arXiv Machine Learning

Rethinking Total Absorption Gamma Spectroscopy Deconvolution: Supervised Machine Learning vs Response-Matrix Methods

arXiv:2608. 00090v1 Announce Type: cross Abstract: The extraction of $\beta$-feeding distributions in Total Absorption $\gamma$-ray Spectroscopy constitutes a challenging inverse problem, particularly in nuclei with complex decay schemes involving a large number of excited states.

arXiv AI
Aug 14

Simulation-to-real transfer learning for infrared spectroscopic chemical sensing and analysis from molecules to complex samples

arXiv:2608. 13341v1 Announce Type: cross Abstract: Infrared (IR) spectroscopy is widely used for chemical sensing, but extracting reliable chemical information from spectra remains challenging.

By Yusen Tan, Yixuan Chen, Zheng Fang, Pan Liu, Yifan Li, Qinyu Guo, Zhedong Lin, Yuqiang Li, Xiangxiang Zeng, Tong Wang, Jun Xia
Hugging Face Trending Papers
Aug 13

Simulation-to-real transfer learning for infrared spectroscopic chemical sensing and analysis from molecules to complex samples

Infrared (IR) spectroscopy is widely used for chemical sensing, but extracting reliable chemical information from spectra remains challenging. Conventional interpretation is labor-intensive, relies on prior knowledge and reference spectra, and is difficult to scale, whereas most machine-learning methods are tailored to individual tasks or datasets, require large labeled training sets, and transfer poorly across analytical objectives and experimental datasets.

arXiv Machine Learning
Sep 17

Physics-Informed Sylvester Normalizing Flows for Bayesian Inference in Magnetic Resonance Spectroscopy

The paper presents a Bayesian inference framework for magnetic resonance spectroscopy (MRS) that employs Sylvester normalizing flows (SNFs) to approximate posterior distributions over metabolite concentrations. A physics-based decoder incorporates prior knowledge of MRS signal formation, ensuring realistic distribution representations. Validation on simulated 7T proton MRS data shows accurate metabolite quantification, well-calibrated uncertainties, and insights into parameter correlations and multi‑modal distributions.

By Julian P. Merkofer, Dennis M. J. van de Sande, Alex A. Bhogal, Ruud J. G. van Sloun
arXiv Machine Learning
Sep 15

Evaluation of optimisation and Bayesian inference methods for reaction rates in atmospheric chemical mechanisms

arXiv:2609.14569v1 Announce Type: cross Abstract: Constraining reaction rate coefficients is a central challenge in the development of explicit atmospheric chemical mechanisms, particularly for autox...

By Valery Ashu, Wenqing Peng, Zhi-Song Liu, Heikki Haario, Andreas Rupp, Taiwo Ashu, Petri Clusius, Lukas Pichelstorfer, Zihao Fu, Michael Boy
arXiv AI
Sep 17

Physics-Informed Neural Networks for Fast Multilayer Spectral Inversion of H{\alpha} 6562.8 A and Ca II 8542.1 A Spectra

The paper presents a physics-informed neural network (PINN) that accelerates multilayer spectral inversion (MLSI) of solar chromospheric lines Hα 6562.8 Å and Ca II 8542.1 Å. The PINN predicts MLSI parameters from observed line profiles and uses a differentiable forward model to synthesize spectra, trained in two stages—first with spectral reconstruction loss, then fine‑tuned with conventional MLSI results on a single reference image. Applied to Fast Imaging Solar Spectrograph data, the method reproduces key spatial structures and achieves a 12–60× speedup, processing a raster in 5–15 s versus 3–5 min for traditional MLSI.

By Ziyang Zhang, Qin Li, Vasyl B. Yurchyshyn, Kangwoo Yi, Haimin Wang, Wenda Cao, Bo Shen
arXiv Machine Learning
Jul 31

Robust Wavelength Selection for Partial Least Squares Sugar Content Estimation Using Combinatorial Bayesian Optimization

arXiv:2607. 27645v1 Announce Type: cross Abstract: Wavelength selection is one of the important preprocessing methods in near-infrared spectroscopy to improve prediction accuracy and interpretability of spectral data.

By Mitsunobu Kanebako, Ami S. Koshikawa, Masaru Hitomi, Takuro Tanaka, Mahito Chiba, Maiko Mori, Masayuki Ohzeki
arXiv Machine Learning
Aug 26

S-matrix informed neural networks for amplitude analysis

arXiv:2608.23750v1 Announce Type: cross Abstract: Reconstructing scattering amplitudes from finite, noisy, and mutually inconsistent measurements is an ill-posed inverse problem common to many reacti...

By Wyatt A. Smith, Arkaitz Rodas, Marius D. Thomas, C\'esar Fern\'andez-Ram\'irez, Giorgio Foti, Lin Qiu, Adam P. Szczepaniak, Alessandro Pilloni