arXiv Machine Learning

Temperature-Driven Sequential Modeling for the Prediction of Annual Power Conversion Efficiency Profiles of Organic Photovoltaic Materials: Douala Case Study

arXiv:2608. 11261v1 Announce Type: cross Abstract: Organic photovoltaic (OPV) materials are promising candidates for distributed solar energy in tropical regions, yet existing virtual screening tools report static power conversion efficiency (PCE) values at standard testing conditions (STC) that fail to capture the temperature-driven performance degradation experienced under real deployment conditions.

Hugging Face Trending Papers
Jul 14

Robustness of Deep Learning Models for PV Power Forecasting under NWP Forecast Errors: A Spatiotemporal and Physically Interpretable Analysis

Engineering use of AI forecasting models requires not only high nominal accuracy but also predictable behavior under uncertain inputs. In photovoltaic (PV) forecasting, this requirement is especially challenging because numerical weather prediction (NWP) errors are temporally correlated, state dependent, and physically coupled across variables.

arXiv AI
Jun 2

From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide Machine Learning Interatomic Potential Architectures

arXiv:2602. 04861v2 Announce Type: replace-cross Abstract: Machine Learning Interatomic Potentials (MLIPs) sometimes fail to reproduce the physical smoothness of the quantum potential energy surface (PES), leading to erroneous behavior in downstream simulations that standard energy and force regression evaluations can miss.

By Ryan Liu, Eric Qu, Tobias Kreiman, Samuel M. Blau, Aditi S. Krishnapriyan
arXiv Machine Learning
Jul 1

ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table

arXiv:2606. 30961v1 Announce Type: cross Abstract: Advances in deep learning architectures and representations have enabled ML-driven chemical property prediction, but state-of-the-art (SOTA) models have remained largely confined to independent codebases and lack support for diverse chemical species.

By Jacob W. Toney, Samir Darouich, Yiran Wang, Aaron G. Garrison, Johannes K\"astner, Heather J. Kulik
arXiv AI
Jul 10

PARA-PV: Physics-Aware Retrieval-Augmented PV Prediction Based on Frozen Foundation Model and Distribution Shift Correction

arXiv:2607. 08079v1 Announce Type: new Abstract: Accurate photovoltaic (PV) power forecasting is essential for reliable grid dispatch and renewable energy integration, yet it remains challenging because PV generation is jointly shaped by weather variability, day-night transitions, regime-dependent dynamics, and strict physical constraints.

By Hang Fan, Weican Liu, Ying Lu, Dunnan Liu, Long Cheng, Wei Wei
arXiv Machine Learning
Jul 24

Toward Mechanistic Interpretability of an AI Foundation Model Fine-Tuned for Atmospheric Chemistry

arXiv:2607. 20778v1 Announce Type: new Abstract: Weather forecasting foundation models (FMs) are increasingly fine-tuned to predict air quality, offering fast global pollution forecasts at lower computational cost than conventional chemical transport models.

By Jason Y. Hu, Ivan Higuera-Mendieta, Patrick Obin Sturm, Makoto M. Kelp
arXiv Machine Learning
Jul 7

AquaGen: Scaling generative models to molecular dynamics precision on thousands of atoms

arXiv:2607. 03513v1 Announce Type: cross Abstract: We present AquaGen, the first all-atom, explicit solvent, periodic-boundary-condition-aware generative model that produces molecular configurations from the Boltzmann distribution at a fraction of the cost of molecular dynamics (MD).

By Emmanuel Bengio, Sanjeev Raja, Yui Tik Pang, Kerstin Klaeser, Cristian Gabellini, Nikhil Shenoy, Francesco Di Giovanni, Prudencio Tossou
arXiv AI
Jul 28

Physics-Informed Neural Networks for Predicting Nitrous Oxide Flux

arXiv:2607. 23880v1 Announce Type: cross Abstract: Nitrous oxide (N$_2$O) is the dominant ozone-depleting substance emitted in the 21st century, and the third largest contributor to anthropogenic greenhouse gases due to its high potency and long atmospheric lifetime, with more than 70% of N$_2$O emissions occurring as a result of agricultural processes.

By Freddy Yu, Jashanjeet Kaur Dhaliwal, Subhadeep Chakraborty