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The current study of cell architecture of inflammation in histopathology images commonly performed for diagnosis and research purposes excludes a lot of information available on the biopsy slide. In autoimmune diseases, major outstanding…

Image and Video Processing · Electrical Eng. & Systems 2022-10-25 Pranav Singh , Jacopo Cirrone

Understanding the intertwined contributions of amino acid sequence and spatial structure is essential to explain protein behaviour. Here, we introduce INFUSSE (Integrated Network Framework Unifying Structure and Sequence Embeddings), a deep…

Quantitative Methods · Quantitative Biology 2025-11-07 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

Clinical trials are crucial for drug development but are time consuming, expensive, and often burdensome on patients. More importantly, clinical trials face uncertain outcomes due to issues with efficacy, safety, or problems with patient…

Computers and Society · Computer Science 2022-03-15 Tianfan Fu , Kexin Huang , Cao Xiao , Lucas M. Glass , Jimeng Sun

Protein can be represented by amino acid interaction network. This network is a graph whose vertices are the proteins amino acids and whose edges are the interactions between them. This interaction network is the first step of proteins…

Computational Engineering, Finance, and Science · Computer Science 2014-01-16 Md. Shiplu Hawlader , Saifuddin Md. Tareeq

Modern computational organic chemistry is becoming increasingly data-driven. There remain a large number of important unsolved problems in this area such as product prediction given reactants, drug discovery, and metric-optimized molecule…

Biomolecules · Quantitative Biology 2026-02-10 Josh Payne , Mario Srouji , Dian Ang Yap , Vineet Kosaraju

Prostate cancer, the second most prevalent male malignancy, requires advanced diagnostic tools. We propose an explainable AI system combining BERT (for textual clinical notes) and Random Forest (for numerical lab data) through a novel…

We present iBERT (interpretable-BERT), an encoder to produce inherently interpretable and controllable embeddings - designed to modularize and expose the discriminative cues present in language, such as semantic or stylistic structure. Each…

Computation and Language · Computer Science 2026-01-27 Vishal Anand , Milad Alshomary , Kathleen McKeown

Predicting patient mortality is an important and challenging problem in the healthcare domain, especially for intensive care unit (ICU) patients. Electronic health notes serve as a rich source for learning patient representations, that can…

Computation and Language · Computer Science 2019-10-16 Shaika Chowdhury , Chenwei Zhang , Philip S. Yu , Yuan Luo

Rapid determination of molecular structures can greatly accelerate workflows across many chemical disciplines. However, elucidating structure using only one-dimensional (1D) NMR spectra, the most readily accessible data, remains an…

Chemical Physics · Physics 2024-08-16 Frank Hu , Michael S. Chen , Grant M. Rotskoff , Matthew W. Kanan , Thomas E. Markland

Named entity recognition (NER) of chemicals and drugs is a critical domain of information extraction in biochemical research. NER provides support for text mining in biochemical reactions, including entity relation extraction, attribute…

Computation and Language · Computer Science 2020-12-22 Jian Liu , Lei Gao , Sujie Guo , Rui Ding , Xin Huang , Long Ye , Qinghua Meng , Asef Nazari , Dhananjay Thiruvady

Off-the-shelf biomedical embeddings obtained from the recently released various pre-trained language models (such as BERT, XLNET) have demonstrated state-of-the-art results (in terms of accuracy) for the various natural language…

Computation and Language · Computer Science 2020-12-22 Ishani Mondal

In this work, we present a deep learning framework for multi-class breast cancer image classification as our submission to the International Conference on Image Analysis and Recognition (ICIAR) 2018 Grand Challenge on BreAst Cancer…

Computer Vision and Pattern Recognition · Computer Science 2018-02-06 Yeeleng S. Vang , Zhen Chen , Xiaohui Xie

Deep learning models have gained increasing adoption in medical image analysis. However, these models often produce overconfident predictions, which can compromise clinical accuracy and reliability. Bridging the gap between high-performance…

Image and Video Processing · Electrical Eng. & Systems 2026-03-24 Jutika Borah , Hidam Kumarjit Singh

Microscopic histology image analysis is a cornerstone in early detection of breast cancer. However these images are very large and manual analysis is error prone and very time consuming. Thus automating this process is in high demand. We…

Computer Vision and Pattern Recognition · Computer Science 2018-10-23 Ismaël Koné , Lahsen Boulmane

We consider representation learning for proteins with 3D structures. We build 3D graphs based on protein structures and develop graph networks to learn their representations. Depending on the levels of details that we wish to capture,…

Machine Learning · Computer Science 2023-03-07 Limei Wang , Haoran Liu , Yi Liu , Jerry Kurtin , Shuiwang Ji

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

Machine Learning · Computer Science 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

Electronic health records (EHR) are widely believed to hold a profusion of actionable insights, encrypted in an irregular, semi-structured format, amidst a loud noise background. To simplify learning patterns of health and disease, medical…

Computation and Language · Computer Science 2022-12-13 David A. Bloore , Romane Gauriau , Anna L. Decker , Jacob Oppenheim

Image BERT pre-training with masked image modeling (MIM) becomes a popular practice to cope with self-supervised representation learning. A seminal work, BEiT, casts MIM as a classification task with a visual vocabulary, tokenizing the…

Computer Vision and Pattern Recognition · Computer Science 2022-07-29 Xiaotong Li , Yixiao Ge , Kun Yi , Zixuan Hu , Ying Shan , Ling-Yu Duan

Antibiotic resistance poses a significant threat in in-patient settings with high mortality. Using MIMIC-III data, we generated Sentence-BERT embeddings from clinical notes and applied Neural Networks and XGBoost to predict antibiotic…

Computation and Language · Computer Science 2025-09-19 Mahmoud Alwakeel , Michael E. Yarrington , Rebekah H. Wrenn , Ethan Fang , Jian Pei , Anand Chowdhury , An-Kwok Ian Wong

Interpretability is crucial to enhance trust in machine learning models for medical diagnostics. However, most state-of-the-art image classifiers based on neural networks are not interpretable. As a result, clinicians often resort to known…

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