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Graph structured data has wide applicability in various domains such as physics, chemistry, biology, computer vision, and social networks, to name a few. Recently, graph neural networks (GNN) were shown to be successful in effectively…
Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…
The lack of interpretability is an inevitable problem when using neural network models in real applications. In this paper, an explainable neural network based on generalized additive models with structured interactions (GAMI-Net) is…
Deep neural networks have demonstrated remarkable performance across various domains, yet their decision-making processes remain opaque. Although many explanation methods are dedicated to bringing the obscurity of DNNs to light, they…
Activation functions play critical roles in neural networks, yet current off-the-shelf neural networks pay little attention to the specific choice of activation functions used. Here we show that data-aware customization of activation…
Despite broad interest in applying deep learning techniques to scientific discovery, learning interpretable formulas that accurately describe scientific data is very challenging because of the vast landscape of possible functions and the…
Understanding the internal representations and decision mechanisms of deep neural networks remains a critical open challenge. While existing interpretability methods often identify influential input regions, they may not elucidate how a…
Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…
The analogy between Gaussian processes (GPs) and deep artificial neural networks (ANNs) has received a lot of interest, and has shown promise to unbox the blackbox of deep ANNs. Existing theoretical works put strict assumptions on the ANN…
Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…
In this contribution, we provide a comprehensive evaluation of graph neural networks applied to Boolean satisfiability problems, accompanied by an intuitive explanation of the mechanisms enabling the model to generalize to different…
Understanding internal feature representations of deep neural networks (DNNs) is a fundamental step toward model interpretability. Inspired by neuroscience methods that probe biological neurons using visual stimuli, recent deep learning…
This paper presents a new neural network (NN) paradigm for scalable and generalizable stability analysis of power systems. The paradigm consists of two parts: the neural stability descriptor and the sample-augmented iterative training…
Graph Neural Networks (GNNs) are a popular approach for predicting graph structured data. As GNNs tightly entangle the input graph into the neural network structure, common explainable AI approaches are not applicable. To a large extent,…
Many neural network architectures rely on the choice of the activation function for each hidden layer. Given the activation function, the neural network is trained over the bias and the weight parameters. The bias catches the center of the…
Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…
Deep neural networks often suffer from poor performance or even training failure due to the ill-conditioned problem, the vanishing/exploding gradient problem, and the saddle point problem. In this paper, a novel method by acting the…
The need for more transparency of the decision-making processes in artificial neural networks steadily increases driven by their applications in safety critical and ethically challenging domains such as autonomous driving or medical…
Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…
The current understanding of deep neural networks can only partially explain how input structure, network parameters and optimization algorithms jointly contribute to achieve the strong generalization power that is typically observed in…