Huiyuan Chen

Yu Wang, Yuying Zhao, Yushun Dong et al.

Graph Neural Networks (GNNs) have shown great power in learning node representations on graphs. However, they may inherit historical prejudices from training data, leading to discriminatory bias in predictions. Although some work has developed fair GNNs, most of them directly borrow fair representation learning techniques from non-graph domains without considering the potential problem of sensitive attribute leakage caused by feature propagation in GNNs. However, we empirically observe that feature propagation could vary the correlation of previously innocuous non-sensitive features to the sensitive ones. This can be viewed as a leakage of sensitive information which could further exacerbate discrimination in predictions. Thus, we design two feature masking strategies according to feature correlations to highlight the importance of considering feature propagation and correlation variation in alleviating discrimination. Motivated by our analysis, we propose Fair View Graph Neural Network (FairVGNN) to generate fair views of features by automatically identifying and masking sensitive-correlated features considering correlation variation after feature propagation. Given the learned fair views, we adaptively clamp weights of the encoder to avoid using sensitive-related features. Experiments on real-world datasets demonstrate that FairVGNN enjoys a better trade-off between model utility and fairness. Our code is publicly available at https://github.com/YuWVandy/FairVGNN.

Song Wang, Xingbo Fu, Kaize Ding et al.

Federated Learning (FL) enables multiple clients to collaboratively learn a machine learning model without exchanging their own local data. In this way, the server can exploit the computational power of all clients and train the model on a larger set of data samples among all clients. Although such a mechanism is proven to be effective in various fields, existing works generally assume that each client preserves sufficient data for training. In practice, however, certain clients may only contain a limited number of samples (i.e., few-shot samples). For example, the available photo data taken by a specific user with a new mobile device is relatively rare. In this scenario, existing FL efforts typically encounter a significant performance drop on these clients. Therefore, it is urgent to develop a few-shot model that can generalize to clients with limited data under the FL scenario. In this paper, we refer to this novel problem as federated few-shot learning. Nevertheless, the problem remains challenging due to two major reasons: the global data variance among clients (i.e., the difference in data distributions among clients) and the local data insufficiency in each client (i.e., the lack of adequate local data for training). To overcome these two challenges, we propose a novel federated few-shot learning framework with two separately updated models and dedicated training strategies to reduce the adverse impact of global data variance and local data insufficiency. Extensive experiments on four prevalent datasets that cover news articles and images validate the effectiveness of our framework compared with the state-of-the-art baselines. Our code is provided at https://github.com/SongW-SW/F2L.

Chin-Chia Michael Yeh, Xin Dai, Huiyuan Chen et al.

A foundation model is a machine learning model trained on a large and diverse set of data, typically using self-supervised learning-based pre-training techniques, that can be adapted to various downstream tasks. However, current research on time series pre-training has mostly focused on models pre-trained solely on data from a single domain, resulting in a lack of knowledge about other types of time series. However, current research on time series pre-training has predominantly focused on models trained exclusively on data from a single domain. As a result, these models possess domain-specific knowledge that may not be easily transferable to time series from other domains. In this paper, we aim to develop an effective time series foundation model by leveraging unlabeled samples from multiple domains. To achieve this, we repurposed the publicly available UCR Archive and evaluated four existing self-supervised learning-based pre-training methods, along with a novel method, on the datasets. We tested these methods using four popular neural network architectures for time series to understand how the pre-training methods interact with different network designs. Our experimental results show that pre-training improves downstream classification tasks by enhancing the convergence of the fine-tuning process. Furthermore, we found that the proposed pre-training method, when combined with the Transformer model, outperforms the alternatives.

Chin-Chia Michael Yeh, Mengting Gu, Yan Zheng et al.

Graph neural networks (GNNs) are deep learning models designed specifically for graph data, and they typically rely on node features as the input to the first layer. When applying such a type of network on the graph without node features, one can extract simple graph-based node features (e.g., number of degrees) or learn the input node representations (i.e., embeddings) when training the network. While the latter approach, which trains node embeddings, more likely leads to better performance, the number of parameters associated with the embeddings grows linearly with the number of nodes. It is therefore impractical to train the input node embeddings together with GNNs within graphics processing unit (GPU) memory in an end-to-end fashion when dealing with industrial-scale graph data. Inspired by the embedding compression methods developed for natural language processing (NLP) tasks, we develop a node embedding compression method where each node is compactly represented with a bit vector instead of a floating-point vector. The parameters utilized in the compression method can be trained together with GNNs. We show that the proposed node embedding compression method achieves superior performance compared to the alternatives.

Prince O Aboagye, Yan Zheng, Michael Yeh et al.

Optimal Transport (OT) provides a useful geometric framework to estimate the permutation matrix under unsupervised cross-lingual word embedding (CLWE) models that pose the alignment task as a Wasserstein-Procrustes problem. However, linear programming algorithms and approximate OT solvers via Sinkhorn for computing the permutation matrix come with a significant computational burden since they scale cubically and quadratically, respectively, in the input size. This makes it slow and infeasible to compute OT distances exactly for a larger input size, resulting in a poor approximation quality of the permutation matrix and subsequently a less robust learned transfer function or mapper. This paper proposes an unsupervised projection-based CLWE model called quantized Wasserstein Procrustes (qWP). qWP relies on a quantization step of both the source and target monolingual embedding space to estimate the permutation matrix given a cheap sampling procedure. This approach substantially improves the approximation quality of empirical OT solvers given fixed computational cost. We demonstrate that qWP achieves state-of-the-art results on the Bilingual lexicon Induction (BLI) task.

Chin-Chia Michael Yeh, Huiyuan Chen, Xin Dai et al.

A Content-based Time Series Retrieval (CTSR) system is an information retrieval system for users to interact with time series emerged from multiple domains, such as finance, healthcare, and manufacturing. For example, users seeking to learn more about the source of a time series can submit the time series as a query to the CTSR system and retrieve a list of relevant time series with associated metadata. By analyzing the retrieved metadata, users can gather more information about the source of the time series. Because the CTSR system is required to work with time series data from diverse domains, it needs a high-capacity model to effectively measure the similarity between different time series. On top of that, the model within the CTSR system has to compute the similarity scores in an efficient manner as the users interact with the system in real-time. In this paper, we propose an effective and efficient CTSR model that outperforms alternative models, while still providing reasonable inference runtimes. To demonstrate the capability of the proposed method in solving business problems, we compare it against alternative models using our in-house transaction data. Our findings reveal that the proposed model is the most suitable solution compared to others for our transaction data problem.

Kwei-Herng Lai, Lan Wang, Huiyuan Chen et al.

Time series anomaly detection is a challenging task with a wide range of real-world applications. Due to label sparsity, training a deep anomaly detector often relies on unsupervised approaches. Recent efforts have been devoted to time series domain adaptation to leverage knowledge from similar domains. However, existing solutions may suffer from negative knowledge transfer on anomalies due to their diversity and sparsity. Motivated by the empirical study of context alignment between two domains, we aim to transfer knowledge between two domains via adaptively sampling context information for two domains. This is challenging because it requires simultaneously modeling the complex in-domain temporal dependencies and cross-domain correlations while exploiting label information from the source domain. To this end, we propose a framework that combines context sampling and anomaly detection into a joint learning procedure. We formulate context sampling into the Markov decision process and exploit deep reinforcement learning to optimize the time series domain adaptation process via context sampling and design a tailored reward function to generate domain-invariant features that better align two domains for anomaly detection. Experiments on three public datasets show promise for knowledge transfer between two similar domains and two entirely different domains.

Chin-Chia Michael Yeh, Yan Zheng, Menghai Pan et al.

Time series discords are a useful primitive for time series anomaly detection, and the matrix profile is capable of capturing discord effectively. There exist many research efforts to improve the scalability of discord discovery with respect to the length of time series. However, there is surprisingly little work focused on reducing the time complexity of matrix profile computation associated with dimensionality of a multidimensional time series. In this work, we propose a sketch for discord mining among multi-dimensional time series. After an initial pre-processing of the sketch as fast as reading the data, the discord mining has runtime independent of the dimensionality of the original data. On several real world examples from water treatment and transportation, the proposed algorithm improves the throughput by at least an order of magnitude (50X) and only has minimal impact on the quality of the approximated solution. Additionally, the proposed method can handle the dynamic addition or deletion of dimensions inconsequential overhead. This allows a data analyst to consider "what-if" scenarios in real time while exploring the data.

Huiyuan Chen, Xiaoting Li, Vivian Lai et al.

Collaborative Filtering (CF) has been successfully used to help users discover the items of interest. Nevertheless, existing CF methods suffer from noisy data issue, which negatively impacts the quality of recommendation. To tackle this problem, many prior studies leverage adversarial learning to regularize the representations of users/items, which improves both generalizability and robustness. Those methods often learn adversarial perturbations and model parameters under min-max optimization framework. However, there still have two major drawbacks: 1) Existing methods lack theoretical guarantees of why adding perturbations improve the model generalizability and robustness; 2) Solving min-max optimization is time-consuming. In addition to updating the model parameters, each iteration requires additional computations to update the perturbations, making them not scalable for industry-scale datasets. In this paper, we present Sharpness-aware Collaborative Filtering (SharpCF), a simple yet effective method that conducts adversarial training without extra computational cost over the base optimizer. To achieve this goal, we first revisit the existing adversarial collaborative filtering and discuss its connection with recent Sharpness-aware Minimization. This analysis shows that adversarial training actually seeks model parameters that lie in neighborhoods around the optimal model parameters having uniformly low loss values, resulting in better generalizability. To reduce the computational overhead, SharpCF introduces a novel trajectory loss to measure the alignment between current weights and past weights. Experimental results on real-world datasets demonstrate that our SharpCF achieves superior performance with almost zero additional computational cost comparing to adversarial training.

Chin-Chia Michael Yeh, Audrey Der, Uday Singh Saini et al.

The Matrix Profile (MP), a versatile tool for time series data mining, has been shown effective in time series anomaly detection (TSAD). This paper delves into the problem of anomaly detection in multidimensional time series, a common occurrence in real-world applications. For instance, in a manufacturing factory, multiple sensors installed across the site collect time-varying data for analysis. The Matrix Profile, named for its role in profiling the matrix storing pairwise distance between subsequences of univariate time series, becomes complex in multidimensional scenarios. If the input univariate time series has n subsequences, the pairwise distance matrix is a n x n matrix. In a multidimensional time series with d dimensions, the pairwise distance information must be stored in a n x n x d tensor. In this paper, we first analyze different strategies for condensing this tensor into a profile vector. We then investigate the potential of extending the MP to efficiently find k-nearest neighbors for anomaly detection. Finally, we benchmark the multidimensional MP against 19 baseline methods on 119 multidimensional TSAD datasets. The experiments covers three learning setups: unsupervised, supervised, and semi-supervised. MP is the only method that consistently delivers high performance across all setups.

Huiyuan Chen, Chin-Chia Michael Yeh, Yujie Fan et al.

Graph Neural Networks (GNNs) have achieved impressive performance in collaborative filtering. However, GNNs tend to yield inferior performance when the distributions of training and test data are not aligned well. Also, training GNNs requires optimizing non-convex neural networks with an abundance of local and global minima, which may differ widely in their performance at test time. Thus, it is essential to choose the minima carefully. Here we propose an effective training schema, called {gSAM}, under the principle that the \textit{flatter} minima has a better generalization ability than the \textit{sharper} ones. To achieve this goal, gSAM regularizes the flatness of the weight loss landscape by forming a bi-level optimization: the outer problem conducts the standard model training while the inner problem helps the model jump out of the sharp minima. Experimental results show the superiority of our gSAM.

Chin-Chia Michael Yeh, Huiyuan Chen, Yujie Fan et al.

Time series classification is a widely studied problem in the field of time series data mining. Previous research has predominantly focused on scenarios where relevant or foreground subsequences have already been extracted, with each subsequence corresponding to a single label. However, real-world time series data often contain foreground subsequences that are intertwined with background subsequences. Successfully classifying these relevant subsequences requires not only distinguishing between different classes but also accurately identifying the foreground subsequences amidst the background. To address this challenge, we propose a novel subsequence classification method that represents each subsequence as an ego-network, providing crucial nearest neighbor information to the model. The ego-networks of all subsequences collectively form a time series subsequence graph, and we introduce an algorithm to efficiently construct this graph. Furthermore, we have demonstrated the significance of enforcing temporal consistency in the prediction of adjacent subsequences for the subsequence classification problem. To evaluate the effectiveness of our approach, we conducted experiments using 128 univariate and 30 multivariate time series datasets. The experimental results demonstrate the superior performance of our method compared to alternative approaches. Specifically, our method outperforms the baseline on 104 out of 158 datasets.

Audrey Der, Chin-Chia Michael Yeh, Yan Zheng et al.

Publishing and sharing data is crucial for the data mining community, allowing collaboration and driving open innovation. However, many researchers cannot release their data due to privacy regulations or fear of leaking confidential business information. To alleviate such issues, we propose the Time Series Synthesis Using the Matrix Profile (TSSUMP) method, where synthesized time series can be released in lieu of the original data. The TSSUMP method synthesizes time series by preserving similarity join information (i.e., Matrix Profile) while reducing the correlation between the synthesized and the original time series. As a result, neither the values for the individual time steps nor the local patterns (or shapes) from the original data can be recovered, yet the resulting data can be used for downstream tasks that data analysts are interested in. We concentrate on similarity joins because they are one of the most widely applied time series data mining routines across different data mining tasks. We test our method on a case study of ECG and gender masking prediction. In this case study, the gender information is not only removed from the synthesized time series, but the synthesized time series also preserves enough information from the original time series. As a result, unmodified data mining tools can obtain near-identical performance on the synthesized time series as on the original time series.

Chin-Chia Michael Yeh, Xin Dai, Yan Zheng et al.

Multitask learning (MTL) aims to develop a unified model that can handle a set of closely related tasks simultaneously. By optimizing the model across multiple tasks, MTL generally surpasses its non-MTL counterparts in terms of generalizability. Although MTL has been extensively researched in various domains such as computer vision, natural language processing, and recommendation systems, its application to time series data has received limited attention. In this paper, we investigate the application of MTL to the time series classification (TSC) problem. However, when we integrate the state-of-the-art 1D convolution-based TSC model with MTL, the performance of the TSC model actually deteriorates. By comparing the 1D convolution-based models with the Dynamic Time Warping (DTW) distance function, it appears that the underwhelming results stem from the limited expressive power of the 1D convolutional layers. To overcome this challenge, we propose a novel design for a 2D convolution-based model that enhances the model's expressiveness. Leveraging this advantage, our proposed method outperforms competing approaches on both the UCR Archive and an industrial transaction TSC dataset.

Yan Zheng, Junpeng Wang, Chin-Chia Michael Yeh et al.

Embedding learning transforms discrete data entities into continuous numerical representations, encoding features/properties of the entities. Despite the outstanding performance reported from different embedding learning algorithms, few efforts were devoted to structurally interpreting how features are encoded in the learned embedding space. This work proposes EmbeddingTree, a hierarchical embedding exploration algorithm that relates the semantics of entity features with the less-interpretable embedding vectors. An interactive visualization tool is also developed based on EmbeddingTree to explore high-dimensional embeddings. The tool helps users discover nuance features of data entities, perform feature denoising/injecting in embedding training, and generate embeddings for unseen entities. We demonstrate the efficacy of EmbeddingTree and our visualization tool through embeddings generated for industry-scale merchant data and the public 30Music listening/playlists dataset.

Hongye Jin, Xiaotian Han, Jingfeng Yang et al.

It is well known that LLMs cannot generalize well to long contexts whose lengths are larger than the training sequence length. This poses challenges when employing LLMs for processing long input sequences during inference. In this work, we argue that LLMs themselves have inherent capabilities to handle long contexts without fine-tuning. To achieve this goal, we propose SelfExtend to extend the context window of LLMs by constructing bi-level attention information: the grouped attention and the neighbor attention. The grouped attention captures the dependencies among tokens that are far apart, while neighbor attention captures dependencies among adjacent tokens within a specified range. The two-level attentions are computed based on the original model's self-attention mechanism during inference. With minor code modification, our SelfExtend can effortlessly extend existing LLMs' context window without any fine-tuning. We conduct comprehensive experiments on multiple benchmarks and the results show that our SelfExtend can effectively extend existing LLMs' context window length. The code can be found at \url{https://github.com/datamllab/LongLM}.

Chin-Chia Michael Yeh, Huiyuan Chen, Xin Dai et al.

Time series data is ubiquitous across various domains such as finance, healthcare, and manufacturing, but their properties can vary significantly depending on the domain they originate from. The ability to perform Content-based Time Series Retrieval (CTSR) is crucial for identifying unknown time series examples. However, existing CTSR works typically focus on retrieving time series from a single domain database, which can be inadequate if the user does not know the source of the query time series. This limitation motivates us to investigate the CTSR problem in a scenario where the database contains time series from multiple domains. To facilitate this investigation, we introduce a CTSR benchmark dataset that comprises time series data from a variety of domains, such as motion, power demand, and traffic. This dataset is sourced from a publicly available time series classification dataset archive, making it easily accessible to researchers in the field. We compare several popular methods for modeling and retrieving time series data using this benchmark dataset. Additionally, we propose a novel distance learning model that outperforms the existing methods. Overall, our study highlights the importance of addressing the CTSR problem across multiple domains and provides a useful benchmark dataset for future research.

Audrey Der, Chin-Chia Michael Yeh, Xin Dai et al.

Self-supervised Pretrained Models (PTMs) have demonstrated remarkable performance in computer vision and natural language processing tasks. These successes have prompted researchers to design PTMs for time series data. In our experiments, most self-supervised time series PTMs were surpassed by simple supervised models. We hypothesize this undesired phenomenon may be caused by data scarcity. In response, we test six time series generation methods, use the generated data in pretraining in lieu of the real data, and examine the effects on classification performance. Our results indicate that replacing a real-data pretraining set with a greater volume of only generated samples produces noticeable improvement.

Kwei-Herng Lai, Daochen Zha, Huiyuan Chen et al.

Imbalanced datasets are commonly observed in various real-world applications, presenting significant challenges in training classifiers. When working with large datasets, the imbalanced issue can be further exacerbated, making it exceptionally difficult to train classifiers effectively. To address the problem, over-sampling techniques have been developed to linearly interpolating data instances between minorities and their neighbors. However, in many real-world scenarios such as anomaly detection, minority instances are often dispersed diversely in the feature space rather than clustered together. Inspired by domain-agnostic data mix-up, we propose generating synthetic samples iteratively by mixing data samples from both minority and majority classes. It is non-trivial to develop such a framework, the challenges include source sample selection, mix-up strategy selection, and the coordination between the underlying model and mix-up strategies. To tackle these challenges, we formulate the problem of iterative data mix-up as a Markov decision process (MDP) that maps data attributes onto an augmentation strategy. To solve the MDP, we employ an actor-critic framework to adapt the discrete-continuous decision space. This framework is utilized to train a data augmentation policy and design a reward signal that explores classifier uncertainty and encourages performance improvement, irrespective of the classifier's convergence. We demonstrate the effectiveness of our proposed framework through extensive experiments conducted on seven publicly available benchmark datasets using three different types of classifiers. The results of these experiments showcase the potential and promise of our framework in addressing imbalanced datasets with diverse minorities.

Yingtong Dou, Zhimeng Jiang, Tianyi Zhang et al.

We present TransactionGPT (TGPT), a foundation model for consumer transaction data within one of world's largest payment networks. TGPT is designed to understand and generate transaction trajectories while simultaneously supporting a variety of downstream prediction and classification tasks. We introduce a novel 3D-Transformer architecture specifically tailored for capturing the complex dynamics in payment transaction data. This architecture incorporates design innovations that enhance modality fusion and computational efficiency, while seamlessly enabling joint optimization with downstream objectives. Trained on billion-scale real-world transactions, TGPT significantly improves downstream classification performance against a competitive production model and exhibits advantages over baselines in generating future transactions. We conduct extensive empirical evaluations utilizing a diverse collection of company transaction datasets spanning multiple downstream tasks, thereby enabling a thorough assessment of TGPT's effectiveness and efficiency in comparison to established methodologies. Furthermore, we examine the incorporation of LLM-derived embeddings within TGPT and benchmark its performance against fine-tuned LLMs, demonstrating that TGPT achieves superior predictive accuracy as well as faster training and inference. We anticipate that the architectural innovations and practical guidelines from this work will advance foundation models for transaction-like data and catalyze future research in this emerging field.

Han Xu, Menghai Pan, Zhimeng Jiang et al.

The existence of adversarial attacks (or adversarial examples) brings huge concern about the machine learning (ML) model's safety issues. For many safety-critical ML tasks, such as financial forecasting, fraudulent detection, and anomaly detection, the data samples are usually mixed-type, which contain plenty of numerical and categorical features at the same time. However, how to generate adversarial examples with mixed-type data is still seldom studied. In this paper, we propose a novel attack algorithm M-Attack, which can effectively generate adversarial examples in mixed-type data. Based on M-Attack, attackers can attempt to mislead the targeted classification model's prediction, by only slightly perturbing both the numerical and categorical features in the given data samples. More importantly, by adding designed regularizations, our generated adversarial examples can evade potential detection models, which makes the attack indeed insidious. Through extensive empirical studies, we validate the effectiveness and efficiency of our attack method and evaluate the robustness of existing classification models against our proposed attack. The experimental results highlight the feasibility of generating adversarial examples toward machine learning models in real-world applications.

Zhengyu Fang, Zhimeng Jiang, Huiyuan Chen et al.

Diffusion language models (DLMs) have emerged as a promising paradigm for large language models (LLMs), yet the non-deterministic behavior of DLMs remains poorly understood. The existing non-determinism evaluations for LLMs predominantly rely on dataset-level metrics under fixed inference configurations, providing limited insight into how model behavior varies across runs and evaluation conditions. In this work, we show that dataset-level metrics systematically attenuate non-determinism in diffusion language models by aggregating sample-level prediction quality across different runs. As a result, configurations with similar aggregate performance can exhibit substantially different behaviors on individual inputs, leaving fine-grained instability and distinct error patterns uncharacterized. To address this limitation, we conduct a fine-grained evaluation of non-determinism based on sample-level prediction differences across a range of model-related factors-including guidance scale, diffusion steps, and Monte Carlo sampling-as well as system-related factors such as batch size, hardware, and numerical precision. Our analysis reveals that non-determinism in DLMs is pervasive and structured, with code generation exhibiting markedly higher sensitivity to factor-level choices than question answering. To attribute sources of non-determinism evaluation, we introduce Factor Variance Attribution (FVA), a cross-factor analysis metric that decomposes observed non-determinism into variance attributable to different evaluation factor settings. Our findings highlight the need for fine-grained, factor-aware evaluation to enable reliable non-determinism assessment of diffusion language models.

Xiaodong Yang, Xiaoting Li, Huiyuan Chen et al.

Recent studies show that well-devised perturbations on graph structures or node features can mislead trained Graph Neural Network (GNN) models. However, these methods often overlook practical assumptions, over-rely on heuristics, or separate vital attack components. In response, we present GAIM, an integrated adversarial attack method conducted on a node feature basis while considering the strict black-box setting. Specifically, we define an adversarial influence function to theoretically assess the adversarial impact of node perturbations, thereby reframing the GNN attack problem into the adversarial influence maximization problem. In our approach, we unify the selection of the target node and the construction of feature perturbations into a single optimization problem, ensuring a unique and consistent feature perturbation for each target node. We leverage a surrogate model to transform this problem into a solvable linear programming task, streamlining the optimization process. Moreover, we extend our method to accommodate label-oriented attacks, broadening its applicability. Thorough evaluations on five benchmark datasets across three popular models underscore the effectiveness of our method in both untargeted and label-oriented targeted attacks. Through comprehensive analysis and ablation studies, we demonstrate the practical value and efficacy inherent to our design choices.

Yang Xiao, Huiyuan Chen, Kaiyuan Deng et al.

We propose Compressed Video Aggregator (CVA), a lightweight micro-video recommendation module that decouples video information from preference learning. It aggregates frozen VFM embeddings, and uses latent reasoning without cross-attention projection, producing compact video embeddings for recommenders. Due to the redundancy in the frame count of the original benchmark and its overly coarse sampling, we used titles to re-select key frames based on CLIP. Experiments on MicroLens and Short-Video show consistent gains with orders-of-magnitude reductions in training time and GPU memory, and re-selected frames can further enhance the performance of all methods, including CVA. Furthermore, we also discussed the impact of several scenarios involving erroneous titles on our method. Code will be released soon.

Zhe Xu, Ruizhong Qiu, Yuzhong Chen et al.

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks. Overall, according to the space of states and time steps, diffusion generative models can be categorized into discrete-/continuous-state discrete-/continuous-time fashions. In this paper, we formulate the graph diffusion generation in a discrete-state continuous-time setting, which has never been studied in previous graph diffusion models. The rationale of such a formulation is to preserve the discrete nature of graph-structured data and meanwhile provide flexible sampling trade-offs between sample quality and efficiency. Analysis shows that our training objective is closely related to generation quality, and our proposed generation framework enjoys ideal invariant/equivariant properties concerning the permutation of node ordering. Our proposed model shows competitive empirical performance against state-of-the-art graph generation solutions on various benchmarks and, at the same time, can flexibly trade off the generation quality and efficiency in the sampling phase.

Chin-Chia Michael Yeh, Yujie Fan, Xin Dai et al.

Spatial-temporal forecasting systems play a crucial role in addressing numerous real-world challenges. In this paper, we investigate the potential of addressing spatial-temporal forecasting problems using general time series forecasting models, i.e., models that do not leverage the spatial relationships among the nodes. We propose a all-Multi-Layer Perceptron (all-MLP) time series forecasting architecture called RPMixer. The all-MLP architecture was chosen due to its recent success in time series forecasting benchmarks. Furthermore, our method capitalizes on the ensemble-like behavior of deep neural networks, where each individual block within the network behaves like a base learner in an ensemble model, particularly when identity mapping residual connections are incorporated. By integrating random projection layers into our model, we increase the diversity among the blocks' outputs, thereby improving the overall performance of the network. Extensive experiments conducted on the largest spatial-temporal forecasting benchmark datasets demonstrate that the proposed method outperforms alternative methods, including both spatial-temporal graph models and general forecasting models.

Zhengyu Fang, Zhimeng Jiang, Huiyuan Chen et al.

Tabular data generation has attracted significant research interest in recent years, with the tabular diffusion models greatly improving the quality of synthetic data. However, while memorization, where models inadvertently replicate exact or near-identical training data, has been thoroughly investigated in image and text generation, its effects on tabular data remain largely unexplored. In this paper, we conduct the first comprehensive investigation of memorization phenomena in diffusion models for tabular data. Our empirical analysis reveals that memorization appears in tabular diffusion models and increases with larger training epochs. We further examine the influence of factors such as dataset sizes, feature dimensions, and different diffusion models on memorization. Additionally, we provide a theoretical explanation for why memorization occurs in tabular diffusion models. To address this issue, we propose TabCutMix, a simple yet effective data augmentation technique that exchanges randomly selected feature segments between random same-class training sample pairs. Building upon this, we introduce TabCutMixPlus, an enhanced method that clusters features based on feature correlations and ensures that features within the same cluster are exchanged together during augmentation. This clustering mechanism mitigates out-of-distribution (OOD) generation issues by maintaining feature coherence. Experimental results across various datasets and diffusion models demonstrate that TabCutMix effectively mitigates memorization while maintaining high-quality data generation.

Zhengyu Fang, Xiaoge Zhang, Anyin Zhao et al.

In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property prediction, and drug-drug interaction prediction. By summarizing the most recent developments in this area, we underscore the capabilities of GNNs to comprehend intricate molecular patterns, while exploring both their current and prospective applications. We initiate our discussion by examining various molecular representations, followed by detailed discussions and categorization of existing GNN models based on their input types and downstream application tasks. We also collect a list of commonly used benchmark datasets for a variety of applications. We conclude the paper with brief discussions and summarize common trends in this important research area.

Song Wang, Xiaodong Yang, Rashidul Islam et al.

To deal with distribution shifts in graph data, various graph out-of-distribution (OOD) generalization techniques have been recently proposed. These methods often employ a two-step strategy that first creates augmented environments and subsequently identifies invariant subgraphs to improve generalizability. Nevertheless, this approach could be suboptimal from the perspective of consistency. First, the process of augmenting environments by altering the graphs while preserving labels may lead to graphs that are not realistic or meaningfully related to the origin distribution, thus lacking distribution consistency. Second, the extracted subgraphs are obtained from directly modifying graphs, and may not necessarily maintain a consistent predictive relationship with their labels, thereby impacting label consistency. In response to these challenges, we introduce an innovative approach that aims to enhance these two types of consistency for graph OOD generalization. We propose a modifier to obtain both augmented and invariant graphs in a unified manner. With the augmented graphs, we enrich the training data without compromising the integrity of label-graph relationships. The label consistency enhancement in our framework further preserves the supervision information in the invariant graph. We conduct extensive experiments on real-world datasets to demonstrate the superiority of our framework over other state-of-the-art baselines.

Yuchen Yan, Yuzhong Chen, Huiyuan Chen et al.

Graph Neural Networks (GNNs) have exhibited remarkable efficacy in diverse graph learning tasks, particularly on static homophilic graphs. Recent attention has pivoted towards more intricate structures, encompassing (1) static heterophilic graphs encountering the edge heterophily issue in the spatial domain and (2) event-based continuous graphs in the temporal domain. State-of-the-art (SOTA) has been concurrently addressing these two lines of work but tends to overlook the presence of heterophily in the temporal domain, constituting the temporal heterophily issue. Furthermore, we highlight that the edge heterophily issue and the temporal heterophily issue often co-exist in event-based continuous graphs, giving rise to the temporal edge heterophily challenge. To tackle this challenge, this paper first introduces the temporal edge heterophily measurement. Subsequently, we propose the Temporal Heterophilic Graph Convolutional Network (THeGCN), an innovative model that incorporates the low/high-pass graph signal filtering technique to accurately capture both edge (spatial) heterophily and temporal heterophily. Specifically, the THeGCN model consists of two key components: a sampler and an aggregator. The sampler selects events relevant to a node at a given moment. Then, the aggregator executes message-passing, encoding temporal information, node attributes, and edge attributes into node embeddings. Extensive experiments conducted on 5 real-world datasets validate the efficacy of THeGCN.

Zhengyu Fang, Zhimeng Jiang, Huiyuan Chen et al.

Diffusion models have shown strong performance in generating high-quality tabular data, but they carry privacy risks by reproducing exact training samples. While prior work focuses on dataset-level augmentation to reduce memorization, little is known about which individual samples contribute most. We present the first data-centric study of memorization dynamics in tabular diffusion models. We quantify memorization for each real sample based on how many generated samples are flagged as replicas, using a relative distance ratio. Our empirical analysis reveals a heavy-tailed distribution of memorization counts: a small subset of samples contributes disproportionately to leakage, confirmed via sample-removal experiments. To understand this, we divide real samples into top- and non-top-memorized groups and analyze their training-time behaviors. We track when each sample is first memorized and monitor per-epoch memorization intensity (AUC). Memorized samples are memorized slightly earlier and show stronger signals in early training. Based on these insights, we propose DynamicCut, a two-stage, model-agnostic mitigation method: (a) rank samples by epoch-wise intensity, (b) prune a tunable top fraction, and (c) retrain on the filtered dataset. Across multiple tabular datasets and models, DynamicCut reduces memorization with minimal impact on data diversity and downstream performance. It also complements augmentation-based defenses. Furthermore, DynamicCut enables cross-model transferability: high-ranked samples identified from one model (e.g., a diffusion model) are also effective for reducing memorization when removed from others, such as GANs and VAEs.

Jiarui Sun, Chin-Chia Michael Yeh, Yujie Fan et al.

Time series forecasting at scale presents significant challenges for modern prediction systems, particularly when dealing with large sets of synchronized series, such as in a global payment network. In such systems, three key challenges must be overcome for accurate and scalable predictions: 1) emergence of new entities, 2) disappearance of existing entities, and 3) the large number of entities present in the data. The recently proposed Inverted Transformer (iTransformer) architecture has shown promising results by effectively handling variable entities. However, its practical application in large-scale settings is limited by quadratic time and space complexity ($O(N^2)$) with respect to the number of entities $N$. In this paper, we introduce EiFormer, an improved inverted transformer architecture that maintains the adaptive capabilities of iTransformer while reducing computational complexity to linear scale ($O(N)$). Our key innovation lies in restructuring the attention mechanism to eliminate redundant computations without sacrificing model expressiveness. Additionally, we incorporate a random projection mechanism that not only enhances efficiency but also improves prediction accuracy through better feature representation. Extensive experiments on the public LargeST benchmark dataset and a proprietary large-scale time series dataset demonstrate that EiFormer significantly outperforms existing methods in both computational efficiency and forecasting accuracy. Our approach enables practical deployment of transformer-based forecasting in industrial applications where handling time series at scale is essential.

Chin-Chia Michael Yeh, Xiran Fan, Zhimeng Jiang et al.

Spatio-temporal data, prevalent in real-world applications such as traffic monitoring, financial transactions, and ride-share demands, represents a specialized case of multivariate time series characterized by high dimensionality. This high dimensionality necessitates computationally efficient models and benefits from applying univariate forecasting approaches through channel-independent strategies. SparseTSF, a recently proposed competitive univariate forecasting model, leverages periodicity to achieve compactness by focusing on cross-period dynamics, extending the Pareto frontier in terms of model size and predictive performance. However, it underperforms on spatio-temporal data due to limited capture of intra-period temporal dependencies. To address this limitation, we propose UltraSTF, which integrates a cross-period forecasting component with an ultra-compact shape bank component. Our model efficiently captures recurring patterns in time series using the attention mechanism of the shape bank component, significantly enhancing its capability to learn intra-period dynamics. UltraSTF achieves state-of-the-art performance on the LargeST benchmark while utilizing fewer than 0.2% of the parameters required by the second-best methods, thereby further extending the Pareto frontier of existing approaches.

Xiaodong Yang, Huiyuan Chen, Yuchen Yan et al.

The learning objective is integral to collaborative filtering systems, where the Bayesian Personalized Ranking (BPR) loss is widely used for learning informative backbones. However, BPR often experiences slow convergence and suboptimal local optima, partially because it only considers one negative item for each positive item, neglecting the potential impacts of other unobserved items. To address this issue, the recently proposed Sampled Softmax Cross-Entropy (SSM) compares one positive sample with multiple negative samples, leading to better performance. Our comprehensive experiments confirm that recommender systems consistently benefit from multiple negative samples during training. Furthermore, we introduce a \underline{Sim}plified Sampled Softmax \underline{C}ross-\underline{E}ntropy Loss (SimCE), which simplifies the SSM using its upper bound. Our validation on 12 benchmark datasets, using both MF and LightGCN backbones, shows that SimCE significantly outperforms both BPR and SSM.

Yu Wang, Ryan A. Rossi, Namyong Park et al.

Large Generative Models (LGMs) such as GPT, Stable Diffusion, Sora, and Suno are trained on a huge amount of language corpus, images, videos, and audio that are extremely diverse from numerous domains. This training paradigm over diverse well-curated data lies at the heart of generating creative and sensible content. However, all previous graph generative models (e.g., GraphRNN, MDVAE, MoFlow, GDSS, and DiGress) have been trained only on one dataset each time, which cannot replicate the revolutionary success achieved by LGMs in other fields. To remedy this crucial gap, we propose a new class of graph generative model called Large Graph Generative Model (LGGM) that is trained on a large corpus of graphs (over 5000 graphs) from 13 different domains. We empirically demonstrate that the pre-trained LGGM has superior zero-shot generative capability to existing graph generative models. Furthermore, our pre-trained LGGM can be easily fine-tuned with graphs from target domains and demonstrate even better performance than those directly trained from scratch, behaving as a solid starting point for real-world customization. Inspired by Stable Diffusion, we further equip LGGM with the capability to generate graphs given text prompts (Text-to-Graph), such as the description of the network name and domain (i.e., "The power-1138-bus graph represents a network of buses in a power distribution system."), and network statistics (i.e., "The graph has a low average degree, suitable for modeling social media interactions."). This Text-to-Graph capability integrates the extensive world knowledge in the underlying language model, offering users fine-grained control of the generated graphs. We release the code, the model checkpoint, and the datasets at https://lggm-lg.github.io/.

Zhe Xu, Menghai Pan, Yuzhong Chen et al.

Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In the context of graph machine learning, graph rationale is defined to locate the critical subgraph in the given graph topology. In contrast to the rationale subgraph, the remaining subgraph is named the environment subgraph. Graph rationalization can enhance the model performance as the mapping between the graph rationale and prediction label is viewed as invariant, by assumption. To ensure the discriminative power of the extracted rationale subgraphs, a key technique named "intervention" is applied whose heart is that given changing environment subgraphs, the semantics from the rationale subgraph is invariant, guaranteeing the correct prediction result. However, most, if not all, of the existing graph rationalization methods develop their intervention strategies on the graph level, which is coarse-grained. In this paper, we propose fine-grained graph rationalization (FIG). Our idea is driven by the self-attention mechanism, which provides rich interactions between input nodes. Based on that, FIG can achieve node-level and virtual node-level intervention. Our experiments involve 7 real-world datasets, and the proposed FIG shows significant performance advantages compared to 13 baseline methods.

Lan Wang, Yusan Lin, Yuhang Wu et al.

Today's cyber-world is vastly multivariate. Metrics collected at extreme varieties demand multivariate algorithms to properly detect anomalies. However, forecast-based algorithms, as widely proven approaches, often perform sub-optimally or inconsistently across datasets. A key common issue is they strive to be one-size-fits-all but anomalies are distinctive in nature. We propose a method that tailors to such distinction. Presenting FMUAD - a Forecast-based, Multi-aspect, Unsupervised Anomaly Detection framework. FMUAD explicitly and separately captures the signature traits of anomaly types - spatial change, temporal change and correlation change - with independent modules. The modules then jointly learn an optimal feature representation, which is highly flexible and intuitive, unlike most other models in the category. Extensive experiments show our FMUAD framework consistently outperforms other state-of-the-art forecast-based anomaly detectors.

Chin-Chia Michael Yeh, Yan Zheng, Junpeng Wang et al.

The matrix profile is an effective data mining tool that provides similarity join functionality for time series data. Users of the matrix profile can either join a time series with itself using intra-similarity join (i.e., self-join) or join a time series with another time series using inter-similarity join. By invoking either or both types of joins, the matrix profile can help users discover both conserved and anomalous structures in the data. Since the introduction of the matrix profile five years ago, multiple efforts have been made to speed up the computation with approximate joins; however, the majority of these efforts only focus on self-joins. In this work, we show that it is possible to efficiently perform approximate inter-time series similarity joins with error bounded guarantees by creating a compact "dictionary" representation of time series. Using the dictionary representation instead of the original time series, we are able to improve the throughput of an anomaly mining system by at least 20X, with essentially no decrease in accuracy. As a side effect, the dictionaries also summarize the time series in a semantically meaningful way and can provide intuitive and actionable insights. We demonstrate the utility of our dictionary-based inter-time series similarity joins on domains as diverse as medicine and transportation.