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A systematic investigation of molecular encoding methods for drug property predictions across neural network and Transformer encoder-based model

arXiv:2606.08973v1 Announce Type: cross Abstract: Fundamental investigations into how different molecular encoding methods affect molecular property prediction remain relatively limited. In this study, we extensively examined the optimal molecular encoding methods for molecular properties prediction using two prevalent structure designs: a classical neural network model (MLP) and a Transformer encoder-based model (MLP+TL). For molecular encoding methods, we investigated several types of...

arXiv CS 1d ago

Explainable deep-learning detection of microplastic fibers via polarization-resolved holographic microscopy

arXiv:2601.15769v3 Announce Type: replace Abstract: Reliable identification of microplastic fibers is crucial for environmental monitoring but remains analytically challenging. We report an explainable deep-learning framework for classifying microplastic and natural microfibers using polarization-resolved digital holographic microscopy. From multiplexed holograms, the complex Jones matrix of each fiber was reconstructed to extract polarization eigen-parameters describing optical anisotropy.

arXiv Physics 9d ago

SINAPSE: A lightweight deep learning framework for accurate and explainable neutron-$\gamma$ discrimination

arXiv:2605.13627v2 Announce Type: replace Abstract: Traditionally, neutron-$\gamma$ discrimination in organic scintillators relies on techniques such as time-of-flight (ToF) selection and pulse-shape discrimination (PSD). However, particle identification through graphical cuts remains challenging in the low-charge regime due to poor signal-to-noise ratios (SNR). In this work, we propose SINAPSE, a lightweight deep learning framework for accurate and explainable neutron-$\gamma$...

arXiv Physics 8d ago