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Phenotypic drug discovery has attracted widespread attention because of its potential to identify bioactive molecules. Transcriptomic profiling provides a comprehensive reflection of phenotypic changes in cellular responses to external…

Machine Learning · Computer Science 2025-01-16 Hui Liu , Shikai Jin

Understanding how deep learning models predict oncology patient risk can provide critical insights into disease progression, support clinical decision-making, and pave the way for trustworthy and data-driven precision medicine. Building on…

Computer Vision and Pattern Recognition · Computer Science 2024-11-13 Marvin Sextro , Gabriel Dernbach , Kai Standvoss , Simon Schallenberg , Frederick Klauschen , Klaus-Robert Müller , Maximilian Alber , Lukas Ruff

This paper deals with differentiable dynamical models congruent with neural process theories that cast brain function as the hierarchical refinement of an internal generative model explaining observations. Our work extends existing…

Machine Learning · Computer Science 2021-12-10 André Ofner , Sebastian Stober

Deep learning has shown remarkable results for image analysis and is expected to aid individual treatment decisions in health care. To achieve this, deep learning methods need to be promoted from the level of mere associations to being able…

Machine Learning · Computer Science 2022-05-02 Wouter A. C. van Amsterdam , Marinus J. C. Eijkemans

Despite great advances, molecular cancer pathology is often limited to the use of a small number of biomarkers rather than the whole transcriptome, partly due to computational challenges. Here, we introduce a novel architecture of Deep…

Machine Learning · Statistics 2019-08-14 Behrooz Azarkhalili , Ali Saberi , Hamidreza Chitsaz , Ali Sharifi-Zarchi

Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all…

Genomics · Quantitative Biology 2018-11-20 Tianyu Zhang , Liwei Zhang , Philip R. O. Payne , Fuhai Li

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

Machine Learning · Computer Science 2024-02-26 Xiaoqi Wang , Han-Wei Shen

Personalizing drug prescriptions in cancer care based on genomic information requires associating genomic markers with treatment effects. This is an unsolved challenge requiring genomic patient data in yet unavailable volumes as well as…

Robust and efficient interpretation of QSAR methods is quite useful to validate AI prediction rationales with subjective opinion (chemist or biologist expertise), understand sophisticated chemical or biological process mechanisms, and…

Biomolecules · Quantitative Biology 2026-05-05 Jinjiang Guo , Qi Liu , Han Guo , Xi Lu

Deep Learning based models are currently dominating most state-of-the-art solutions for disease prediction. Existing works employ RNNs along with multiple levels of attention mechanisms to provide interpretability. These deep learning…

Machine Learning · Statistics 2022-06-01 Subhadip Maji , Raghav Bali , Sree Harsha Ankem , Kishore V Ayyadevara

Deep learning has achieved remarkable success in processing and managing unstructured data. However, its "black box" nature imposes significant limitations, particularly in sensitive application domains. While existing interpretable machine…

Machine Learning · Computer Science 2025-02-11 Wen-Dong Jiang , Chih-Yung Chang , Show-Jane Yen , Diptendu Sinha Roy

Applying machine learning to molecules is challenging because of their natural representation as graphs rather than vectors.Several architectures have been recently proposed for deep learning from molecular graphs, but they suffer from…

Machine Learning · Statistics 2020-09-15 Jaak Simm , Adam Arany , Edward De Brouwer , Yves Moreau

Skin cancer is one of the most prevalent and potentially life-threatening diseases worldwide, necessitating early and accurate diagnosis to improve patient outcomes. Conventional diagnostic methods, reliant on clinical expertise and…

Computer Vision and Pattern Recognition · Computer Science 2025-01-28 Mirza Ahsan Ullah , Tehseen Zia

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Interpretation and explanation of deep models is critical towards wide adoption of systems that rely on them. In this paper, we propose a novel scheme for both interpretation as well as explanation in which, given a pretrained model, we…

Computer Vision and Pattern Recognition · Computer Science 2019-03-11 Jose Oramas , Kaili Wang , Tinne Tuytelaars

Despite decades of research, understanding human manipulation activities is, and has always been, one of the most attractive and challenging research topics in computer vision and robotics. Recognition and prediction of observed human…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Gamze Akyol , Sanem Sariel , Eren Erdal Aksoy

Accurate and interpretable diagnostic models are crucial in the safety-critical field of medicine. We investigate the interpretability of our proposed biomarker-based lung ultrasound diagnostic pipeline to enhance clinicians' diagnostic…

Accurate brain tumor segmentation from MRI scans is critical for diagnosis and treatment planning. Despite the strong performance of recent deep learning approaches, two fundamental limitations remain: (1) the lack of reliable uncertainty…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Bahram Mohammadi , Yanqiu Wu , Vu Minh Hieu Phan , Sam White , Minh-Son To , Jian Yang , Michael Sheng , Yang Song , Yuankai Qi

We present a method for visualising the response of a deep neural network to a specific input. For image data for instance our method will highlight areas that provide evidence in favor of, and against choosing a certain class. The method…

Computer Vision and Pattern Recognition · Computer Science 2017-06-13 Luisa M. Zintgraf , Taco S. Cohen , Max Welling

Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret…

Machine Learning · Computer Science 2024-01-31 Tianxiang Zhao , Wenchao Yu , Suhang Wang , Lu Wang , Xiang Zhang , Yuncong Chen , Yanchi Liu , Wei Cheng , Haifeng Chen