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Deep neural networks (DNN) have achieved unprecedented performance in computer-vision tasks almost ubiquitously in business, technology, and science. While substantial efforts are made to engineer highly accurate architectures and provide…

图像与视频处理 · 电气工程与系统科学 2022-09-08 Sumedha Singla

As Graph Neural Networks (GNNs) are widely adopted in digital pathology, there is increasing attention to developing explanation models (explainers) of GNNs for improved transparency in clinical decisions. Existing explainers discover an…

机器学习 · 计算机科学 2021-12-21 Junchi Yu , Tingyang Xu , Ran He

Despite their success and widespread adoption, the opaque nature of deep neural networks (DNNs) continues to hinder trust, especially in critical applications. Current interpretability solutions often yield inconsistent or oversimplified…

机器学习 · 计算机科学 2024-10-10 Alec F. Diallo , Vaishak Belle , Paul Patras

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

机器学习 · 计算机科学 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

生物大分子 · 定量生物学 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Recently, the attention-enhanced multi-layer encoder, such as Transformer, has been extensively studied in Machine Reading Comprehension (MRC). To predict the answer, it is common practice to employ a predictor to draw information only from…

计算与语言 · 计算机科学 2021-02-03 Nuo Chen , Fenglin Liu , Chenyu You , Peilin Zhou , Yuexian Zou

Decision trees are ubiquitous in machine learning for their ease of use and interpretability. Yet, these models are not typically employed in reinforcement learning as they cannot be updated online via stochastic gradient descent. We…

机器学习 · 计算机科学 2020-06-29 Andrew Silva , Taylor Killian , Ivan Dario Jimenez Rodriguez , Sung-Hyun Son , Matthew Gombolay

Neural networks have greatly boosted performance in computer vision by learning powerful representations of input data. The drawback of end-to-end training for maximal overall performance are black-box models whose hidden representations…

计算机视觉与模式识别 · 计算机科学 2020-04-29 Patrick Esser , Robin Rombach , Björn Ommer

The interpretability of neural networks has recently received extensive attention. Previous prototype-based explainable networks involved prototype activation in both reasoning and interpretation processes, requiring specific explainable…

计算机视觉与模式识别 · 计算机科学 2022-11-22 Yitao Peng , Yihang Liu , Longzhen Yang , Lianghua He

Deep neural networks exhibit remarkable performance, yet their black-box nature limits their utility in fields like healthcare where interpretability is crucial. Existing explainability approaches often sacrifice accuracy and lack…

机器学习 · 计算机科学 2025-04-08 Linhui Huang , Sayeri Lala , Niraj K. Jha

Deep models have advanced prediction in many domains, but their lack of interpretability remains a key barrier to the adoption in many real world applications. There exists a large body of work aiming to help humans understand these black…

机器学习 · 计算机科学 2019-08-15 Mike Wu , Sonali Parbhoo , Michael C. Hughes , Volker Roth , Finale Doshi-Velez

GNN-based methods have achieved excellent results as a mainstream task in drug response prediction tasks in recent years. Traditional GNN methods use only the atoms in a drug molecule as nodes to obtain the representation of the molecular…

生物大分子 · 定量生物学 2024-12-12 Kun Li , Jia Wu , Bo Du , Sergey V. Petoukhov , Huiting Xu , Zheman Xiao , Wenbin Hu

Anti-cancer drug sensitivity prediction using deep learning models for individual cell line is a significant challenge in personalized medicine. REFINED (REpresentation of Features as Images with NEighborhood Dependencies) CNN…

机器学习 · 计算机科学 2021-07-22 Omid Bazgir , Souparno Ghosh , Ranadip Pal

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

机器学习 · 计算机科学 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu

Diagnosis prediction is a critical task in healthcare, where timely and accurate identification of medical conditions can significantly impact patient outcomes. Traditional machine learning and deep learning models have achieved notable…

机器学习 · 计算机科学 2025-01-09 Qiuhao Lu , Rui Li , Elham Sagheb , Andrew Wen , Jinlian Wang , Liwei Wang , Jungwei W. Fan , Hongfang Liu

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

定量方法 · 定量生物学 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

Artificial intelligence (AI) is transforming cancer diagnosis and treatment. The intricate nature of this disease necessitates the collaboration of diverse stakeholders with varied expertise to ensure the effectiveness of cancer research.…

数字图书馆 · 计算机科学 2025-12-30 Shahab Mosallaie , Andrea Schiffauerova , Ashkan Ebadi

Graphs can be used to effectively represent complex data structures. Learning these irregular data in graphs is challenging and still suffers from shallow learning. Applying deep learning on graphs has recently showed good performance in…

机器学习 · 计算机科学 2020-09-16 Thosini Bamunu Mudiyanselage , Xiujuan Lei , Nipuna Senanayake , Yanqing Zhang , Yi Pan

Accurate and transparent prediction of cancer survival times on the level of individual patients can inform and improve patient care and treatment practices. In this paper, we design a model that concurrently learns to accurately predict…

机器学习 · 计算机科学 2018-01-31 Maruan Al-Shedivat , Avinava Dubey , Eric P. Xing

Interpretability research often adopts a neuron-centric lens, treating individual neurons as the fundamental units of explanation. However, neuron-level explanations can be undermined by superposition, where single units respond to mixtures…

计算机视觉与模式识别 · 计算机科学 2026-03-17 Julien Colin , Lore Goetschalckx , Thomas Fel , Victor Boutin , Thomas Serre , Nuria Oliver