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Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

定量方法 · 定量生物学 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

In this paper, we develop novel techniques that can be used to alter the architecture of a neural network, while maintaining the function it represents. Such operations are known as function preserving transforms and have proven useful in…

机器学习 · 计算机科学 2024-10-16 Michael Painter

Interpretable brain network models for disease prediction are of great value for the advancement of neuroscience. GNNs are promising to model complicated network data, but they are prone to overfitting and suffer from poor interpretability,…

机器学习 · 计算机科学 2021-07-13 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Despite the success of neural networks (NNs), there is still a concern among many over their "black box" nature. Why do they work? Here we present a simple analytic argument that NNs are in fact essentially polynomial regression models.…

机器学习 · 计算机科学 2019-04-11 Xi Cheng , Bohdan Khomtchouk , Norman Matloff , Pete Mohanty

bnlearn is an R package which includes several algorithms for learning the structure of Bayesian networks with either discrete or continuous variables. Both constraint-based and score-based algorithms are implemented, and can use the…

机器学习 · 统计学 2010-07-13 Marco Scutari

The importance of explainability in AI has become a pressing concern, for which several explainable AI (XAI) approaches have been recently proposed. However, most of the available XAI techniques are post-hoc methods, which however may be…

机器学习 · 计算机科学 2022-04-15 Leonardo Lucio Custode , Giovanni Iacca

Radio-interferometric (RI) imaging entails solving high-resolution high-dynamic range inverse problems from large data volumes. Recent image reconstruction techniques grounded in optimization theory have demonstrated remarkable capability…

天体物理仪器与方法 · 物理学 2024-05-02 Amir Aghabiglou , Chung San Chu , Arwa Dabbech , Yves Wiaux

Although Deep Neural Networks (DNNs) have great generalization and prediction capabilities, their functioning does not allow a detailed explanation of their behavior. Opaque deep learning models are increasingly used to make important…

计算机视觉与模式识别 · 计算机科学 2022-09-30 Adrien Bennetot , Gianni Franchi , Javier Del Ser , Raja Chatila , Natalia Diaz-Rodriguez

The ubiquity of neural networks (NNs) in real-world applications, from healthcare to natural language processing, underscores their immense utility in capturing complex relationships within high-dimensional data. However, NNs come with…

机器学习 · 计算机科学 2024-07-08 Chang Yue , Niraj K. Jha

Providing explanations for deep neural networks (DNNs) is essential for their use in domains wherein the interpretability of decisions is a critical prerequisite. Despite the plethora of work on interpreting DNNs, most existing solutions…

机器学习 · 计算机科学 2021-01-26 Xinyang Zhang , Ren Pang , Shouling Ji , Fenglong Ma , Ting Wang

Deep reinforcement learning (DRL) has achieved significant breakthroughs in various tasks. However, most DRL algorithms suffer a problem of generalizing the learned policy which makes the learning performance largely affected even by minor…

机器学习 · 计算机科学 2019-07-11 Zhengyao Jiang , Shan Luo

The lack of interpretability and transparency are preventing economists from using advanced tools like neural networks in their empirical research. In this paper, we propose a class of interpretable neural network models that can achieve…

计量经济学 · 经济学 2020-12-01 Yucheng Yang , Zhong Zheng , Weinan E

Deep Reinforcement Learning uses a deep neural network to encode a policy, which achieves very good performance in a wide range of applications but is widely regarded as a black box model. A more interpretable alternative to deep networks…

机器学习 · 计算机科学 2022-09-09 Arne Gevaert , Jonathan Peck , Yvan Saeys

Deep learning as represented by the artificial deep neural networks (DNNs) has achieved great success in many important areas that deal with text, images, videos, graphs, and so on. However, the black-box nature of DNNs has become one of…

机器学习 · 计算机科学 2021-09-29 Fenglei Fan , Jinjun Xiong , Mengzhou Li , Ge Wang

Artificial intelligence (AI) systems power the world we live in. Deep neural networks (DNNs) are able to solve tasks in an ever-expanding landscape of scenarios, but our eagerness to apply these powerful models leads us to focus on their…

计算机视觉与模式识别 · 计算机科学 2022-04-22 Loris Giulivi , Mark James Carman , Giacomo Boracchi

Neurosymbolic AI combines the interpretability, parsimony, and explicit reasoning of classical symbolic approaches with the statistical learning of data-driven neural approaches. Models and policies that are simultaneously differentiable…

人工智能 · 计算机科学 2024-02-09 Peter Graf , Patrick Emami

Neural networks are important tools for data-intensive analysis and are commonly applied to model non-linear relationships between dependent and independent variables. However, neural networks are usually seen as "black boxes" that offer…

机器学习 · 计算机科学 2023-05-05 J. Pizarroso , J. Portela , A. Muñoz

Artificial intelligence (AI) has emerged as a transformative force across industries, driven by advances in deep learning and natural language processing, and fueled by large-scale data and computing resources. Despite its rapid adoption,…

机器学习 · 计算机科学 2025-07-28 Sebastian Seidel , Uwe M. Borghoff

Deep learning methods have shown great success in several domains as they process a large amount of data efficiently, capable of solving complex classification, forecast, segmentation, and other tasks. However, they come with the inherent…

人工智能 · 计算机科学 2020-11-20 Dominique Mercier , Andreas Dengel , Sheraz Ahmed

Prototype models are an important method for explainable artificial intelligence (XAI) and interpretable machine learning. In this paper, we perform an in-depth analysis of a set of prominent prototype models including ProtoPNet, ProtoPool…

机器学习 · 计算机科学 2025-11-24 Philipp Schlinge , Steffen Meinert , Martin Atzmueller