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In this paper, we propose a novel interpretation method tailored to histological Whole Slide Image (WSI) processing. A Deep Neural Network (DNN), inspired by Bag-of-Features models is equipped with a Multiple Instance Learning (MIL) branch…

Computer Vision and Pattern Recognition · Computer Science 2019-04-17 Magdalini Paschali , Muhammad Ferjad Naeem , Walter Simson , Katja Steiger , Martin Mollenhauer , Nassir Navab

Recent advances in machine learning have made significant contributions to drug discovery. Deep neural networks in particular have been demonstrated to provide significant boosts in predictive power when inferring the properties and…

Machine Learning · Computer Science 2016-11-11 Han Altae-Tran , Bharath Ramsundar , Aneesh S. Pappu , Vijay Pande

Automatic industrial scheduling, aiming at optimizing the sequence of jobs over limited resources, is widely needed in manufacturing industries. However, existing scheduling systems heavily rely on heuristic algorithms, which either…

Artificial Intelligence · Computer Science 2020-08-11 Longkang Li , Hui-Ling Zhen , Mingxuan Yuan , Jiawen Lu , XialiangTong , Jia Zeng , Jun Wang , Dirk Schnieders

The discovery of novel drug target (DT) interactions is an important step in the drug development process. The majority of computer techniques for predicting DT interactions have focused on binary classification, with the goal of…

Machine Learning · Computer Science 2023-03-22 Partho Ghosh , Md. Aynal Haque

Multimodal Large Language Models (MLLMs) have demonstrated strong capabilities across a wide range of vision language tasks. However, when applied to large scale image classification, their performance degrades significantly as the label…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Zhipeng Ye , Jiaqi Huang , Feng Jiang , Qiufeng Wang , Yikang Duan , Dawei Wang , Xihang Zhou , Qian Qiao

Drug-target interaction (DTI) prediction is crucial for drug development and repositioning. Methods using heterogeneous graph neural networks (HGNNs) for DTI prediction have become a promising approach, with attention-based models often…

Biomolecules · Quantitative Biology 2024-11-05 Junwei Hu , Michael Bewong , Selasi Kwashie , Wen Zhang , Vincent M. Nofong , Guangsheng Wu , Zaiwen Feng

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

Machine Learning · Computer Science 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

Drug-drug interaction (DDI) identification is a crucial aspect of pharmacology research. There are many DDI types (hundreds), and they are not evenly distributed with equal chance to occur. Some of the rarely occurred DDI types are often…

Machine Learning · Computer Science 2024-10-17 Liangwei Nathan Zheng , Chang George Dong , Wei Emma Zhang , Xin Chen , Lin Yue , Weitong Chen

Memorization in large language models has been studied almost exclusively through prefix-conditioned extraction, a natural choice for autoregressive models. However, diffusion language models (DLMs) can denoise masked tokens at arbitrary…

Computation and Language · Computer Science 2026-05-26 Yihan Wang , N. Asokan

One essential task in information extraction from the medical corpus is drug name recognition. Compared with text sources come from other domains, the medical text is special and has unique characteristics. In addition, the medical text…

Computation and Language · Computer Science 2016-10-07 Sadikin Mujiono , Mohamad Ivan Fanany , Chan Basaruddin

Distilling pretrained softmax attention Transformers into more efficient hybrid architectures that interleave softmax and linear attention layers is a promising approach for improving the inference efficiency of LLMs without requiring…

Computation and Language · Computer Science 2025-12-24 Yanhong Li , Songlin Yang , Shawn Tan , Mayank Mishra , Rameswar Panda , Jiawei Zhou , Yoon Kim

Deep Bidirectional Long Short-Term Memory (D-BLSTM) with a Connectionist Temporal Classification (CTC) output layer has been established as one of the state-of-the-art solutions for handwriting recognition. It is well known that the DBLSTM…

Computation and Language · Computer Science 2020-08-05 Qi Liu , Lijuan Wang , Qiang Huo

Predicting unknown drug-drug interactions (DDIs) is crucial for improving medication safety. Previous efforts in DDI prediction have typically focused on binary classification or predicting DDI categories, with the absence of explanatory…

Computation and Language · Computer Science 2024-09-10 Zhaoyue Sun , Jiazheng Li , Gabriele Pergola , Yulan He

Dataset distillation, a training-aware data compression technique, has recently attracted increasing attention as an effective tool for mitigating costs of optimization and data storage. However, progress remains largely empirical.…

Machine Learning · Computer Science 2026-03-31 Yuri Kinoshita , Naoki Nishikawa , Taro Toyoizumi

This work presents a Fully BInarized Large Language Model (FBI-LLM), demonstrating for the first time how to train a large-scale binary language model from scratch (not the partial binary or ternary LLM like BitNet b1.58) to match the…

Computation and Language · Computer Science 2024-07-10 Liqun Ma , Mingjie Sun , Zhiqiang Shen

Corpus distillation for biomedical large language models (LLMs) seeks to address the pressing challenge of insufficient quantity and quality in open-source annotated scientific corpora, which remains a bottleneck for effective LLM training…

Computation and Language · Computer Science 2025-12-19 Meng Xiao , Xunxin Cai , Qingqing Long , Chengrui Wang , Yuanchun Zhou , Hengshu Zhu

In computer vision, the performance of deep neural networks (DNNs) is highly related to the feature extraction ability, i.e., the ability to recognize and focus on key pixel regions in an image. However, in this paper, we quantitatively and…

Computer Vision and Pattern Recognition · Computer Science 2023-05-10 Shanshan Zhong , Wushao Wen , Jinghui Qin , Qiangpu Chen , Zhongzhan Huang

Mass Spectrometry Imaging (MSI), using traditional rectilinear scanning, takes hours to days for high spatial resolution acquisitions. Given that most pixels within a sample's field of view are often neither relevant to underlying…

Image and Video Processing · Electrical Eng. & Systems 2022-10-25 David Helminiak , Hang Hu , Julia Laskin , Dong Hye Ye

Motivation: Exploring drug-protein interactions (DPIs) work as a pivotal step in drug discovery. The fast expansion of available biological data enables computational methods effectively assist in experimental methods. Among them, deep…

Machine Learning · Computer Science 2021-02-01 Yifan Wu , Min Gao , Min Zeng , Feiyang Chen , Min Li , Jie Zhang

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

Machine Learning · Computer Science 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao
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