arXiv Machine Learning

RamanPFN: learning from Raman spectral structure with a tabular foundation model

arXiv:2608. 02157v1 Announce Type: new Abstract: Raman spectroscopy enables non-destructive, label-free molecular characterization across materials science, biomedicine and process monitoring.

arXiv Machine Learning
Jun 15

Machine Learning for Biomedical Raman Spectroscopy: From Spectral Acquisition to Clinical Translation

arXiv:2606. 14169v1 Announce Type: new Abstract: Raman spectroscopy provides label-free, chemically specific characterization of biological systems and has become an important tool for cancer diagnosis, molecular subtyping, microbiological identification, and intraoperative decision support.

By Bogdan Oancea, Ana Maria Seciu-Grama, Nicoleta Siminea, Laura Mihaela Stefan, Alice Stoica, Joel Sjoberg, Marian Necula, Ana-Maria Prelipcean, Corneliu Ovidiu Vrancianu, Eduard Milea, Andrei P\u{a}un, Ion Petre, Mihaela P\u{a}un
arXiv Machine Learning
Jul 23

Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data

arXiv:2607. 19816v1 Announce Type: cross Abstract: Determining molecular structures from spectroscopic data remains fundamentally challenging because the inverse problem is intrinsically underdetermined: individual spectra are sparse, low-dimensional, and encode only partial structural evidence relative to the vast space of possible molecules.

By Chengchun Liu, Zhiyuan Yan, Li Yuan, Hao Li, Boxuan Zhao, Yonghong Tian, Bartosz A. Grzybowski, Fanyang Mo
arXiv AI
5d ago

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
6d ago

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.

Hugging Face Trending Papers
Aug 12

Domain-Aware Lightweight Spectral-Grouped Convolutions for Hyperspectral Fish Freshness Classification

Hyperspectral imaging (HSI) offers nondestructive assessment of fish freshness by detecting biochemical alterations across spectral bands. However, conventional deep learning approaches do not fully address the particular characteristics of HSI data, such as spectral dominance over spatial textures, ordinal label structure, and a small number of training samples.