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X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

Materials Science · Physics 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

Resolving transient atomic configurations in non-crystalline or dynamic environments remains a fundamental bottleneck in the physical sciences. While X-ray absorption spectroscopy (XAS) is a premier probe of local structure, inverting…

Materials Science · Physics 2026-03-31 Suyang Zhong , Boying Huang , Pengwei Xu , Fanjie Xu , Yuhao Zhao , Jun Cheng , Fujie Tang , Weinan E , Zhong-Qun Tian

Representation learning is a critical ingredient for natural language processing systems. Recent Transformer language models like BERT learn powerful textual representations, but these models are targeted towards token- and sentence-level…

Computation and Language · Computer Science 2020-05-21 Arman Cohan , Sergey Feldman , Iz Beltagy , Doug Downey , Daniel S. Weld

We introduce SemCSE, an unsupervised method for learning semantic embeddings of scientific texts. Building on recent advances in contrastive learning for text embeddings, our approach leverages LLM-generated summaries of scientific…

Computation and Language · Computer Science 2025-07-18 Marc Brinner , Sina Zarriess

Descriptor generation methods using latent representations of encoder$-$decoder (ED) models with SMILES as input are useful because of the continuity of descriptor and restorability to the structure. However, it is not clear how the…

Chemical Physics · Physics 2023-04-14 Shumpei Nemoto , Tadahaya Mizuno , Hiroyuki Kusuhara

Sensing and communication are fundamental enablers of next-generation networks. While communication technologies have advanced significantly, sensing remains limited to conventional parameter estimation and is far from fully explored.…

Signal Processing · Electrical Eng. & Systems 2026-04-01 Xiaoqi Zhang , J. Andrew Zhang , Chang Liu , Weijie Yuan , Geoffrey Ye Li , Moeness G. Amin

This paper compares machine learning approaches with different input data formats for the classification of acoustic emission (AE) signals. AE signals are a promising monitoring technique in many structural health monitoring applications.…

Signal Processing · Electrical Eng. & Systems 2025-01-03 Uditha Muthumala , Yuxuan Zhang , Luciano Sebastian Martinez-Rau , Sebastian Bader

Distributed multichannel acoustic sensing (DMAS) enables large-scale sound event classification (SEC), but performance drops when many channels are degraded and when sensor layouts at test time differ from training layouts. We propose a…

Current AI-assisted skin image diagnosis has achieved dermatologist-level performance in classifying skin cancer, driven by rapid advancements in deep learning architectures. However, unlike traditional vision tasks, skin images in general…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Xin Hu , Janet Wang , Jihun Hamm , Rie R Yotsu , Zhengming Ding

Molecular structure generation from mass spectrometry is fundamental for understanding cellular metabolism and discovering novel compounds. Although tandem mass spectrometry (MS/MS) enables the high-throughput acquisition of fragment…

Machine Learning · Computer Science 2026-02-03 Xichen Sun , Wentao Wei , Jiahua Rao , Jiancong Xie , Yuedong Yang

We introduce SENT-Map, a semantically enhanced topological map for representing indoor environments, designed to support autonomous navigation and manipulation by leveraging advancements in foundational models (FMs). Through representing…

Robotics · Computer Science 2025-11-06 Raj Surya Rajendran Kathirvel , Zach A Chavis , Stephen J. Guy , Karthik Desingh

Chemical representation learning has gained increasing interest due to the limited availability of supervised data in fields such as drug and materials design. This interest particularly extends to chemical language representation learning,…

Chemical Physics · Physics 2024-08-06 Jun-Hyung Park , Yeachan Kim , Mingyu Lee , Hyuntae Park , SangKeun Lee

Medical images like CT and MRI provide detailed information about the internal structure of the body, and identifying key anatomical structures from these images plays a crucial role in clinical workflows. Current methods treat it as a…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Xiaoyu Bai , Yong Xia

Earth observation (EO) foundation models have emerged as an effective approach to derive latent representations of the Earth system from various remote sensing sensors. These models produce embeddings that can be used as analysis-ready…

Machine Learning · Computer Science 2025-11-21 Julia Peters , Karin Mora , Miguel D. Mahecha , Chaonan Ji , David Montero , Clemens Mosig , Guido Kraemer

We present a framework for generating universal semantic embeddings of chemical elements to advance materials inference and discovery. This framework leverages ElementBERT, a domain-specific BERT-based natural language processing model…

Computation and Language · Computer Science 2026-04-30 Yunze Jia , Yuehui Xian , Yangyang Xu , Pengfei Dang , Xiangdong Ding , Jun Sun , Yumei Zhou , Dezhen Xue

Several language applications often require word semantics as a core part of their processing pipeline, either as precise meaning inference or semantic similarity. Multi-sense embeddings (M-SE) can be exploited for this important…

Computation and Language · Computer Science 2021-03-04 Eniafe Festus Ayetiran , Petr Sojka , Vít Novotný

The initial assessment of skin lesions is typically based on dermoscopic images. As this is a difficult and time-consuming task, machine learning methods using dermoscopic images have been proposed to assist human experts. Other approaches…

Computer Vision and Pattern Recognition · Computer Science 2020-02-06 Nils Gessert , Marcel Bengs , Alexander Schlaefer

In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge, primarily due to the varied drawing styles and conventions…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Yufan Chen , Ching Ting Leung , Yong Huang , Jianwei Sun , Hao Chen , Hanyu Gao

Helium atom scattering (HAS) is a well established technique for examining the surface structure and dynamics of materials at atomic sized resolution. The HAS technique Helium spin-echo spectroscopy opens up the possibility of compressing…

Materials Science · Physics 2015-10-05 Alex Jones , Anton Tamtögl , Irene Calvo-Almazán , Anders Hansen

Imaging mass spectrometry (IMS) is a powerful tool for untargeted, highly multiplexed molecular mapping of tissue in biomedical research. IMS offers a means of mapping the spatial distributions of molecular species in biological tissue with…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Yijie Zhang , Luzhe Huang , Nir Pillar , Yuzhu Li , Lukasz G. Migas , Raf Van de Plas , Jeffrey M. Spraggins , Aydogan Ozcan
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