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Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity prediction, their accuracy is still limited, partially because…

Biomolecules · Quantitative Biology 2024-09-04 Yaosen Min , Ye Wei , Peizhuo Wang , Xiaoting Wang , Han Li , Nian Wu , Stefan Bauer , Shuxin Zheng , Yu Shi , Yingheng Wang , Ji Wu , Dan Zhao , Jianyang Zeng

We address the challenging task of human reaction generation, which aims to generate a corresponding reaction based on an input action. Most of the existing works do not focus on generating and predicting the reaction and cannot generate…

Computer Vision and Pattern Recognition · Computer Science 2023-02-03 Baptiste Chopin , Hao Tang , Naima Otberdout , Mohamed Daoudi , Nicu Sebe

The emergence of different sensors (Near-Infrared, Depth, etc.) is a remedy for the limited application scenarios of traditional RGB camera. The RGB-X tasks, which rely on RGB input and another type of data input to resolve specific…

Computer Vision and Pattern Recognition · Computer Science 2023-06-23 Jin Ma , Jinlong Li , Qing Guo , Tianyun Zhang , Yuewei Lin , Hongkai Yu

Facial emotional recognition is one of the essential tools used by recognition psychology to diagnose patients. Face and facial emotional recognition are areas where machine learning is excelling. Facial Emotion Recognition in an…

Computer Vision and Pattern Recognition · Computer Science 2022-08-08 Nitesh Banskota , Abeer Alsadoon , P. W. C. Prasad , Ahmed Dawoud , Tarik A. Rashid , Omar Hisham Alsadoon

The semi-airborne transient electromagnetic method (SATEM) is capable of conducting rapid surveys over large-scale and hard-to-reach areas. However, the acquired signals are often contaminated by complex noise, which can compromise the…

Machine Learning · Computer Science 2025-03-31 Shuang Wang , Ming Guo , Xuben Wang , Fei Deng , Lifeng Mao , Bin Wang , Wenlong Gao

In the computational prediction of chemical compound properties, molecular descriptors and fingerprints encoded to low dimensional vectors are used. The selection of proper molecular descriptors and fingerprints is both important and…

Machine Learning · Computer Science 2020-10-23 Sangrak Lim , Yong Oh Lee

Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modality, and complex relationships. While traditional models…

Materials Science · Physics 2025-09-22 Vahid Attari , Raymundo Arroyave

Current face reenactment and swapping methods mainly rely on GAN frameworks, but recent focus has shifted to pre-trained diffusion models for their superior generation capabilities. However, training these models is resource-intensive, and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Yue Han , Junwei Zhu , Keke He , Xu Chen , Yanhao Ge , Wei Li , Xiangtai Li , Jiangning Zhang , Chengjie Wang , Yong Liu

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with…

Machine Learning · Computer Science 2025-11-10 Andrew DiGiugno , Ausif Mahmood

Deep learning has emerged as a powerful alternative to hand-crafted methods for emotion recognition on combined acoustic and text modalities. Baseline systems model emotion information in text and acoustic modes independently using Deep…

Audio and Speech Processing · Electrical Eng. & Systems 2020-10-13 Darshana Priyasad , Tharindu Fernando , Simon Denman , Clinton Fookes , Sridha Sridharan

A comprehensive representation of an image requires understanding objects and their mutual relationship, especially in image-to-graph generation, e.g., road network extraction, blood-vessel network extraction, or scene graph generation.…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Suprosanna Shit , Rajat Koner , Bastian Wittmann , Johannes Paetzold , Ivan Ezhov , Hongwei Li , Jiazhen Pan , Sahand Sharifzadeh , Georgios Kaissis , Volker Tresp , Bjoern Menze

Accurate prediction of CB2 receptor ligand activity is pivotal for advancing drug discovery targeting this receptor, which is implicated in inflammation, pain management, and neurodegenerative conditions. Although conventional machine…

Machine Learning · Computer Science 2025-02-19 Jiacheng Xie , Yingrui Ji , Linghuan Zeng , Xi Xiao , Gaofei Chen , Lijing Zhu , Joyanta Jyoti Mondal , Jiansheng Chen

Sequence modelling requires determining which past tokens are causally relevant from the context and their importance: a process inherent to the attention layers in transformers, yet whose underlying learned mechanisms remain poorly…

Machine Learning · Computer Science 2026-04-14 Francesco D'Angelo , Nicolas Flammarion

Efficient and accurate detection of small objects in manufacturing settings, such as defects and cracks, is crucial for ensuring product quality and safety. To address this issue, we proposed a comprehensive strategy by synergizing Faster…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Md Sohag Mia , Abdullah Al Bary Voban , Abu Bakor Hayat Arnob , Abdu Naim , Md Kawsar Ahmed , Md Shariful Islam

We present recurrent transformer networks (RTNs) for obtaining dense correspondences between semantically similar images. Our networks accomplish this through an iterative process of estimating spatial transformations between the input…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Seungryong Kim , Stephen Lin , Sangryul Jeon , Dongbo Min , Kwanghoon Sohn

Pre-trained language models have been found to capture a surprisingly rich amount of lexical knowledge, ranging from commonsense properties of everyday concepts to detailed factual knowledge about named entities. Among others, this makes it…

Computation and Language · Computer Science 2022-09-12 Asahi Ushio , Jose Camacho-Collados , Steven Schockaert

In this paper we present our model on the task of emotion detection in textual conversations in SemEval-2019. Our model extends the Recurrent Convolutional Neural Network (RCNN) by using external fine-tuned word representations and DeepMoji…

Computation and Language · Computer Science 2019-04-03 Peixiang Zhong , Chunyan Miao

Developing machine learning (ML) models for yield prediction of chemical reactions has emerged as an important use case scenario in very recent years. In this space, reaction datasets present a range of challenges mostly stemming from…

Chemical Physics · Physics 2025-02-28 Supratim Ghosh , Nupur Jain , Raghavan B. Sunoj

We propose a self-supervised training approach for learning view-invariant dense visual descriptors using image augmentations. Unlike existing works, which often require complex datasets, such as registered RGBD sequences, we train on an…

Recently, much advance has been made in image captioning, and an encoder-decoder framework has been adopted by all the state-of-the-art models. Under this framework, an input image is encoded by a convolutional neural network (CNN) and then…

Computer Vision and Pattern Recognition · Computer Science 2018-08-01 Wenhao Jiang , Lin Ma , Yu-Gang Jiang , Wei Liu , Tong Zhang
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