Native Physics-Informed Graph Surrogates for TCAD-in-the-Loop Design Space Exploration

The paper introduces a physics‑informed graph attention network that directly operates on the tetrahedral mesh used in TCAD simulations of FinFET devices. By predicting electrostatic potential and quasi‑Fermi levels at every mesh node and training with both data loss and finite‑volume current‑continuity residuals, the surrogate retains the underlying carrier‑transport physics while achieving size generalization. Benchmarks against Sentaurus Device show sub‑volt RMSE for the drift‑diffusion fields and a per‑design throughput that is orders of magnitude faster, enabling rapid Pareto‑front exploration of large multi‑fin arrays that would otherwise be prohibitively slow to simulate.

By Leonid Popryho, Ayoub Sadeghi, Inna Partin-Vaisband
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 AI
Jun 9

Context-Aware Deep Learning for Defect Classification in Atomic-Resolution STEM

arXiv:2606. 09419v1 Announce Type: cross Abstract: Artificial intelligence is rapidly advancing materials characterization, yet most applications in electron microscopy rely solely on image contrast, overlooking the chemical and experimental context that shapes image formation.

By Jiadong Dan, Cheng Zhang, Leyi Loh, Ivan Verzhbitskiy, Yuan Chen, Goki Eda, Michel Bosman, N. Duane Loh