Machine learning models in real-world applications often suffer performance issues due to data distribution shifts. Temporal domain generalization aims to adapt models to the ''concept drift,'' maintaining future performance. Existing works based on model-centric training strategies may entail extensive interaction between data and model to appropriately train the model for distribution shifts. To this end, we aim to nip the problem in the bud by generating future domain data for model training and naturally bypassing the cumbersome interaction between data and model. We propose the COncept Drift simulAtor (CODA) framework incorporating a predicted feature correlation matrix to simulate future data for model training. Specifically, the feature correlations matrix serves as a delegation to represent data characteristics at each time point and the trigger for future data generation. Experimental results demonstrate that using CODA-generated data as training input effectively achieves temporal domain generalization across different model architectures with great transferability.

Knowledge graph data are prevalent in real-world applications, and knowledge graph neural networks (KGNNs) are essential techniques for knowledge graph representation learning. Although KGNN effectively models the structural information from knowledge graphs, these frameworks amplify the underlying data bias that leads to discrimination towards certain groups or individuals in resulting applications. Additionally, as existing debiasing approaches mainly focus on entity-wise bias, eliminating the multi-hop relational bias that pervasively exists in knowledge graphs remains an open question. However, it is very challenging to eliminate relational bias due to the sparsity of the paths that generate the bias and the non-linear proximity structure of knowledge graphs. To tackle the challenges, we propose Fair-KGNN, a KGNN framework that simultaneously alleviates multi-hop bias and preserves the proximity information of entity-to-relation in knowledge graphs. The proposed framework is generalizable to mitigate relational bias for all types of KGNN. Fair-KGNN is applicable to incorporate two state-of-the-art KGNN models, RGCN and CompGCN, to mitigate gender-occupation and nationality-salary bias. The experiments carried out on three benchmark knowledge graph datasets demonstrate that Fair-KGNN can effectively mitigate unfair situations during representation learning while preserving the predictive performance of KGNN models. The source code of the proposed method is available at: https://github.com/ynchuang/Mitigating-Relational-Bias-on-Knowledge-Graphs .

The exponential growth in scholarly publications necessitates advanced tools for efficient article retrieval, especially in interdisciplinary fields where diverse terminologies are used to describe similar research. Traditional keyword-based search engines often fall short in assisting users who may not be familiar with specific terminologies. To address this, we present a knowledge graph based paper search engine for biomedical research to enhance the user experience in discovering relevant queries and articles. The system, dubbed DiscoverPath, employs Named Entity Recognition (NER) and part-of-speech (POS) tagging to extract terminologies and relationships from article abstracts to create a KG. To reduce information overload, DiscoverPath presents users with a focused subgraph containing the queried entity and its neighboring nodes and incorporates a query recommendation system enabling users to iteratively refine their queries. The system is equipped with an accessible Graphical User Interface that provides an intuitive visualization of the KG, query recommendations, and detailed article information, enabling efficient article retrieval, thus fostering interdisciplinary knowledge exploration. DiscoverPath is open-sourced at https://github.com/ynchuang/DiscoverPath with a demo video at Youtube.

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.

The role of data in AI has been significantly magnified by the emerging concept of data-centric AI. In contrast to the traditional model-centric paradigm, which focuses on developing more effective models given fixed datasets, data-centric AI emphasizes the systematic engineering of data in building AI systems. However, as a new concept, many critical aspects of data-centric AI remain ambiguous, such as its definitions, associated tasks, algorithms, challenges, and benchmarks. This tutorial aims to review and discuss this emerging field, with a particular focus on the three general data-centric AI goals: training data development, inference data development, and data maintenance. The objective of this tutorial is threefold: (1) to formally categorize the field of data-centric AI using a goal-driven taxonomy and discuss the needs and challenges of each goal, (2) to comprehensively review the state-of-the-art techniques, and (3) to discuss the future perspectives and open research directions to inspire further innovations in this field.

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in recommender systems. Nevertheless, the process of searching and ranking from a large item corpus usually requires high latency, which limits the widespread deployment of GNNs in industry-scale applications. To address this issue, many methods compress user/item representations into the binary embedding space to reduce space requirements and accelerate inference. Also, they use the Straight-through Estimator (STE) to prevent vanishing gradients during back-propagation. However, the STE often causes the gradient mismatch problem, leading to sub-optimal results.

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.

The role of data in building AI systems has recently been significantly magnified by the emerging concept of data-centric AI (DCAI), which advocates a fundamental shift from model advancements to ensuring data quality and reliability. Although our community has continuously invested efforts into enhancing data in different aspects, they are often isolated initiatives on specific tasks. To facilitate the collective initiative in our community and push forward DCAI, we draw a big picture and bring together three general missions: training data development, evaluation data development, and data maintenance. We provide a top-level discussion on representative DCAI tasks and share perspectives. Finally, we list open challenges to motivate future exploration.

Imbalanced learning is a fundamental challenge in data mining, where there is a disproportionate ratio of training samples in each class. Over-sampling is an effective technique to tackle imbalanced learning through generating synthetic samples for the minority class. While numerous over-sampling algorithms have been proposed, they heavily rely on heuristics, which could be sub-optimal since we may need different sampling strategies for different datasets and base classifiers, and they cannot directly optimize the performance metric. Motivated by this, we investigate developing a learning-based over-sampling algorithm to optimize the classification performance, which is a challenging task because of the huge and hierarchical decision space. At the high level, we need to decide how many synthetic samples to generate. At the low level, we need to determine where the synthetic samples should be located, which depends on the high-level decision since the optimal locations of the samples may differ for different numbers of samples. To address the challenges, we propose AutoSMOTE, an automated over-sampling algorithm that can jointly optimize different levels of decisions. Motivated by the success of SMOTE and its extensions, we formulate the generation process as a Markov decision process (MDP) consisting of three levels of policies to generate synthetic samples within the SMOTE search space. Then we leverage deep hierarchical reinforcement learning to optimize the performance metric on the validation data. Extensive experiments on six real-world datasets demonstrate that AutoSMOTE significantly outperforms the state-of-the-art resampling algorithms. The code is at https://github.com/daochenzha/autosmote

We study time-series classification (TSC), a fundamental task of time-series data mining. Prior work has approached TSC from two major directions: (1) similarity-based methods that classify time-series based on the nearest neighbors, and (2) deep learning models that directly learn the representations for classification in a data-driven manner. Motivated by the different working mechanisms within these two research lines, we aim to connect them in such a way as to jointly model time-series similarities and learn the representations. This is a challenging task because it is unclear how we should efficiently leverage similarity information. To tackle the challenge, we propose Similarity-Aware Time-Series Classification (SimTSC), a conceptually simple and general framework that models similarity information with graph neural networks (GNNs). Specifically, we formulate TSC as a node classification problem in graphs, where the nodes correspond to time-series, and the links correspond to pair-wise similarities. We further design a graph construction strategy and a batch training algorithm with negative sampling to improve training efficiency. We instantiate SimTSC with ResNet as the backbone and Dynamic Time Warping (DTW) as the similarity measure. Extensive experiments on the full UCR datasets and several multivariate datasets demonstrate the effectiveness of incorporating similarity information into deep learning models in both supervised and semi-supervised settings. Our code is available at https://github.com/daochenzha/SimTSC.

Graph Neural Networks (GNNs) provide a class of powerful architectures that are effective for graph-based collaborative filtering. Nevertheless, GNNs are known to be vulnerable to adversarial perturbations. Adversarial training is a simple yet effective way to improve the robustness of neural models. For example, many prior studies inject adversarial perturbations into either node features or hidden layers of GNNs. However, perturbing graph structures has been far less studied in recommendations.

High false-positive rate is a long-standing challenge for anomaly detection algorithms, especially in high-stake applications. To identify the true anomalies, in practice, analysts or domain experts will be employed to investigate the top instances one by one in a ranked list of anomalies identified by an anomaly detection system. This verification procedure generates informative labels that can be leveraged to re-rank the anomalies so as to help the analyst to discover more true anomalies given a time budget. Some re-ranking strategies have been proposed to approximate the above sequential decision process. Specifically, existing strategies have been focused on making the top instances more likely to be anomalous based on the feedback. Then they greedily select the top-1 instance for query. However, these greedy strategies could be sub-optimal since some low-ranked instances could be more helpful in the long-term. Motivated by this, in this work, we study whether modeling long-term performance can benefit active anomaly detection. This is a challenging task because it is unclear how long-term performance could be quantified. In addition, the query selection has a huge decision space, which is difficult to model. To address these challenges, we propose Active Anomaly Detection with Meta-Policy (Meta-AAD), a novel framework that learns a meta-policy for query selection. Specifically, Meta-AAD leverages deep reinforcement learning to train the meta-policy to select the most proper instance to explicitly optimize the number of discovered anomalies throughout the querying process. Meta-AAD is easy to deploy since a trained meta-policy can be directly applied to any new datasets without further tuning. Extensive experiments on 24 benchmark datasets demonstrate that Meta-AAD significantly outperforms the state-of-the-art re-ranking strategies and the unsupervised baseline. The empirical analysis shows that the trained meta-policy is transferable and inherently achieves a balance between long-term and short-term rewards.

Graph data are pervasive in many real-world applications. Recently, increasing attention has been paid on graph neural networks (GNNs), which aim to model the local graph structures and capture the hierarchical patterns by aggregating the information from neighbors with stackable network modules. Motivated by the observation that different nodes often require different iterations of aggregation to fully capture the structural information, in this paper, we propose to explicitly sample diverse iterations of aggregation for different nodes to boost the performance of GNNs. It is a challenging task to develop an effective aggregation strategy for each node, given complex graphs and sparse features. Moreover, it is not straightforward to derive an efficient algorithm since we need to feed the sampled nodes into different number of network layers. To address the above challenges, we propose Policy-GNN, a meta-policy framework that models the sampling procedure and message passing of GNNs into a combined learning process. Specifically, Policy-GNN uses a meta-policy to adaptively determine the number of aggregations for each node. The meta-policy is trained with deep reinforcement learning~(RL) by exploiting the feedback from the model. We further introduce parameter sharing and a buffer mechanism to boost the training efficiency. Experimental results on three real-world benchmark datasets suggest that Policy-GNN significantly outperforms the state-of-the-art alternatives, showing the promise in aggregation optimization for GNNs.

We present NavWalker, a flexible random walk-based approach for learning the representations of vertices in an information network. The proposed method enables us to incorporate different walk strategies into the sampling process of random walks, in order to further boost the network embedding techniques. Specifically, we formulate the proposed method by integrating the adjacency matrix of a network with a pre-defined information augmentation matrix. In contrast to SkipGram-based network embedding methods such as DeepWalk and Node2vec, which use only local network information to learn the representations, our method is flexible to further incorporate global or other auxiliary network information to guide the sampling process. Experiments on six real-world datasets demonstrate the advantages of the flexibility and its superior performance as compared to other state-of-the-art network embedding algorithms for the tasks of classification and recommendation.