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Graph Neural Networks deliver strong classification results but often suffer from poor calibration performance, leading to overconfidence or underconfidence. This is particularly problematic in high stakes applications where accurate uncertainty estimates are essential. Existing post hoc methods, such as temperature scaling, fail to effectively utilize graph structures, while current GNN calibration methods often overlook the potential of leveraging diverse input information and model ensembles jointly. In the paper, we propose Graph Ensemble Temperature Scaling, a novel calibration framework that combines input and model ensemble strategies within a Graph Mixture of Experts archi SOTA calibration techniques, reducing expected calibration error by 25 percent across 10 GNN benchmark datasets. Additionally, GETS is computationally efficient, scalable, and capable of selecting effective input combinations for improved calibration performance.

Quantifying uncertainty is crucial for robust and reliable predictions. However, existing spatiotemporal deep learning mostly focuses on deterministic prediction, overlooking the inherent uncertainty in such prediction. Particularly, highly-granular spatiotemporal datasets are often sparse, posing extra challenges in prediction and uncertainty quantification. To address these issues, this paper introduces a novel post-hoc Sparsity-awar Uncertainty Calibration (SAUC) framework, which calibrates uncertainty in both zero and non-zero values. To develop SAUC, we firstly modify the state-of-the-art deterministic spatiotemporal Graph Neural Networks (ST-GNNs) to probabilistic ones in the pre-calibration phase. Then we calibrate the probabilistic ST-GNNs for zero and non-zero values using quantile approaches.Through extensive experiments, we demonstrate that SAUC can effectively fit the variance of sparse data and generalize across two real-world spatiotemporal datasets at various granularities. Specifically, our empirical experiments show a 20\% reduction in calibration errors in zero entries on the sparse traffic accident and urban crime prediction. Overall, this work demonstrates the theoretical and empirical values of the SAUC framework, thus bridging a significant gap between uncertainty quantification and spatiotemporal prediction., Comment: Paper accepted by ACM SIGSPATIAL 2024

Transportation mode share analysis is important to various real-world transportation tasks as it helps researchers understand the travel behaviors and choices of passengers. A typical example is the prediction of communities' travel mode share by accounting for their sociodemographics like age, income, etc., and travel modes' attributes (e.g. travel cost and time). However, there exist only limited efforts in integrating the structure of the urban built environment, e.g., road networks, into the mode share models to capture the impacts of the built environment. This task usually requires manual feature engineering or prior knowledge of the urban design features. In this study, we propose deep hybrid models (DHM), which directly combine road networks and sociodemographic features as inputs for travel mode share analysis. Using graph embedding (GE) techniques, we enhance travel demand models with a more powerful representation of urban structures. In experiments of mode share prediction in Chicago, results demonstrate that DHM can provide valuable spatial insights into the sociodemographic structure, improving the performance of travel demand models in estimating different mode shares at the city level. Specifically, DHM improves the results by more than 20\% while retaining the interpretation power of the choice models, demonstrating its superiority in interpretability, prediction accuracy, and geographical insights., Comment: 29 pages

Citywalk, a recently popular form of urban travel, requires genuine personalization and understanding of fine-grained requests compared to traditional itinerary planning. In this paper, we introduce the novel task of Open-domain Urban Itinerary Planning (OUIP), which generates personalized urban itineraries from user requests in natural language. We then present ITINERA, an OUIP system that integrates spatial optimization with large language models to provide customized urban itineraries based on user needs. This involves decomposing user requests, selecting candidate points of interest (POIs), ordering the POIs based on cluster-aware spatial optimization, and generating the itinerary. Experiments on real-world datasets and the performance of the deployed system demonstrate our system's capacity to deliver personalized and spatially coherent itineraries compared to current solutions. Source codes of ITINERA are available at https://github.com/YihongT/ITINERA.

Time Series Supplier Allocation (TSSA) poses a complex NP-hard challenge, aimed at refining future order dispatching strategies to satisfy order demands with maximum supply efficiency fully. Traditionally derived from financial portfolio management, the Black-Litterman (BL) model offers a new perspective for the TSSA scenario by balancing expected returns against insufficient supply risks. However, its application within TSSA is constrained by the reliance on manually constructed perspective matrices and spatio-temporal market dynamics, coupled with the absence of supervisory signals and data unreliability inherent to supplier information. To solve these limitations, we introduce the pioneering Deep Black-Litterman Model (DBLM), which innovatively adapts the BL model from financial roots to supply chain context. Leveraging the Spatio-Temporal Graph Neural Networks (STGNNS), DBLM automatically generates future perspective matrices for TSSA, by integrating spatio-temporal dependency. Moreover, a novel Spearman rank correlation distinctively supervises our approach to address the lack of supervisory signals, specifically designed to navigate through the complexities of supplier risks and interactions. This is further enhanced by a masking mechanism aimed at counteracting the biases from unreliable data, thereby improving the model's precision and reliability. Extensive experimentation on two datasets unequivocally demonstrates DBLM's enhanced performance in TSSA, setting new standards for the field. Our findings and methodology are made available for community access and further development., Comment: In submission to SIGKDD 2024

The rapid growth of the ride-hailing industry has revolutionized urban transportation worldwide. Despite its benefits, equity concerns arise as underserved communities face limited accessibility to affordable ride-hailing services. A key issue in this context is the vehicle rebalancing problem, where idle vehicles are moved to areas with anticipated demand. Without equitable approaches in demand forecasting and rebalancing strategies, these practices can further deepen existing inequities. In the realm of ride-hailing, three main facets of fairness are recognized: algorithmic fairness, fairness to drivers, and fairness to riders. This paper focuses on enhancing both algorithmic and rider fairness through a novel vehicle rebalancing method. We introduce an approach that combines a Socio-Aware Spatial-Temporal Graph Convolutional Network (SA-STGCN) for refined demand prediction and a fairness-integrated Matching-Integrated Vehicle Rebalancing (MIVR) model for subsequent vehicle rebalancing. Our methodology is designed to reduce prediction discrepancies and ensure equitable service provision across diverse regions. The effectiveness of our system is evaluated using simulations based on real-world ride-hailing data. The results suggest that our proposed method enhances both accuracy and fairness in forecasting ride-hailing demand, ultimately resulting in more equitable vehicle rebalancing in subsequent operations. Specifically, the algorithm developed in this study effectively reduces the standard deviation and average customer wait times by 6.48% and 0.49%, respectively. This achievement signifies a beneficial outcome for ride-hailing platforms, striking a balance between operational efficiency and fairness., Comment: 31 pages, 6 figures

Travel behavior prediction is a fundamental task in transportation demand management. The conventional methods for travel behavior prediction rely on numerical data to construct mathematical models and calibrate model parameters to represent human preferences. Recent advancement in large language models (LLMs) has shown great reasoning abilities to solve complex problems. In this study, we propose to use LLMs to predict travel behavior with prompt engineering without data-based parameter learning. Specifically, we carefully design our prompts that include 1) task description, 2) travel characteristics, 3) individual attributes, and 4) guides of thinking with domain knowledge, and ask the LLMs to predict an individual's travel behavior and explain the results. We select the travel mode choice task as a case study. Results show that, though no training samples are provided, LLM-based predictions have competitive accuracy and F1-score as canonical supervised learning methods such as multinomial logit, random forest, and neural networks. LLMs can also output reasons that support their prediction. However, though in most of the cases, the output explanations are reasonable, we still observe cases that violate logic or with hallucinations.

Traffic accidents present substantial challenges to human safety and socio-economic development in urban areas. Developing a reliable and responsible traffic accident prediction model is crucial to addressing growing public safety concerns and enhancing the safety of urban mobility systems. Traditional methods face limitations at fine spatiotemporal scales due to the sporadic nature of highrisk accidents and the predominance of non-accident characteristics. Furthermore, while most current models show promising occurrence prediction, they overlook the uncertainties arising from the inherent nature of accidents, and then fail to adequately map the hierarchical ranking of accident risk values for more precise insights. To address these issues, we introduce the Spatiotemporal Zero-Inflated Tweedie Graph Neural Network STZITDGNN -- the first uncertainty-aware probabilistic graph deep learning model in roadlevel traffic accident prediction for multisteps. This model integrates the interpretability of the statistical Tweedie family model and the expressive power of graph neural networks. Its decoder innovatively employs a compound Tweedie model,a Poisson distribution to model the frequency of accident occurrences and a Gamma distribution to assess injury severity, supplemented by a zeroinflated component to effectively identify exessive nonincident instances. Empirical tests using realworld traffic data from London, UK, demonstrate that the STZITDGNN surpasses other baseline models across multiple benchmarks and metrics, including accident risk value prediction, uncertainty minimisation, non-accident road identification and accident occurrence accuracy. Our study demonstrates that STZTIDGNN can effectively inform targeted road monitoring, thereby improving urban road safety strategies.

Understanding Origin-Destination (O-D) travel demand is crucial for transportation management. However, traditional spatial-temporal deep learning models grapple with addressing the sparse and long-tail characteristics in high-resolution O-D matrices and quantifying prediction uncertainty. This dilemma arises from the numerous zeros and over-dispersed demand patterns within these matrices, which challenge the Gaussian assumption inherent to deterministic deep learning models. To address these challenges, we propose a novel approach: the Spatial-Temporal Tweedie Graph Neural Network (STTD). The STTD introduces the Tweedie distribution as a compelling alternative to the traditional 'zero-inflated' model and leverages spatial and temporal embeddings to parameterize travel demand distributions. Our evaluations using real-world datasets highlight STTD's superiority in providing accurate predictions and precise confidence intervals, particularly in high-resolution scenarios., Comment: In proceeding of CIKM 2023. Doi: https://dl.acm.org/doi/10.1145/3583780.3615215

Traffic data serves as a fundamental component in both research and applications within intelligent transportation systems. However, real-world transportation data, collected from loop detectors or similar sources, often contains missing values (MVs), which can adversely impact associated applications and research. Instead of discarding this incomplete data, researchers have sought to recover these missing values through numerical statistics, tensor decomposition, and deep learning techniques. In this paper, we propose an innovative deep learning approach for imputing missing data. A graph attention architecture is employed to capture the spatial correlations present in traffic data, while a bidirectional neural network is utilized to learn temporal information. Experimental results indicate that our proposed method outperforms all other benchmark techniques, thus demonstrating its effectiveness., Comment: Accepted by IEEE-ITSC 2023

Short-term demand forecasting for on-demand ride-hailing services is one of the fundamental issues in intelligent transportation systems. However, previous travel demand forecasting research predominantly focused on improving prediction accuracy, ignoring fairness issues such as systematic underestimations of travel demand in disadvantaged neighborhoods. This study investigates how to measure, evaluate, and enhance prediction fairness between disadvantaged and privileged communities in spatial-temporal demand forecasting of ride-hailing services. A two-pronged approach is taken to reduce the demand prediction bias. First, we develop a novel deep learning model architecture, named socially aware neural network (SA-Net), to integrate the socio-demographics and ridership information for fair demand prediction through an innovative socially-aware convolution operation. Second, we propose a bias-mitigation regularization method to mitigate the mean percentage prediction error gap between different groups. The experimental results, validated on the real-world Chicago Transportation Network Company (TNC) data, show that the de-biasing SA-Net can achieve better predictive performance in both prediction accuracy and fairness. Specifically, the SA-Net improves prediction accuracy for both the disadvantaged and privileged groups compared with the state-of-the-art models. When coupled with the bias mitigation regularization method, the de-biasing SA-Net effectively bridges the mean percentage prediction error gap between the disadvantaged and privileged groups, and also protects the disadvantaged regions against systematic underestimation of TNC demand. Our proposed de-biasing method can be adopted in many existing short-term travel demand estimation models, and can be utilized for various other spatial-temporal prediction tasks such as crime incidents predictions.

Recent studies have significantly improved the prediction accuracy of travel demand using graph neural networks. However, these studies largely ignored uncertainty that inevitably exists in travel demand prediction. To fill this gap, this study proposes a framework of probabilistic graph neural networks (Prob-GNN) to quantify the spatiotemporal uncertainty of travel demand. This Prob-GNN framework is substantiated by deterministic and probabilistic assumptions, and empirically applied to the task of predicting the transit and ridesharing demand in Chicago. We found that the probabilistic assumptions (e.g. distribution tail, support) have a greater impact on uncertainty prediction than the deterministic ones (e.g. deep modules, depth). Among the family of Prob-GNNs, the GNNs with truncated Gaussian and Laplace distributions achieve the highest performance in transit and ridesharing data. Even under significant domain shifts, Prob-GNNs can predict the ridership uncertainty in a stable manner, when the models are trained on pre-COVID data and tested across multiple periods during and after the COVID-19 pandemic. Prob-GNNs also reveal the spatiotemporal pattern of uncertainty, which is concentrated on the afternoon peak hours and the areas with large travel volumes. Overall, our findings highlight the importance of incorporating randomness into deep learning for spatiotemporal ridership prediction. Future research should continue to investigate versatile probabilistic assumptions to capture behavioral randomness, and further develop methods to quantify uncertainty to build resilient cities.

Origin-Destination (O-D) travel demand prediction is a fundamental challenge in transportation. Recently, spatial-temporal deep learning models demonstrate the tremendous potential to enhance prediction accuracy. However, few studies tackled the uncertainty and sparsity issues in fine-grained O-D matrices. This presents a serious problem, because a vast number of zeros deviate from the Gaussian assumption underlying the deterministic deep learning models. To address this issue, we design a Spatial-Temporal Zero-Inflated Negative Binomial Graph Neural Network (STZINB-GNN) to quantify the uncertainty of the sparse travel demand. It analyzes spatial and temporal correlations using diffusion and temporal convolution networks, which are then fused to parameterize the probabilistic distributions of travel demand. The STZINB-GNN is examined using two real-world datasets with various spatial and temporal resolutions. The results demonstrate the superiority of STZINB-GNN over benchmark models, especially under high spatial-temporal resolutions, because of its high accuracy, tight confidence intervals, and interpretable parameters. The sparsity parameter of the STZINB-GNN has physical interpretation for various transportation applications., Comment: Accepted by KDD 2022

Spatiotemporal kriging is an important application in spatiotemporal data analysis, aiming to recover/interpolate signals for unsampled/unobserved locations based on observed signals. The principle challenge for spatiotemporal kriging is how to effectively model and leverage the spatiotemporal dependencies within the data. Recently, graph neural networks (GNNs) have shown great promise for spatiotemporal kriging tasks. However, standard GNNs often require a carefully designed adjacency matrix and specific aggregation functions, which are inflexible for general applications/problems. To address this issue, we present SATCN -- Spatial Aggregation and Temporal Convolution Networks -- a universal and flexible framework to perform spatiotemporal kriging for various spatiotemporal datasets without the need for model specification. Specifically, we propose a novel spatial aggregation network (SAN) inspired by Principal Neighborhood Aggregation, which uses multiple aggregation functions to help one node gather diverse information from its neighbors. To exclude information from unsampled nodes, a masking strategy that prevents the unsampled sensors from sending messages to their neighborhood is introduced to SAN. We capture temporal dependencies by the temporal convolutional networks, which allows our model to cope with data of diverse sizes. To make SATCN generalizable to unseen nodes and even unseen graph structures, we employ an inductive strategy to train SATCN. We conduct extensive experiments on three real-world spatiotemporal datasets, including traffic speed and climate recordings. Our results demonstrate the superiority of SATCN over traditional and GNN-based kriging models.

This paper studies the traffic state estimation (TSE) problem using sparse observations from mobile sensors. Most existing TSE methods either rely on well-defined physical traffic flow models or require large amounts of simulation data as input to train machine learning models. Different from previous studies, we propose a purely data-driven and model-free solution in this paper. We consider the TSE as a spatiotemporal matrix completion/interpolation problem, and apply spatiotemporal delay embedding to transform the original incomplete matrix into a fourth-order Hankel structured tensor. By imposing a low-rank assumption on this tensor structure, we can approximate and characterize both global and local spatiotemporal patterns in a data-driven manner. We use the truncated nuclear norm of a balanced spatiotemporal unfolding -- in which each column represents the vectorization of a small patch in the original matrix -- to approximate the tensor rank. An efficient solution algorithm based on the Alternating Direction Method of Multipliers (ADMM) is developed for model learning. The proposed framework only involves two hyperparameters, spatial and temporal window lengths, which are easy to set given the degree of data sparsity. We conduct numerical experiments on real-world high-resolution trajectory data, and our results demonstrate the effectiveness and superiority of the proposed model in some challenging scenarios.

Time series forecasting and spatiotemporal kriging are the two most important tasks in spatiotemporal data analysis. Recent research on graph neural networks has made substantial progress in time series forecasting, while little attention has been paid to the kriging problem -- recovering signals for unsampled locations/sensors. Most existing scalable kriging methods (e.g., matrix/tensor completion) are transductive, and thus full retraining is required when we have a new sensor to interpolate. In this paper, we develop an Inductive Graph Neural Network Kriging (IGNNK) model to recover data for unsampled sensors on a network/graph structure. To generalize the effect of distance and reachability, we generate random subgraphs as samples and reconstruct the corresponding adjacency matrix for each sample. By reconstructing all signals on each sample subgraph, IGNNK can effectively learn the spatial message passing mechanism. Empirical results on several real-world spatiotemporal datasets demonstrate the effectiveness of our model. In addition, we also find that the learned model can be successfully transferred to the same type of kriging tasks on an unseen dataset. Our results show that: 1) GNN is an efficient and effective tool for spatial kriging; 2) inductive GNNs can be trained using dynamic adjacency matrices; 3) a trained model can be transferred to new graph structures and 4) IGNNK can be used to generate virtual sensors., Comment: AAAI 2021