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There has long been debates on how we could interpret neural networks and understand the decisions our models make. Specifically, why deep neural networks tend to be error-prone when dealing with samples that output low softmax scores. We…

计算机视觉与模式识别 · 计算机科学 2018-12-04 Simiao Zuo , Jialin Wu

Deep neural networks have excelled on a wide range of problems, from vision to language and game playing. Neural networks very gradually incorporate information into weights as they process data, requiring very low learning rates. If the…

The research explores the utilization of a deep learning model employing an attention mechanism in medical text mining. It targets the challenge of analyzing unstructured text information within medical data. This research seeks to enhance…

计算与语言 · 计算机科学 2024-06-04 Lingxi Xiao , Muqing Li , Yinqiu Feng , Meiqi Wang , Ziyi Zhu , Zexi Chen

A white noise analysis of modern deep neural networks is presented to unveil their biases at the whole network level or the single neuron level. Our analysis is based on two popular and related methods in psychophysics and neurophysiology…

计算机视觉与模式识别 · 计算机科学 2019-12-30 Ali Borji , Sikun Lin

A recent study has shown that large-scale visual datasets are very biased: they can be easily classified by modern neural networks. However, the concrete forms of bias among these datasets remain unclear. In this study, we propose a…

计算机视觉与模式识别 · 计算机科学 2024-12-04 Boya Zeng , Yida Yin , Zhuang Liu

AI systems frequently exhibit and amplify social biases, leading to harmful consequences in critical areas. This study introduces a novel encoder-decoder approach that leverages model gradients to learn a feature neuron encoding societal…

机器学习 · 计算机科学 2026-03-10 Jonathan Drechsel , Steffen Herbold

The limited transparency of the inner decision-making mechanism in deep neural networks (DNN) and other machine learning (ML) models has hindered their application in several domains. In order to tackle this issue, feature attribution…

机器学习 · 计算机科学 2023-10-30 Dong Qin , George Amariucai , Daji Qiao , Yong Guan , Shen Fu

The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional computationally intensive methods, but resulting in poor…

生物大分子 · 定量生物学 2023-11-29 Shikun Feng , Minghao Li , Yinjun Jia , Weiying Ma , Yanyan Lan

To plan safe maneuvers and act with foresight, autonomous vehicles must be capable of accurately predicting the uncertain future. In the context of autonomous driving, deep neural networks have been successfully applied to learning…

机器人学 · 计算机科学 2022-08-02 Salar Arbabi , Davide Tavernini , Saber Fallah , Richard Bowden

The goal of structure-based drug discovery is to find small molecules that bind to a given target protein. Deep learning has been used to generate drug-like molecules with certain cheminformatic properties, but has not yet been applied to…

定量方法 · 定量生物学 2022-01-27 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

In this paper, we present a strategy for training convolutional neural networks to effectively resolve interference arising from competing hypotheses relating to inter-categorical information throughout the network. The premise is based on…

计算机视觉与模式识别 · 计算机科学 2021-08-24 Md Amirul Islam , Matthew Kowal , Konstantinos G. Derpanis , Neil D. B. Bruce

Deep networks tend to learn spurious feature-label correlations in real-world supervised learning tasks. This vulnerability is aggravated in distillation, where a student model may have lesser representational capacity than the…

机器学习 · 计算机科学 2024-12-17 Rishabh Tiwari , Durga Sivasubramanian , Anmol Mekala , Ganesh Ramakrishnan , Pradeep Shenoy

Recently, deep feedforward neural networks have achieved considerable success in modeling biological sensory processing, in terms of reproducing the input-output map of sensory neurons. However, such models raise profound questions about…

神经元与认知 · 定量生物学 2019-12-16 Hidenori Tanaka , Aran Nayebi , Niru Maheswaranathan , Lane McIntosh , Stephen A. Baccus , Surya Ganguli

Often in language and other areas of cognition, whether two components of an object are identical or not determines if it is well formed. We call such constraints identity effects. When developing a system to learn well-formedness from…

机器学习 · 计算机科学 2022-03-03 S. Brugiapaglia , M. Liu , P. Tupper

The identification of novel drug-target (DT) interactions is a substantial part of the drug discovery process. Most of the computational methods that have been proposed to predict DT interactions have focused on binary classification, where…

机器学习 · 统计学 2019-02-06 Hakime Öztürk , Elif Ozkirimli , Arzucan Özgür

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

机器学习 · 计算机科学 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Deep learning shows promise for medical image analysis but lacks interpretability, hindering adoption in healthcare. Attribution techniques that explain model reasoning may increase trust in deep learning among clinical stakeholders. This…

机器学习 · 计算机科学 2023-08-08 Yusuf Brima , Marcellin Atemkeng

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

化学物理 · 物理学 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

Predictions of nuclear properties far from measured data are inherently imprecise because of uncertainties in our knowledge of nuclear forces and in our treatment of quantum many-body effects in strongly-interacting systems. While the model…

核理论 · 物理学 2022-09-14 Rodrigo Navarro Perez , Nicolas Schunck

Datasets play an important role in the progress of facial expression recognition algorithms, but they may suffer from obvious biases caused by different cultures and collection conditions. To look deeper into this bias, we first conduct…

计算机视觉与模式识别 · 计算机科学 2020-04-17 Shan Li , Weihong Deng