Supply Chain Network Extraction and Entity Classification Leveraging Large Language Models

Supply chain networks are critical to the operational efficiency of industries, yet their increasing complexity presents significant challenges in mapping relationships and identifying the roles of various entities. Traditional methods for constructing supply chain networks rely heavily on structured datasets and manual data collection, limiting their scope and efficiency. In contrast, recent advancements in Natural Language Processing (NLP) and large language models (LLMs) offer new opportunities for discovering and analyzing supply chain networks using unstructured text data. This paper proposes a novel approach that leverages LLMs to extract and process raw textual information from publicly available sources to construct a comprehensive supply chain graph. We focus on the civil engineering sector as a case study, demonstrating how LLMs can uncover hidden relationships among companies, projects, and other entities. Additionally, we fine-tune an LLM to classify entities within the supply chain graph, providing detailed insights into their roles and relationships. The results show that domain-specific fine-tuning improves classification accuracy, highlighting the potential of LLMs for industry-specific supply chain analysis. Our contributions include the development of a supply chain graph for the civil engineering sector, as well as a fine-tuned LLM model that enhances entity classification and understanding of supply chain networks.

Heterogeneous Graph Sequence Neural Networks for Dynamic Traffic Assignment

Traffic assignment and traffic flow prediction provide critical insights for urban planning, traffic management, and the development of intelligent transportation systems. An efficient model for calculating traffic flows over the entire transportation network could provide a more detailed and realistic understanding of traffic dynamics. However, existing traffic prediction approaches, such as those utilizing graph neural networks, are typically limited to locations where sensors are deployed and cannot predict traffic flows beyond sensor locations. To alleviate this limitation, inspired by fundamental relationship that exists between link flows and the origin-destination (OD) travel demands, we proposed the Heterogeneous Spatio-Temporal Graph Sequence Network (HSTGSN). HSTGSN exploits dependency between origin and destination nodes, even when it is long-range, and learns implicit vehicle route choices under different origin-destination demands. This model is based on a heterogeneous graph which consists of road links, OD links (virtual links connecting origins and destinations) and a spatio-temporal graph encoder-decoder that captures the spatio-temporal relationship between OD demands and flow distribution. We will show how the graph encoder-decoder is able to recover the incomplete information in the OD demand, by using node embedding from the graph decoder to predict the temporal changes in flow distribution. Using extensive experimental studies on real-world networks with complete/incomplete OD demands, we demonstrate that our method can not only capture the implicit spatio-temporal relationship between link traffic flows and OD demands but also achieve accurate prediction performance and generalization capability.

Physics-Informed Geometry-Aware Neural Operator

Engineering design problems often involve solving parametric Partial Differential Equations (PDEs) under variable PDE parameters and domain geometry. Recently, neural operators have shown promise in learning PDE operators and quickly predicting the PDE solutions. However, training these neural operators typically requires large datasets, the acquisition of which can be prohibitively expensive. To overcome this, physics-informed training offers an alternative way of building neural operators, eliminating the high computational costs associated with Finite Element generation of training data. Nevertheless, current physics-informed neural operators struggle with limitations, either in handling varying domain geometries or varying PDE parameters. In this research, we introduce a novel method, the Physics-Informed Geometry-Aware Neural Operator (PI-GANO), designed to simultaneously generalize across both PDE parameters and domain geometries. We adopt a geometry encoder to capture the domain geometry features, and design a novel pipeline to integrate this component within the existing DCON architecture. Numerical results demonstrate the accuracy and efficiency of the proposed method.

Physics-informed Mesh-independent Deep Compositional Operator Network

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which learn mappings from parameters to solutions, have been successfully used. However, the training of neural operators typically demands large training datasets, the acquisition of which can be prohibitively expensive. To address this challenge, physics-informed training can offer a cost-effective strategy. However, current physics-informed neural operators face limitations, either in handling irregular domain shapes or in generalization to various discretizations of PDE parameters with variable mesh sizes. In this research, we introduce a novel physics-informed model architecture which can generalize to parameter discretizations of variable size and irregular domain shapes. Particularly, inspired by deep operator neural networks, our model involves a discretization-independent learning of parameter embedding repeatedly, and this parameter embedding is integrated with the response embeddings through multiple compositional layers, for more expressivity. Numerical results demonstrate the accuracy and efficiency of the proposed method.

Heterogeneous Graph Neural Networks for Data-driven Traffic Assignment

The traffic assignment problem is one of the significant components of traffic flow analysis for which various solution approaches have been proposed. However, deploying these approaches for large-scale networks poses significant challenges. In this paper, we leverage the power of heterogeneous graph neural networks to propose a novel data-driven approach for traffic assignment and traffic flow learning. The proposed model is capable of capturing spatial traffic patterns across different links, yielding highly accurate results. We present numerical experiments on urban transportation networks and show that the proposed heterogeneous graph neural network model outperforms other conventional neural network models in terms of convergence rate, training loss, and prediction accuracy. Notably, the proposed heterogeneous graph neural network model can also be generalized to different network topologies. This approach offers a promising solution for complex traffic flow analysis and prediction, enhancing our understanding and management of a wide range of transportation systems.

Attention-based Spatial-Temporal Graph Neural ODE for Traffic Prediction

Traffic forecasting is an important issue in intelligent traffic systems (ITS). Graph neural networks (GNNs) are effective deep learning models to capture the complex spatio-temporal dependency of traffic data, achieving ideal prediction performance. In this paper, we propose attention-based graph neural ODE (ASTGODE) that explicitly learns the dynamics of the traffic system, which makes the prediction of our machine learning model more explainable. Our model aggregates traffic patterns of different periods and has satisfactory performance on two real-world traffic data sets. The results show that our model achieves the highest accuracy of the root mean square error metric among all the existing GNN models in our experiments.

GNN-based physics solver for time-independent PDEs

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of requiring long-range exchange of information across the computational domain for obtaining accurate predictions. In the context of graph neural networks (GNNs), this calls for deeper networks, which, in turn, may compromise or slow down the training process. In this work, we present two GNN architectures to overcome this challenge - the Edge Augmented GNN and the Multi-GNN. We show that both these networks perform significantly better (by a factor of 1.5 to 2) than baseline methods when applied to time-independent solid mechanics problems. Furthermore, the proposed architectures generalize well to unseen domains, boundary conditions, and materials. Here, the treatment of variable domains is facilitated by a novel coordinate transformation that enables rotation and translation invariance. By broadening the range of problems that neural operators based on graph neural networks can tackle, this paper provides the groundwork for their application to complex scientific and industrial settings.

FO-PINNs: A First-Order formulation for Physics Informed Neural Networks

We present FO-PINNs, physics-informed neural networks that are trained using the first-order formulation of the Partial Differential Equation (PDE) losses. We show that FO-PINNs offer significantly higher accuracy in solving parameterized systems compared to traditional PINNs, and reduce time-per-iteration by removing the extra backpropagations needed to compute the second or higher-order derivatives. Additionally, unlike standard PINNs, FO-PINNs can be used with exact imposition of boundary conditions using approximate distance functions, and can be trained using Automatic Mixed Precision (AMP) to further speed up the training. Through two Helmholtz and Navier-Stokes examples, we demonstrate the advantages of FO-PINNs over traditional PINNs in terms of accuracy and training speedup.

Graph Neural Network Surrogate for seismic reliability analysis of highway bridge system

Rapid reliability assessment of transportation networks can enhance preparedness, risk mitigation and response management procedures related to these systems. Network reliability approaches commonly consider network-level responses, and due to computational cost do not consider the more detailed node-level responses. In this paper, we propose a rapid seismic reliability assessment approach for bridge networks based on graph neural networks, where node-level connectivities, between points of interest and other nodes, are quantified under probabilistic bridge conditions and earthquake events. Via numerical experiments on transportation systems in California, we demonstrate the accuracy, computational efficiency and robustness of the proposed approach compared to the Monte Carlo approach.

Explainable Graph Pyramid Autoformer for Long-Term Traffic Forecasting

Accurate traffic forecasting is vital to an intelligent transportation system. Although many deep learning models have achieved state-of-art performance for short-term traffic forecasting of up to 1 hour, long-term traffic forecasting that spans multiple hours remains a major challenge. Moreover, most of the existing deep learning traffic forecasting models are black box, presenting additional challenges related to explainability and interpretability. We develop Graph Pyramid Autoformer (X-GPA), an explainable attention-based spatial-temporal graph neural network that uses a novel pyramid autocorrelation attention mechanism. It enables learning from long temporal sequences on graphs and improves long-term traffic forecasting accuracy. Our model can achieve up to 35 % better long-term traffic forecast accuracy than that of several state-of-the-art methods. The attention-based scores from the X-GPA model provide spatial and temporal explanations based on the traffic dynamics, which change for normal vs. peak-hour traffic and weekday vs. weekend traffic.