Infrared Spectroscopy

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13 papers1 paper in the last four weeks, with none the four weeks before. 0.0% of all new papers.

  1. Response-state Learning for Transferable Vibrational Spectroscopic Characterization with Electron Prior

    Sep 24, 2026Zetong Li, Zhuosong Xie, Hengyu Fan +6Infrared SpectroscopyEquivariant Neural Networks

    Innovation Center for AI and Drug Discovery, School of Pharmacy, East China Normal University, Shanghai 200062, China.

  2. Towards Reasonable Molecular Structure Elucidation from Infrared Spectroscopy with Chemical Feedback

    Aug 17, 2026Yusen Tan, Hongyu Zhan, Hai-tao Yu +3Infrared SpectroscopyPreference Optimization

    The Hong Kong University of Science and Technology (Guangzhou) · Westlake University · University of Science and Technology of China +1

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

    Aug 13, 2026Yusen Tan, Yixuan Chen, Zheng Fang +8Infrared SpectroscopySynthetic-to-Real Domain Adaptation

    Information Hub, The Hong Kong University of Science and Technology (Guangzhou), Guangzhou 511453, China · College of Computer Science and Technology, Jilin University, Changchun 130012, China · School of Computer Science, University of Auckland, Auckland 1142, New Zealand +3

  4. SpecCal: Ambiguity-Aware Candidate Calibration for Infrared Spectrum-Based Molecular Structure Reconstruction

    Jul 30, 2026Yixuan Chen, Bo Liu, Yusen Tan +3Infrared SpectroscopyModel Calibration

    College of Computer Science and Technology, Jilin University · School of Mathematics, Jilin University · Information Hub, HKUST(GZ) +3

  5. Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation

    Jul 28, 2026Ethan J. Mick, Campbell A. Sweet, Matthias J. Young +1Mixture-of-Experts ModelsInfrared Spectroscopy

    Electrical Engineering and Computer Science University of Missouri Columbia, MO 65211 · Chemical and Biomedical Engineering University of Missouri Columbia, MO 65211

  6. Batch-Invariant Spectral Intelligence for Robust and Explainable Insect Authentication

    Jun 25, 2026Majharulislam Babor, Giacomo Rossi, Annalisa Altavilla +2Domain GeneralizationInfrared Spectroscopy

    Data Science in Bioeconomy, Leibniz Institute for Agricultural Engineering and Bioeconomy (ATB), Potsdam, Germany · Systems Process Engineering, ATB, Potsdam, Germany · University of Potsdam, Potsdam, Germany

  7. Distilling latent electrostatics from foundation machine learning interatomic potentials

    Jun 12, 2026Xiaoyu Wang, Bingqing ChengInfrared SpectroscopyMachine Learning Interatomic Potentials

    Department of Chemistry, UC Berkeley, California 94720, United States · Bakar Institute of Digital Materials for the Planet, UC Berkeley, California 94720, United States · Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California, 94720, United States

  8. Tabular foundation models for robust calibration of near-infrared chemical sensing data

    May 20, 2026Robin Reiter, Denis Cornet, Fabien Michel +2Tabular Foundation ModelsTabular Regression

    1CIRAD, UMR AGAP Institut, F-34398 Montpellier, France · 2UMR AGAP Institut, Université de Montpellier, CIRAD, INRAE, Institut Agro, Montpellier, France · 3LIRMM, Université de Montpellier, CNRS, Montpellier, France

  9. Enhancing molecular dynamics with equivariant machine-learned densities

    Apr 27, 2026Mihail Bogojeski, Muhammad R. Hasyim, Leslie Vogt-Maranto +3Infrared SpectroscopyMachine Learning Interatomic Potentials

    BIFOLD and Machine Learning Group, Technische Universität Berlin, Franklinstr. 28/29, 10587 Berlin, Germany · Department of Chemistry, New York University, New York, NY 10003, USA · Department of Artificial Intelligence, Korea University, Seoul 02841, Korea +5

  10. Deep Convolutional Neural Networks for predicting highest priority functional group in organic molecules

    Mar 25, 2026Kunal Khatri, Vineet MehtaInfrared SpectroscopyMolecular Property Prediction

    Dhirubhai Ambani Institute of Information & Communication Technology

  11. Latent Diffusion-Based 3D Molecular Recovery from Vibrational Spectra

    Mar 6, 2026Wenjin Wu, Aleš Leonardis, Linjiang Chen +1Infrared Spectroscopy3D Molecular Generation

    School of Computer Science, University of Birmingham · School of Chemistry, University of Birmingham · State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China

  12. Unmixing ATR-μFTIR spectroscopic images of cross-sections of historical oil paintings

    Mar 3, 2026Shivam Pande, Nicolas Nadisic, Francisco Mederos-Henry +1Hyperspectral UnmixingHyperspectral Imaging

    Department of Telecommunications and Information Processing, Ghent University, Belgium. · Royal Institute for Cultural Heritage (KIK-IRPA), Belgium. · Engineering of Molecular Nanosystems (EMNS) Laboratory, Université Libre de Bruxelles (ULB), Belgium.

  13. From Static Spectra to Operando Infrared Dynamics: Physics Informed Flow Modeling and a Benchmark

    Feb 20, 2026Shuquan Ye, Ben Fei, Hongbin Xu +2Infrared SpectroscopyPhysics-Informed Generative Modeling

    Department of Information Engineering, The Chinese University of Hong Kong · Shenzhen Loop Area Institute · Massachusetts Institute of Technology +1