Generating trajectory data is among promising solutions to addressing privacy concerns, collection costs, and proprietary restrictions usually associated with human mobility analyses. However, existing trajectory generation methods are still in their infancy due to the inherent diversity and unpredictability of human activities, grappling with issues such as fidelity, flexibility, and generalizability. To overcome these obstacles, we propose ControlTraj, a Controllable Trajectory generation framework with the topology-constrained diffusion model. Distinct from prior approaches, ControlTraj utilizes a diffusion model to generate high-fidelity trajectories while integrating the structural constraints of road network topology to guide the geographical outcomes. Specifically, we develop a novel road segment autoencoder to extract fine-grained road segment embedding. The encoded features, along with trip attributes, are subsequently merged into the proposed geographic denoising UNet architecture, named GeoUNet, to synthesize geographic trajectories from white noise. Through experimentation across three real-world data settings, ControlTraj demonstrates its ability to produce human-directed, high-fidelity trajectory generation with adaptability to unexplored geographical contexts.
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Synthesizing electronic health records (EHR) data has become a preferred strategy to address data scarcity, improve data quality, and model fairness in healthcare. However, existing approaches for EHR data generation predominantly rely on state-of-the-art generative techniques like generative adversarial networks, variational autoencoders, and language models. These methods typically replicate input visits, resulting in inadequate modeling of temporal dependencies between visits and overlooking the generation of time information, a crucial element in EHR data. Moreover, their ability to learn visit representations is limited due to simple linear mapping functions, thus compromising generation quality. To address these limitations, we propose a novel EHR data generation model called EHRPD. It is a diffusion-based model designed to predict the next visit based on the current one while also incorporating time interval estimation. To enhance generation quality and diversity, we introduce a novel time-aware visit embedding module and a pioneering predictive denoising diffusion probabilistic model (P-DDPM). Additionally, we devise a predictive U-Net (PU-Net) to optimize P-DDPM. We conduct experiments on two public datasets and evaluate EHRPD from fidelity, privacy, and utility perspectives. The experimental results demonstrate the efficacy and utility of the proposed EHRPD in addressing the aforementioned limitations and advancing EHR data generation.
Maritime traffic management increasingly relies on vessel position information provided by terrestrial and satellite networks of the Automatic Identification System (AIS). Unfortunately, the problem of missing AIS data can lead to long-term gaps in vessel trajectory, raising corresponding security concerns regarding collision risks and illicit activities. Existing imputation approaches are often constrained by vehicle-based low-sampling trajectories, hindering their ability to address unique characteristics of maritime transportation systems and long-term missing scenarios. To tackle these challenges, we propose a novel generative framework for long-term vessel trajectory imputation. Our framework considers irregular tracks of vessels, which differ from those of cars due to the absence of a structured road network, and ensures the continuity of multi-point imputed trajectories. Specifically, we first utilize a pre-trained trajectory embedding block to capture patterns of vessel movements. Subsequently, we introduce a diffusion-based model for generating missing trajectories, where observed trajectory modeling with transformer encoding architecture and embeddings of both historical vessel trajectory and external factors serve as conditional information. In particular, we design a physics-guided discriminator in the training stage, which imposes kinematic constraints between locations and angles to improve the continuity of the imputed trajectories. Comprehensive experiments and analysis on a real-world AIS dataset confirm the effectiveness of our proposed approach.
Diverse Intra- and Inter-Domain Activity Style Fusion for Cross-Person Generalization in Activity Recognition
PDF ↗Existing domain generalization (DG) methods for cross-person generalization tasks often face challenges in capturing intra- and inter-domain style diversity, resulting in domain gaps with the target domain. In this study, we explore a novel perspective to tackle this problem, a process conceptualized as domain padding. This proposal aims to enrich the domain diversity by synthesizing intra- and inter-domain style data while maintaining robustness to class labels. We instantiate this concept using a conditional diffusion model and introduce a style-fused sampling strategy to enhance data generation diversity. In contrast to traditional condition-guided sampling, our style-fused sampling strategy allows for the flexible use of one or more random styles to guide data synthesis. This feature presents a notable advancement: it allows for the maximum utilization of possible permutations and combinations among existing styles to generate a broad spectrum of new style instances. Empirical evaluations on a broad range of datasets demonstrate that our generated data achieves remarkable diversity within the domain space. Both intra- and inter-domain generated data have proven to be significant and valuable, contributing to varying degrees of performance enhancements. Notably, our approach outperforms state-of-the-art DG methods in all human activity recognition tasks.
Feasible solutions are crucial for Integer Programming (IP) since they can substantially speed up the solving process. In many applications, similar IP instances often exhibit similar structures and shared solution distributions, which can be potentially modeled by deep learning methods. Unfortunately, existing deep-learning-based algorithms, such as Neural Diving [21] and Predict-and-search framework [8], are limited to generating only partial feasible solutions, and they must rely on solvers like SCIP and Gurobi to complete the solutions for a given IP problem. In this paper, we propose a novel framework that generates complete feasible solutions end-to-end. Our framework leverages contrastive learning to characterize the relationship between IP instances and solutions, and learns latent embeddings for both IP instances and their solutions. Further, the framework employs diffusion models to learn the distribution of solution embeddings conditioned on IP representations, with a dedicated guided sampling strategy that accounts for both constraints and objectives. We empirically evaluate our framework on four typical datasets of IP problems, and show that it effectively generates complete feasible solutions with a high probability (> 89.7 %) without the reliance of Solvers and the quality of solutions is comparable to the best heuristic solutions from Gurobi. Furthermore, by integrating our method's sampled partial solutions with the CompleteSol heuristic from SCIP [19], the resulting feasible solutions outperform those from state-of-the-art methods across all datasets, exhibiting a 3.7 to 33.7% improvement in the gap to optimal values, and maintaining a feasible ratio of over 99.7% for all datasets.
With the widespread adoption of electronic health records (EHR) data, deep learning techniques have been broadly utilized for various health prediction tasks. Nevertheless, the labeled data scarcity issue restricts the prediction power of these deep models. To enhance the generalization capability of deep learning models when faced with such situations, a common trend is to train generative adversarial networks (GANs) or diffusion models for data augmentation. However, due to limitations in sample size and potential label imbalance issues, these methods are prone to mode collapse problems. This results in the generation of new samples that fail to preserve the subtype structure within EHR data, thereby limiting their practicality in health prediction tasks that generally require detailed patient phenotyping. Aiming at the above problems, we propose a Prototype-based Mixup method, dubbed ProtoMix, which combines prior knowledge of intrinsic data features from subtype centroids (i.e., prototypes) to guide the synthesis of new samples. Specifically, ProtoMix employs a prototype-guided mixup training task to shift the decision boundary away from the subtypes. Then, ProtoMix optimizes the sampling weights in different areas of the data manifold via a prototype-guided mixup sampling strategy. Throughout the training process, ProtoMix dynamically expands the training distribution using an adaptive mixing coefficient computation method. Experimental evaluations on three real-world datasets demonstrate the efficacy of ProtoMix.
In this paper, we study cascading failures in power grids through the lens of information diffusion models. Similar to the spread of rumors or influence in an online social network, it has been observed that failures (outages) in a power grid can spread contagiously, driven by viral spread mechanisms. We employ a stochastic diffusion model that is Markovian (memoryless) and local (the activation of one node, i.e., transmission line, can only be caused by its neighbors). Our model integrates viral diffusion principles with physics-based concepts, by correlating the diffusion weights (contagion probabilities between transmission lines) with the hyperparametric Information Cascades (IC) model. We show that this diffusion model can be learned from traces of cascading failures, enabling accurate modeling and prediction of failure propagation. This approach facilitates actionable information through well-understood and efficient graph analysis methods and graph diffusion simulations. Furthermore, by leveraging the hyperparametric model, we can predict diffusion and mitigate the risks of cascading failures even in unseen grid configurations, whereas existing methods falter due to a lack of training data. Extensive experiments based on a benchmark power grid and simulations therein show that our approach effectively captures the failure diffusion phenomena and guides decisions to strengthen the grid, reducing the risk of large-scale cascading failures. Additionally, we characterize our model's sample complexity, improving upon the existing bound.
Estimating the counterfactual outcome of treatment is essential for decision-making in public health and clinical science, among others. Often, treatments are administered in a sequential, time-varying manner, leading to an exponentially increased number of possible counterfactual outcomes. Furthermore, in modern applications, the outcomes are high-dimensional and conventional average treatment effect estimation fails to capture disparities in individuals. To tackle these challenges, we propose a novel conditional generative framework capable of producing counterfactual samples under time-varying treatment, without the need for explicit density estimation. Our method carefully addresses the distribution mismatch between the observed and counterfactual distributions via a loss function based on inverse probability re-weighting, and supports integration with state-of-the-art conditional generative models such as the guided diffusion and conditional variational autoencoder. We present a thorough evaluation of our method using both synthetic and real-world data. Our results demonstrate that our method is capable of generating high-quality counterfactual samples and outperforms the state-of-the-art baselines.
Crime risk map plays a crucial role in urban planning and public security management. Traditionally, it is obtained solely from historical crime incidents or inferred from limited environmental factors, which are not sufficient to accurately model the occurrences of crimes over the geographical space well. Motivated by the impressive and realistic conditional generating power of diffusion models, in this paper, we propose a multimodal conditional diffusion method, namely, DiffCrime, to infer the crime risk map based on datasets in various domains, i.e., historical crime incidents, satellite imagery, and map imagery. It is equipped with a history-gated multimodal denoising network, i.e., HamNet, dedicated to the crime risk map inference. HamNet emphasizes the importance of historical crime data via a Gated-based History Fusion (GHF) module and adaptively controls multimodal conditions to be fused across different diffusion time steps via a Time step-Aware Modality Fusion (TAMF) module. Extensive experiments on two real-world datasets demonstrate the effectiveness of DiffCrime, which outperforms baselines by at least 43% and 31% in terms of RMSE, respectively.
In existing graph data, the connection relationships often exhibit uniform weights, leading to the model aggregating neighboring nodes with equal weights across various connection types. However, this uniform aggregation of diverse information diminishes the discriminability of node representations, contributing significantly to the over-smoothing issue in models. In this paper, we propose the Flexible Graph Neural Diffusion (FGND) model, incorporating latent class representation to address the misalignment between graph topology and node features. In particular, we combine latent class representation learning with the inherent graph topology to reconstruct the diffusion matrix during the graph diffusion process. We introduce the sim metric to quantify the degree of mismatch between graph topology and node features. By flexibly adjusting the dependency level on node features through the hyperparameter, we accommodate diverse adjacency relationships. The effective filtering of noise in the topology also allows the model to capture higher order information, significantly alleviating the over-smoothing problem. Meanwhile, we model the graphical diffusion process as a set of differential equations and employ advanced partial differential equation tools to obtain more accurate solutions. Empirical evaluations on five benchmarks reveal that our FGND model outperforms existing popular GNN methods in terms of both overall performance and stability under data perturbations. Meanwhile, our model exhibits superior performance in comparison to models tailored for heterogeneous graphs and those designed to address oversmoothing issues.
Continuous-Time Dynamic Graph (CTDG) precisely models evolving real-world relationships, drawing heightened interest in dynamic graph learning across academia and industry. However, existing CTDG models encounter challenges stemming from noise and limited historical data. Graph Data Augmentation (GDA) emerges as a critical solution, yet current approaches primarily focus on static graphs and struggle to effectively address the dynamics inherent in CTDGs. Moreover, these methods often demand substantial domain expertise for parameter tuning and lack theoretical guarantees for augmentation efficacy. To address these issues, we propose Conda, a novel latent diffusion-based GDA method tailored for CTDGs. Conda features a sandwich-like architecture, incorporating a Variational Auto-Encoder (VAE) and a conditional diffusion model, aimed at generating enhanced historical neighbor embeddings for target nodes. Unlike conventional diffusion models trained on entire graphs via pre-training, Conda requires historical neighbor sequence embeddings of target nodes for training, thus facilitating more targeted augmentation. We integrate Conda into the CTDG model and adopt an alternating training strategy to optimize performance. Extensive experimentation across six widely used real-world datasets showcases the consistent performance improvement of our approach, particularly in scenarios with limited historical data.
Social Recommendation (SR) typically exploits neighborhood influence in the social network to enhance user preference modeling. However, users' intricate social behaviors may introduce noisy social connections for user modeling and harm the models' robustness. Existing solutions to alleviate social noise either filter out the noisy connections or generate new potential social connections. Due to the absence of labels, the former approaches may retain uncertain connections for user preference modeling while the latter methods may introduce additional social noise. Through data analysis, we discover that (1) social noise likely comes from the connected users with low preference similarity; and (2) Opinion Leaders (OLs) play a pivotal role in influence dissemination, surpassing high-similarity neighbors, regardless of their preference similarity with trusting peers. Guided by these observations, we propose a novel Self-Supervised Denoising approach through Independent Cascade Graph Augmentation, for more robust SR. Specifically, we employ the independent cascade diffusion model to generate an augmented graph view, which traverses the social graph and activates the edges in sequence to simulate the cascading influence spread. To steer the augmentation towards a denoised social graph, we (1) introduce a hierarchical contrastive loss to prioritize the activation of OLs first, followed by high-similarity neighbors, while weakening the low-similarity neighbors; and (2) integrate an information bottleneck based contrastive loss, aiming to minimize mutual information between original and augmented graphs yet preserve sufficient information for improved SR. Experiments conducted on two public datasets demonstrate that our model outperforms the state-of-the-art while also exhibiting higher robustness to different extents of social noise.
Despite the recent progress of molecular representation learning, its effectiveness is assumed on the close-world assumptions that training and testing graphs are from identical distribution. The open-world test dataset is often mixed with out-of-distribution (OOD) samples, where the deployed models will struggle to make accurate predictions. The misleading estimations of molecules' properties in drug screening or design can result in the tremendous waste of wet-lab resources and delay the discovery of novel therapies. Traditional detection methods need to trade off OOD detection and in-distribution (ID) classification performance since they share the same representation learning model. In this work, we propose to detect OOD molecules by adopting an auxiliary diffusion model-based framework, which compares similarities between input molecules and reconstructed graphs. Due to the generative bias towards reconstructing ID training samples, the similarity scores of OOD molecules will be much lower to facilitate detection. Although it is conceptually simple, extending this vanilla framework to practical detection applications is still limited by two significant challenges. First, the popular similarity metrics based on Euclidian distance fail to consider the complex graph structure. Second, the generative model involving iterative denoising steps is notoriously time-consuming especially when it runs on the enormous pool of drugs. To address these challenges, our research pioneers an approach of Prototypical Graph Reconstruction for Molecular OOd Detection, dubbed as PGR-MOOD. Specifically, PGR-MOOD hinges on three innovations: i) An effective metric to comprehensively quantify the matching degree of input and reconstructed molecules according to their discrete edges and continuous node features; ii) A creative graph generator to construct a list of prototypical graphs that are in line with ID distribution but away from OOD one; iii) An efficient and scalable OOD detector to compare the similarity between test samples and pre-constructed prototypical graphs and omit the generative process on every new molecule. Extensive experiments on ten benchmark datasets and six baselines are conducted to demonstrate our superiority: PGR-MOOD achieves more than 8% of average improvement in terms of detection AUC and AUPR accompanied by the reduced cost of testing time and memory consumption. The anonymous code is in: https://github.com/se7esx/PGR-MOOD.
Self-Supervised Learning of Time Series Representation via Diffusion Process and Imputation-Interpolation-Forecasting Mask
PDF ↗Time Series Representation Learning (TSRL) focuses on generating informative representations for various Time Series (TS) modeling tasks. Traditional Self-Supervised Learning (SSL) methods in TSRL fall into four main categories: reconstructive, adversarial, contrastive, and predictive, each with a common challenge of sensitivity to noise and intricate data nuances. Recently, diffusion-based methods have shown advanced generative capabilities. However, they primarily target specific application scenarios like imputation and forecasting, leaving a gap in leveraging diffusion models for generic TSRL. Our work, Time Series Diffusion Embedding (TSDE), bridges this gap as the first diffusion-based SSL TSRL approach. TSDE segments TS data into observed and masked parts using an Imputation-Interpolation-Forecasting (IIF) mask. It applies a trainable embedding function, featuring dual-orthogonal Transformer encoders with a crossover mechanism, to the observed part. We train a reverse diffusion process conditioned on the embeddings, designed to predict noise added to the masked part. Extensive experiments demonstrate TSDE's superiority in imputation, interpolation, forecasting, anomaly detection, classification, and clustering. We also conduct an ablation study, present embedding visualizations, and compare inference speed, further substantiating TSDE's efficiency and validity in learning representations of TS data.
Anomalous node detection in a static graph faces significant challenges due to the rarity of anomalies and the substantial cost of labeling their deviant structure and attribute patterns. These challenges give rise to data-centric problems, including extremely imbalanced data distributions and intricate graph learning, which significantly impede machine learning and deep learning methods from discerning the patterns of graph anomalies with few labels. While these issues remain crucial, much of the current research focuses on addressing the induced technical challenges, treating the shortage of labeled data as a given. Distinct from previous efforts, this work focuses on tackling the data-centric problems by generating auxiliary training nodes that conform to the original graph topology and attribute distribution. We categorize this approach as data-centric, aiming to enhance existing anomaly detectors by training them on our synthetic data. However, the methods for generating nodes and the effectiveness of utilizing synthetic data for graph anomaly detection remain unexplored in the realm. To answer these questions, we thoroughly investigate the denoising diffusion model. Drawing from our observations on the diffusion process, we illuminate the shifts in graph energy distribution and establish two principles for designing denoising neural networks tailored to graph anomaly generation. From the insights, we propose a diffusion-based graph generation method to synthesize training nodes, which can be promptly integrated to work with existing anomaly detectors. The empirical results on eight widely-used datasets demonstrate our generated data can effectively enhance the nine state-of-the-art graph detectors' performance.
The rapid expansion of Location-Based Social Networks (LBSNs) has highlighted the importance of effective next Point-of-Interest (POI) recommendations, which leverage historical check-in data to predict users' next POIs to visit. Traditional centralized deep neural networks (DNNs) offer impressive POI recommendation performance but face challenges due to privacy concerns and limited timeliness. In response, on-device POI recommendations have been introduced, utilizing federated learning (FL) and decentralized approaches to ensure privacy and recommendation timeliness. However, these methods often suffer from computational strain on devices and struggle to adapt to new users and regions. This paper introduces a novel collaborative learning framework, Diffusion-Based Cloud-Edge-Device Collaborative Learning for Next POI Recommendations (DCPR), leveraging the diffusion model known for its success across various domains. DCPR operates with a cloud-edge-device architecture to offer region-specific and highly personalized POI recommendations while reducing on-device computational burdens. DCPR minimizes on-device computational demands through a unique blend of global and local learning processes. Our evaluation with two real-world datasets demonstrates DCPR's superior performance in recommendation accuracy, efficiency, and adaptability to new users and regions, marking a significant step forward in on-device POI recommendation technology.
Higher-order graph clustering aims to partition the graph using frequently occurring subgraphs (i.e., motifs), instead of the lower-order edges, as the atomic clustering unit, which has been recognized as the state-of-the-art solution in ground truth community detection and knowledge discovery. Motif conductance is one of the most promising higher-order graph clustering models due to its strong interpretability. However, existing motif conductance based graph clustering algorithms are mainly limited by a seminal two-stage reweighting computing framework, needing to enumerate all motif instances to obtain an edge-weighted graph for partitioning. However, such a framework has two-fold vital defects: (1) It can only provide a quadratic bound for the motif with three vertices, and whether there is provable clustering quality for other motifs is still an open question. (2) The enumeration procedure of motif instances incurs prohibitively high costs against large motifs or large dense graphs due to combinatorial explosions. Besides, expensive spectral clustering or local graph diffusion on the edge-weighted graph also makes existing methods unable to handle massive graphs with millions of nodes. To overcome these dilemmas, we propose a Provable and Scalable Motif Conductance algorithm PSMC, which has a fixed and motif-independent approximation ratio for any motif. Specifically, PSMC first defines a new vertex metric Motif Resident based on the given motif, which can be computed locally. Then, it iteratively deletes the vertex with the smallest motif resident value very efficiently using novel dynamic update technologies. Finally, it outputs the locally optimal result during the above iterative process. To further boost efficiency, we propose several effective bounds to estimate the motif resident value of each vertex, which can greatly reduce computational costs. Empirical results on real-life and synthetic demonstrate that our proposed algorithms achieve 3.2-32 times speedup and improve the quality by at least 12 times than the state-of-the art baselines.
In this paper, we address the challenges of data augmentation in Multi-Modal Knowledge Graphs (MMKGs), a relatively under-explored area. We propose a novel diffusion-based generative model, the Simple Denoising Probabilistic Latent Diffusion Model (SimDiff). SimDiff is capable of handling different data modalities including the graph topology in a unified manner by the same diffusion model in the latent space. It enhances the utilization of multi-modal data and encourage the multi-modal fusion and reduces the dependency on limited training data. We validate our method in downstream Entity Alignment (EA) tasks in MMKGs, demonstrating that even when using only half of the seed entities in training, our methods can still achieve superior performance. This work contributes to the field by providing a new data generation or augmentation method for MMKGs, potentially paving the way for more effective use of MMKGs in various applications. Code is made available at https://github.com/ranlislz/SimDiff.
Zero-Shot Story Visualization (ZSV) seeks to depict textual narratives through a sequence of images without relying on pre-existing text-image pairs for training. In this paper, we address the challenge of automated multi-character ZSV, aiming to create distinctive yet compatible character portraits for high-quality story visualization without the need of manual human interventions. Our study is motivated by the limitation of current ZSV approaches that necessitate inefficient manual collection of external images as initial character portraits and suffer from low-quality story visualization, especially with multi-character interactions, when the portraits are not well initiated. To overcome these issues, we develop LeMon, an LLM enhanced Multi-Character Zero-Shot Visualization framework that automates character portrait initialization and supports iterative portrait refinement by exploring the semantic content of the story. In particular, we design an LLM-based portrait generation strategy that matches the story characters with external movie characters, and leverage the matched resources as in-context learning (ICL) samples for LLMs to accurately initialize the character portraits. We then propose a graph-based Text2Image diffusion model that constructs a character interaction graph from the story to iteratively refine the character portraits by maximizing the distinctness of different characters while minimizing their incompatibility in the multi-character story visualization. Our evaluation results show that LeMon outperforms existing ZSV approaches in generating high-quality visualizations for stories across various types with multiple interacted characters. Our code is available at https://github.com/arxrean/LLM-LeMon.
Disease surveillance, traffic management, and weather forecasting are some of the key applications that could benefit from block maxima forecasting of a time series as the extreme block maxima values often signify events of critical importance such as disease outbreaks, traffic gridlock, and severe weather conditions. As the use of deep neural network models for block maxima forecasting increases, so does the need for explainable AI methods that could unravel the inner workings of such black box models. To fill this need, this paper presents a novel counterfactual explanation framework for block maxima forecasting models. Unlike existing methods, our proposed framework, DiffusionCF, combines deep anomaly detection with a conditional diffusion model to identify unusual patterns in the time series that could help explain the forecasted extreme block maxima. Experimental results on several real-world datasets demonstrate the superiority of DiffusionCF over other baseline methods when evaluated according to various metrics, particularly their informativeness and closeness. Our data and codes are available at https://github.com/yue2023cs/DiffusionCF.