Equivariant geometric learning for digital rock physics: estimating formation factor and effective permeability tensors from Morse graph

We present a SE(3)-equivariant graph neural network (GNN) approach that directly predicting the formation factor and effective permeability from micro-CT images. FFT solvers are established to compute both the formation factor and effective permeability, while the topology and geometry of the pore space are represented by a persistence-based Morse graph. Together, they constitute the database for training, validating, and testing the neural networks. While the graph and Euclidean convolutional approaches both employ neural networks to generate low-dimensional latent space to represent the features of the micro-structures for forward predictions, the SE(3) equivariant neural network is found to generate more accurate predictions, especially when the training data is limited. Numerical experiments have also shown that the new SE(3) approach leads to predictions that fulfill the material frame indifference whereas the predictions from classical convolutional neural networks (CNN) may suffer from spurious dependence on the coordinate system of the training data. Comparisons among predictions inferred from training the CNN and those from graph convolutional neural networks (GNN) with and without the equivariant constraint indicate that the equivariant graph neural network seems to perform better than the CNN and GNN without enforcing equivariant constraints

Neural Graph Embedding for Neural Architecture Search

Existing neural architecture search (NAS) methods often operate in discrete or continuous spaces directly, which ignores the graphical topology knowledge of neural networks. This leads to suboptimal search performance and efficiency, given the factor that neural networks are essentially directed acyclic graphs (DAG). In this work, we address this limitation by introducing a novel idea of neural graph embedding (NGE). Specifically, we represent the building block (i.e. the cell) of neural networks with a neural DAG, and learn it by leveraging a Graph Convolutional Network to propagate and model the intrinsic topology information of network architectures. This results in a generic neural network representation integrable with different existing NAS frameworks. Extensive experiments show the superiority of NGE over the state-of-the-art methods on image classification and semantic segmentation

Classification-Aided Robust Multiple Target Tracking Using Neural Enhanced Message Passing

We address the challenge of tracking an unknown number of targets in strong clutter environments using measurements from a radar sensor. Leveraging the range-Doppler spectra information, we identify the measurement classes, which serve as additional information to enhance clutter rejection and data association, thus bolstering the robustness of target tracking. We first introduce a novel neural enhanced message passing approach, where the beliefs obtained by the unified message passing are fed into the neural network as additional information. The output beliefs are then utilized to refine the original beliefs. Then, we propose a classification-aided robust multiple target tracking algorithm, employing the neural enhanced message passing technique. This algorithm is comprised of three modules: a message-passing module, a neural network module, and a Dempster-Shafer module. The message-passing module is used to represent the statistical model by the factor graph and infers target kinematic states, visibility states, and data associations based on the spatial measurement information. The neural network module is employed to extract features from range-Doppler spectra and derive beliefs on whether a measurement is target-generated or clutter-generated. The Dempster-Shafer module is used to fuse the beliefs obtained from both the factor graph and the neural network. As a result, our proposed algorithm adopts a model-and-data-driven framework, effectively enhancing clutter suppression and data association, leading to significant improvements in multiple target tracking performance. We validate the effectiveness of our approach using both simulated and real data scenarios, demonstrating its capability to handle challenging tracking scenarios in practical radar applications.Comment: 15 page

Towards Deeper Graph Neural Networks

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, co-authorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods.Comment: 11 pages, KDD202

GPNet: Simplifying Graph Neural Networks via Multi-channel Geometric Polynomials

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing, over-fitting, difficult to train, and strong homophily assumption. For example, Simple Graph Convolution (SGC) is known to suffer from the first and fourth limitations. To tackle these limitations, we identify a set of key designs including (D1) dilated convolution, (D2) multi-channel learning, (D3) self-attention score, and (D4) sign factor to boost learning from different types (i.e. homophily and heterophily) and scales (i.e. small, medium, and large) of networks, and combine them into a graph neural network, GPNet, a simple and efficient one-layer model. We theoretically analyze the model and show that it can approximate various graph filters by adjusting the self-attention score and sign factor. Experiments show that GPNet consistently outperforms baselines in terms of average rank, average accuracy, complexity, and parameters on semi-supervised and full-supervised tasks, and achieves competitive performance compared to state-of-the-art model with inductive learning task.Comment: 15 pages, 15 figure