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In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our…

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

Genomics · Quantitative Biology 2024-01-25 Bingjun Li , Sheida Nabavi

This paper proposes a generic method to learn interpretable convolutional filters in a deep convolutional neural network (CNN) for object classification, where each interpretable filter encodes features of a specific object part. Our method…

Machine Learning · Computer Science 2020-03-13 Quanshi Zhang , Xin Wang , Ying Nian Wu , Huilin Zhou , Song-Chun Zhu

Deep learning models have achieved promising results in breast cancer classification, yet their 'black-box' nature raises interpretability concerns. This research addresses the crucial need to gain insights into the decision-making process…

Computer Vision and Pattern Recognition · Computer Science 2024-08-26 Ann-Kristin Balve , Peter Hendrix

Motivation: Gene selection has become a common task in most gene expression studies. The objective of such research is often to identify the smallest possible set of genes that can still achieve good predictive performance. The problem of…

We explore deep generative models to generate case-based explanations in a medical federated learning setting. Explaining AI model decisions through case-based interpretability is paramount to increasing trust and allowing widespread…

Machine Learning · Computer Science 2024-08-27 Laura Latorre , Liliana Petrychenko , Regina Beets-Tan , Taisiya Kopytova , Wilson Silva

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

Machine Learning · Computer Science 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Predicting clinical outcomes to anti-cancer drugs on a personalized basis is challenging in cancer treatment due to the heterogeneity of tumors. Traditional computational efforts have been made to model the effect of drug response on…

Machine Learning · Computer Science 2022-07-12 Jie Gao , Jing Hu , Wanqing Sun , Yili Shen , Xiaonan Zhang , Xiaomin Fang , Fan Wang , Guodong Zhao

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

Machine Learning · Computer Science 2025-10-14 Maya Bechler-Speicher , Amir Globerson , Ran Gilad-Bachrach

Exponential growth in Electronic Healthcare Records (EHR) has resulted in new opportunities and urgent needs for discovery of meaningful data-driven representations and patterns of diseases in Computational Phenotyping research. Deep…

Machine Learning · Statistics 2015-12-14 Zhengping Che , Sanjay Purushotham , Robinder Khemani , Yan Liu

Multi-sourced datasets are common in studies of variable interactions, for example, individual-level fMRI integration, cross-domain recommendation, etc, where each source induces a related but distinct dependency structure. Joint learning…

Methodology · Statistics 2025-12-08 Shixiang Liu , Yanhang Zhang , Zhifan Li , Jianxin Yin

A variety of methods have been proposed for interpreting nodes in deep neural networks, which typically involve scoring nodes at lower layers with respect to their effects on the output of higher-layer nodes (where lower and higher layers…

Machine Learning · Computer Science 2018-12-04 Jonathan Warrell , Hussein Mohsen , Mark Gerstein

Dose-response prediction in cancer is an active application field in machine learning. Using large libraries of \textit{in-vitro} drug sensitivity screens, the goal is to develop accurate predictive models that can be used to guide…

Quantitative Methods · Quantitative Biology 2024-07-02 Leiv Rønneberg , Vidhi Lalchand , Paul D. W. Kirk

Many machine learning models have been proposed to classify phenotypes from gene expression data. In addition to their good performance, these models can potentially provide some understanding of phenotypes by extracting explanations for…

Genomics · Quantitative Biology 2024-02-05 Myriam Bontonou , Anaïs Haget , Maria Boulougouri , Benjamin Audit , Pierre Borgnat , Jean-Michel Arbona

We outline an inherent weakness of tensor factorization models when latent factors are expressed as a function of side information and propose a novel method to mitigate this weakness. We coin our method \textit{Kernel Fried Tensor}(KFT)…

Machine Learning · Statistics 2020-02-13 Robert Hu , Geoff K. Nicholls , Dino Sejdinovic

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

The vast amount of sequencing data presently available allow the scientific community to explore a range of genetic variables that may drive and progress cancer. A myriad of predictive tools has been proposed, allowing researchers and…

Genomics · Quantitative Biology 2023-03-31 Mona Nourbakhsh , Kristine Degn , Astrid Saksager , Matteo Tiberti , Elena Papaleo

Radiation response in cancer is shaped by complex, patient specific biology, yet current treatment strategies often rely on uniform dose prescriptions without accounting for tumor heterogeneity. In this study, we introduce a meta learning…

Medical Physics · Physics 2025-08-12 Hao Peng , Yuanyuan Zhang , Steve Jiang , Robert Timmerman , John Minna

Over the past decades, classification models have proven to be essential machine learning tools given their potential and applicability in various domains. In these years, the north of the majority of the researchers had been to improve…

Machine Learning · Computer Science 2020-12-11 Mário Popolin Neto , Fernando V. Paulovich