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Despite the Graph Neural Networks' (GNNs) proficiency in analyzing graph data, achieving high-accuracy and interpretable predictions remains challenging. Existing GNN interpreters typically provide post-hoc explanations disjointed from…

机器学习 · 计算机科学 2024-07-26 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Background: Deep neural networks have proven to be powerful computational tools for modeling, prediction, and generation. However, the workings of these models have generally been opaque. Recent work has shown that the performance of some…

人工智能 · 计算机科学 2023-11-21 Andrew S. Nencka , L. Tugan Muftuler , Peter LaViolette , Kevin M. Koch

Activation functions can have a significant impact on reducing the topological complexity of input data and therefore improve the performance of the model. Selecting a suitable activation function is an essential step in neural model…

计算与语言 · 计算机科学 2023-02-15 Haishuo Fang , Ji-Ung Lee , Nafise Sadat Moosavi , Iryna Gurevych

While deep learning models have demonstrated remarkable success in numerous domains, their black-box nature remains a significant limitation, especially in critical fields such as medical image analysis and inference. Existing…

机器学习 · 计算机科学 2025-05-13 David Zucker

Deep neural networks (NNs) encounter scalability limitations when confronted with a vast array of neurons, thereby constraining their achievable network depth. To address this challenge, we propose an integration of tensor networks (TN)…

无序系统与神经网络 · 物理学 2024-08-20 Saeed S. Jahromi , Roman Orus

In recent years, there has been growing interest in understanding neural architectures' ability to learn to execute discrete algorithms, a line of work often referred to as neural algorithmic reasoning. The goal is to integrate algorithmic…

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Artificial neural network (ANN) potentials enable highly accurate atomistic simulations of complex materials at unprecedented scales. Despite their promise, training ANN potentials to represent intricate potential energy surfaces (PES) with…

Despite their impact on the society, deep neural networks are often regarded as black-box models due to their intricate structures and the absence of explanations for their decisions. This opacity poses a significant challenge to AI systems…

机器学习 · 计算机科学 2024-07-18 Biagio La Rosa

We propose the fully explainable Decision Tree Graph Neural Network (DT+GNN) architecture. In contrast to existing black-box GNNs and post-hoc explanation methods, the reasoning of DT+GNN can be inspected at every step. To achieve this, we…

机器学习 · 计算机科学 2022-05-27 Peter Müller , Lukas Faber , Karolis Martinkus , Roger Wattenhofer

We propose an efficient and interpretable neural network with a novel activation function called the weighted Lehmer transform. This new activation function enables adaptive feature selection and extends to the complex domain, capturing…

机器学习 · 计算机科学 2025-01-28 Masoud Ataei , Xiaogang Wang

Networks of interconnected neurons communicating through spiking signals offer the bedrock of neural computations. Our brains spiking neural networks have the computational capacity to achieve complex pattern recognition and cognitive…

神经与进化计算 · 计算机科学 2024-12-06 Naresh Ravichandran , Anders Lansner , Pawel Herman

Malware detection in modern computing environments demands models that are not only accurate but also interpretable and robust to evasive techniques. Graph neural networks (GNNs) have shown promise in this domain by modeling rich structural…

密码学与安全 · 计算机科学 2026-05-26 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A Ghorbani

Convolutional Neural Networks have dramatically improved in recent years, surpassing human accuracy on certain problems and performance exceeding that of traditional computer vision algorithms. While the compute pattern in itself is…

计算机视觉与模式识别 · 计算机科学 2018-07-10 Michaela Blott , Thomas B. Preusser , Nicholas Fraser , Giulio Gambardella , Kenneth OBrien , Yaman Umuroglu , Miriam Leeser

Deep learning models have achieved state-of-the-art performance in many classification tasks. However, most of them cannot provide an interpretation for their classification results. Machine learning models that are interpretable are…

机器学习 · 计算机科学 2021-11-04 Miles Q. Li , Benjamin C. M. Fung , Adel Abusitta

We characterize the exact solutions to neural network descrambling--a mathematical model for explaining the fully connected layers of trained neural networks (NNs). By reformulating the problem to the minimization of the Brockett function…

机器学习 · 计算机科学 2024-09-04 Shashank Sule , Richard G. Spencer , Wojciech Czaja

The interpretability of deep learning models has raised extended attention these years. It will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks~(RNNs)…

神经与进化计算 · 计算机科学 2020-01-15 Bo-Jian Hou , Zhi-Hua Zhou

Inspired by the immense success of deep learning, graph neural networks (GNNs) are widely used to learn powerful node representations and have demonstrated promising performance on different graph learning tasks. However, most real-world…

机器学习 · 计算机科学 2020-01-24 Kaize Ding , Yichuan Li , Jundong Li , Chenghao Liu , Huan Liu

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

机器学习 · 计算机科学 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Activation functions (AFs) play a pivotal role in the performance of neural networks. The Rectified Linear Unit (ReLU) is currently the most commonly used AF. Several replacements to ReLU have been suggested but improvements have proven…

神经与进化计算 · 计算机科学 2022-06-27 Raz Lapid , Moshe Sipper
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