arXiv Machine Learning

Physics-Guided Concentration Inference from Resistance Transients in a Mixed-Phase SnO-SnO$_2$ Carbon Monoxide Sensor with p-n Switching

arXiv:2605. 23971v2 Announce Type: replace-cross Abstract: This work presents a physics-guided machine-learning framework for carbon monoxide concentration inference from experimentally measured resistance transients of a mixed-phase SnO-SnO$_2$ material gas sensor exhibiting temperature-dependent p-n switching behavior.

arXiv Machine Learning
Jun 9

TriHead-GAN: A Generative Adversarial Network with Triple-Head Discriminator for Carbon Emission Time Series Generation

arXiv:2606. 07569v1 Announce Type: new Abstract: Accurate carbon emission monitoring is critical for climate policy and emerging regulatory mechanisms such as the EU Carbon Border Adjustment Mechanism, yet city-level high-frequency monitoring data remain extremely scarce, severely limiting data-hungry deep learning models.

By Zesen Wang, Lijuan Lan, Yonggang Li, Chunhua Yang
arXiv Machine Learning
Jun 24

Machine Learning Modeling for Real-Time Melt Pool Monitoring in Laser Powder Bed Fusion Additive Manufacturing: A Hybrid Approach

arXiv:2606. 23851v1 Announce Type: new Abstract: This work investigates the implementation of artificial intelligence and machine learning (AI/ML) for real-time monitoring in laser powder bed fusion (LPBF) additive manufacturing.

By Inioluwa Emmanuel, Zhuo Yang, Ho Yeung, Xinyao Zhang
arXiv Machine Learning
Sep 7

Deep Learning-Driven Peptide Classification in Biological Nanopores

The paper presents a deep learning approach that converts nanopore resistive pulse signals into scaleograms using continuous wavelet transforms, enabling the classification of peptides as an image‑classification problem. On a dataset of 42 peptides, the method achieves an 82% macro‑averaged accuracy, outperforming previous descriptor‑based techniques by 8.6 percentage points. The models also remain accurate after significant weight pruning and 8‑bit quantization, making them suitable for deployment on embedded sensing hardware.

By Julian Ho{\ss}bach, Samuel Tovey, Sandro Kuppel, Tobias Ensslen, Jan C. Behrends, Christian Holm
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
arXiv Machine Learning
Oct 28

Nowcasting aerosol particle size distributions from PM2.5 with physics-regularized flow matching

The paper investigates whether generative deep learning models can nowcast aerosol particle size distributions (PSDs) from routine PM2.5 measurements and meteorological data. Using data from two Finnish stations—Hyytiälä (boreal forest) and Kumpula (urban)—the authors benchmark six generative models against deterministic and climatological baselines, finding that flow matching, especially its guided variant, achieves the lowest continuous ranked probability score (CRPS). Incorporating a physics-based constraint derived from a reduced aerosol general dynamic equation further improves performance, reducing CRPS by 5.5–11.5% at the training site and improving transferability between sites.

By Zhi-Song Liu, Jenni K\"oykk\"a, Wenqing Peng, Ammar Kheder, Petri Clusius, Michael Boy
arXiv Machine Learning
Aug 18

Efficient Neural-Network-Based High-Resolution Radiative Transfer for CO___ Retrieval, and Application to Interferometric Sensing

arXiv:2608. 14645v1 Announce Type: new Abstract: Studying climate change requires reducing uncertainties in CO2 and CH4 emission estimates to better distinguish anthropogenic from natural sources, which motivates spaceborne measurements with improved revisit frequency and spatial coverage.

By Jordan Lontsi Tedongmo (CB), Yann Ferrec (CB, IFUMI), Laurence Croiz\'e (CB, IFUMI), Pablo Mus\'e (CB, IFUMI), Gabriele Facciolo (CB), Andr\'es Almansa (MAP5 - UMR 8145, IFUMI)
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
Oct 28

KPPax: preprocess differentiable kinetic ODE for machine learning in atmospheric chemistry

KPPax is a new kinetic preprocessor that converts atmospheric chemistry mechanisms written in the Kinetic PreProcessor (KPP) language into differentiable, just‑in‑time compiled, vectorisable code in JAX. It evaluates rate laws in log space to maintain differentiability and integrates stiff systems using implicit solvers with forward‑ and reverse‑mode adjoints from the diffrax library, enabling exact sensitivities without hand‑derived adjoint code. Demonstrations with the POLLU benchmark show that KPPax can predict which rate coefficients are identifiable and improve neural‑network corrections of emission inventories, reducing errors by up to a factor of five.

By Wenqing Peng, Michael Boy, Zhi-Song Liu