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Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug discovery. Most of the conventional DTA prediction methods are simulation-based, which rely heavily on domain knowledge or the assumption of having the…

Machine Learning · Computer Science 2020-04-06 Xuan Lin

Targeted protein degradation (TPD) induced by small molecules has emerged as a rapidly evolving modality in drug discovery, targeting proteins traditionally considered "undruggable". Proteolysis-targeting chimeras (PROTACs) and molecular…

Biomolecules · Quantitative Biology 2025-02-27 Fanglei Xue , Meihan Zhang , Shuqi Li , Xinyu Gao , James A. Wohlschlegel , Wenbing Huang , Yi Yang , Weixian Deng

Deep neural networks (DNNs) have been used to create models for many complex analysis problems like image recognition and medical diagnosis. DNNs are a popular tool within machine learning due to their ability to model complex patterns and…

Machine Learning · Computer Science 2024-05-14 Parth Patil , Ben Boardley , Jack Gardner , Emily Loiselle , Deerajkumar Parthipan

Convolutional Neural Networks (CNNs) are effective models for reducing spectral variations and modeling spectral correlations in acoustic features for automatic speech recognition (ASR). Hybrid speech recognition systems incorporating CNNs…

Computation and Language · Computer Science 2017-01-11 Ying Zhang , Mohammad Pezeshki , Philemon Brakel , Saizheng Zhang , Cesar Laurent Yoshua Bengio , Aaron Courville

Despite the ubiquity of mobile and wearable text messaging applications, the problem of keyboard text decoding is not tackled sufficiently in the light of the enormous success of the deep learning Recurrent Neural Network (RNN) and…

Computation and Language · Computer Science 2017-09-20 Shaona Ghosh , Per Ola Kristensson

Recently using convolutional neural networks (CNNs) has gained popularity in visual tracking, due to its robust feature representation of images. Recent methods perform online tracking by fine-tuning a pre-trained CNN model to the specific…

Computer Vision and Pattern Recognition · Computer Science 2017-08-15 Tianyu Yang , Antoni B. Chan

Purpose: To demonstrate the feasibility and performance of a fully automated deep learning framework to estimate myocardial strain from short-axis cardiac magnetic resonance tagged images. Methods and Materials: In this retrospective…

Circular RNAs (circRNAs) are important components of the non-coding RNA regulatory network. Previous circRNA identification primarily relies on high-throughput RNA sequencing (RNA-seq) data combined with alignment-based algorithms that…

Machine Learning · Computer Science 2025-07-14 Tianyou Jiang

One of the most important factors that contribute to the success of a machine learning model is a good training objective. Training objective crucially influences the model's performance and generalization capabilities. This paper…

Machine Learning · Computer Science 2022-05-10 Tim Poštuvan , Jiaxuan You , Mohammadreza Banaei , Rémi Lebret , Jure Leskovec

Neuron reconstruction is essential to generate exquisite neuron connectivity map for understanding brain function. Despite the significant amount of effect that has been made on automatic reconstruction methods, manual tracing by…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Donghuan Lu , Sujun Zhao , Peng Xie , Kai Ma , Lijuan Liu , Yefeng Zheng

Recent achievements in end-to-end deep learning have encouraged the exploration of tasks dealing with highly structured data with unified deep network models. Having such models for compressing audio signals has been challenging since it…

Machine Learning · Computer Science 2021-07-14 Daniela N. Rim , Inseon Jang , Heeyoul Choi

Shortcut learning, i.e., a model's reliance on undesired features not directly relevant to the task, is a major challenge that severely limits the applications of machine learning algorithms, particularly when deploying them to assist in…

Machine Learning · Computer Science 2025-06-17 Lukas Kuhn , Sari Sadiya , Jorg Schlotterer , Florian Buettner , Christin Seifert , Gemma Roig

Deep learning has gained much success in sentence-level relation classification. For example, convolutional neural networks (CNN) have delivered competitive performance without much effort on feature engineering as the conventional…

Computation and Language · Computer Science 2015-12-29 Dongxu Zhang , Dong Wang

Deep artificial neural networks are powerful tools with many possible applications in nanophotonics. Here, we demonstrate how a deep neural network can be used as a fast, general purpose predictor of the full near-field and far-field…

Computational Physics · Physics 2020-01-28 Peter R. Wiecha , Otto L. Muskens

Deep machine learning methods have been studied for the software trigger of the future PANDA experiment at FAIR, using Monte Carlo simulated data from the GEANT-based detector simulation framework PandaRoot. Ten physics channels that cover…

Instrumentation and Detectors · Physics 2023-05-17 P. Jiang , K. Götzen , R. Kliemt , F. Nerling , K. Peters

Recurrent Neural Networks (RNNs) achieve state-of-the-art results in many sequence-to-sequence modeling tasks. However, RNNs are difficult to train and tend to suffer from overfitting. Motivated by the Data Processing Inequality (DPI), we…

Machine Learning · Statistics 2018-05-24 Ziv Aharoni , Gal Rattner , Haim Permuter

In data-rich domains such as vision, language, and speech, deep learning prevails to deliver high-performance task-specific models and can even learn general task-agnostic representations for efficient finetuning to downstream tasks.…

Machine Learning · Computer Science 2023-12-07 Pin-Yu Chen

Fine-Grained Change Detection and Regression Analysis are essential in many applications of ArtificialIntelligence. In practice, this task is often challenging owing to the lack of reliable ground truth information andcomplexity arising…

Machine Learning · Computer Science 2022-08-12 Niall O' Mahony , Sean Campbell , Lenka Krpalkova , Joseph Walsh , Daniel Riordan

Among the several paradigms of artificial intelligence (AI) or machine learning (ML), a remarkably successful paradigm is deep learning. Deep learning's phenomenal success has been hoped to be interpreted via fundamental research on the…

Machine Learning · Computer Science 2021-11-29 Tilahun M. Getu

The behaviors of deep neural networks (DNNs) are notoriously resistant to human interpretations. In this paper, we propose Hypergradient Data Relevance Analysis, or HYDRA, which interprets the predictions made by DNNs as effects of their…

Machine Learning · Computer Science 2025-04-29 Yuanyuan Chen , Boyang Li , Han Yu , Pengcheng Wu , Chunyan Miao