Graph-based social recommendation (SocialRec) has emerged as a powerful extension of graph collaborative filtering (GCF), which leverages graph neural networks (GNNs) to capture multi-hop collaborative signals from user-item interactions. These methods enrich user representations by incorporating social network information into GCF, thereby integrating additional collaborative signals from social relations. However, existing GCF and graph-based SocialRec approaches face significant challenges: they incur high computational costs and suffer from limited scalability due to the large number of parameters required to assign explicit embeddings to all users and items. In this work, we propose PULSE (Parameter-efficient User representation Learning with Social Knowledge), a framework that addresses this limitation by constructing user representations from socially meaningful signals without creating an explicit learnable embedding for each user. PULSE reduces the parameter size by up to 50% compared to the most lightweight GCF baseline. Beyond parameter efficiency, our method achieves state-of-the-art performance, outperforming 13 GCF and graph-based social recommendation baselines across varying levels of interaction sparsity, from cold-start to highly active users, through a time- and memory-efficient modeling process.

Adversarial attacks are allegedly unnoticeable. Prior studies have designed attack noticeability measures on graphs, primarily using statistical tests to compare the topology of original and (possibly) attacked graphs. However, we observe two critical limitations in the existing measures. First, because the measures rely on simple rules, attackers can readily enhance their attacks to bypass them, reducing their attack ''noticeability'' and, yet, maintaining their attack performance. Second, because the measures naively leverage global statistics, such as degree distributions, they may entirely overlook attacks until severe perturbations occur, letting the attacks be almost ''totally unnoticeable.''

Large Language Models (LLMs) have recently emerged as promising tools for recommendation thanks to their advanced textual understanding ability and context-awareness. Despite the current practice of training and evaluating LLM-based recommendation (LLM4Rec) models under a sequential recommendation scenario, we found that whether these models understand the sequential information inherent in users' item interaction sequences has been largely overlooked. In this paper, we first demonstrate through a series of experiments that existing LLM4Rec models do not fully capture sequential information both during training and inference. Then, we propose a simple yet effective LLM-based sequential recommender, called LLM-SRec, a method that enhances the integration of sequential information into LLMs by distilling the user representations extracted from a pre-trained CF-SRec model into LLMs. Our extensive experiments show that LLM-SRec enhances LLMs' ability to understand users' item interaction sequences, ultimately leading to improved recommendation performance. Furthermore, unlike existing LLM4Rec models that require fine-tuning of LLMs, LLM-SRec achieves state-of-the-art performance by training only a few lightweight MLPs, highlighting its practicality in real-world applications. Our code is available at https://github.com/Sein-Kim/LLM-SRec.

Various representation learning methods for molecular structures have been devised to accelerate data-driven chemistry. However, the representation capabilities of existing methods are essentially limited to atom-level information, which is not sufficient to describe real-world molecular physics. Although electron-level information can provide fundamental knowledge about chemical compounds beyond the atom-level information, obtaining the electron-level information in real-world molecules is computationally impractical and sometimes infeasible. We propose a method for learning electron-informed molecular representations without additional computation costs by transferring readily accessible electron-level information about small molecules to large molecules of our interest. The proposed method achieved state-of-the-art prediction accuracy on extensive benchmark datasets containing experimentally observed molecular physics. The source code for HEDMoL is available at https://github.com/ngs00/HEDMoL.

In real-world graphs, we often encounter missing feature situations where a few or the majority of node features, e.g., sensitive information, are missed. In such scenarios, directly utilizing Graph Neural Networks (GNNs) would yield sub-optimal results in downstream tasks such as node classification. Despite the emergence of a few GNN-based methods attempting to mitigate its missing situation, when only a few features are available, they rather perform worse than traditional structure-based models. To this end, we propose a novel framework that further illuminates the potential of classical Label Propagation (Oldie), taking advantage of Feature Propagation, especially when only a partial feature is available. Now called by GOODIE, it takes a hybrid approach to obtain embeddings from the Label Propagation branch and Feature Propagation branch. To do so, we first design a GNN-based decoder that enables the Label Propagation branch to output hidden embeddings that align with those of the FP branch. Then, GOODIE automatically captures the significance of structure and feature information thanks to the newly designed Structure-Feature Attention. Followed by a novel Pseudo-Label contrastive learning that differentiates the contribution of each positive pair within pseudo-labels originating from the LP branch, GOODIE outputs the final prediction for the unlabeled nodes. Through extensive experiments, we demonstrate that our proposed model, GOODIE, outperforms the existing state-of-the-art methods not only when only a few features are available but also in abundantly available situations. Source code of GOODIE is available at: https://github.com/SukwonYun/GOODIE.

Traditional user modeling (UM) approaches have primarily focused on designing models for a single specific task, but they face limitations in generalization and adaptability across various tasks. Recognizing these challenges, recent studies have shifted towards continual learning (CL)-based universal user representation learning aiming to develop a single model capable of handling multiple tasks. Despite advancements, existing methods are in fact evaluated under an unrealistic scenario that does not consider the passage of time as tasks progress, which overlooks newly emerged items that may change the item distribution of previous tasks. In this paper, we introduce a practical evaluation scenario on which CL-based universal user representation learning approaches should be evaluated, which takes into account the passage of time as tasks progress. Then, we propose a novel framework DynamIc Time-aware conTinual user representatiOn learner, named DITTO, designed to alleviate catastrophic forgetting despite continuous shifts in item distribution, while also allowing the knowledge acquired from previous tasks to adapt to the current shifted item distribution. Through our extensive experiments, we demonstrate the superiority of DITTO over state-of-the-art methods under a practical evaluation scenario. Our source code is available at https://github.com/seungyoon-Choi/DITTO_official.

Multi-modal recommender systems (MRSs) have achieved notable success in improving personalization by leveraging diverse modalities such as images, text, and audio. However, two key challenges remain insufficiently addressed: (1) Insufficient consideration of missing modality scenarios and (2) the overlooking of unique characteristics of modality features. These challenges result in significant performance degradation in realistic situations where modalities are missing. To address these issues, we propose Disentangling and Generating Modality Recommender (DGMRec), a novel framework tailored for missing modality scenarios. DGMRec disentangles modality features into general and specific modality features from an information-based perspective, enabling richer representations for recommendation. Building on this, it generates missing modality features by integrating aligned features from other modalities and leveraging user modality preferences. Extensive experiments show that DGMRec consistently outperforms state-of-the-art MRSs in challenging scenarios, including missing modalities and new item settings as well as diverse missing ratios and varying levels of missing modalities. Moreover, DGMRec's generation-based approach enables cross-modal retrieval, a task inapplicable for existing MRSs, highlighting its adaptability and potential for real-world applications. Our code is available at https://github.com/ptkjw1997/DGMRec.

Social graph-based fake news detection aims to identify news articles containing false information by utilizing social contexts, e.g., user information, tweets and comments. However, conventional methods are evaluated under less realistic scenarios, where the model has access to future knowledge on article-related and context-related data during training. In this work, we newly formalize a more realistic evaluation scheme that mimics real-world scenarios, where the data is temporality-aware and the detection model can only be trained on data collected up to a certain point in time. We show that the discriminative capabilities of conventional methods decrease sharply under this new setting, and further propose DAWN, a method more applicable to such scenarios. Our empirical findings indicate that later engagements (e.g., consuming or reposting news) contribute more to noisy edges that link real news-fake news pairs in the social graph. Motivated by this, we utilize feature representations of engagement earliness to guide an edge weight estimator to suppress the weights of such noisy edges, thereby enhancing the detection performance of DAWN. Through extensive experiments, we demonstrate that DAWN outperforms existing fake news detection methods under real-world environments. The source code is available at https://github.com/LeeJunmo/DAWN.

Recently, there has been a growing interest among researchers in understanding molecules and their textual descriptions through molecule language models (MoLM). However, despite some early promising developments, the advancement of MoLM still trails significantly behind that of vision language models (VLM). This is because unique challenges exist apart from VLM in the field of MoLM due to 1) a limited amount of molecule-text paired data and 2) missing expertise that occurred due to the specialized areas of focus among the experts. To this end, we propose AMOLE, which 1) augments molecule-text pairs with structural similarity preserving loss, and 2) transfers the expertise between the molecules. Specifically, AMOLE enriches molecule-text pairs by sharing descriptions among structurally similar molecules with a novel structural similarity preserving loss. Moreover, we propose an expertise reconstruction loss to transfer knowledge from molecules that have extensive expertise to those with less expertise. Extensive experiments on various downstream tasks demonstrate the superiority of AMOLE in comprehending molecules and their descriptions, highlighting its potential for application in real-world drug discovery. The source code for AMOLE is available at https://github.com/Namkyeong/AMOLE.

Graph neural networks (GNN) are vulnerable to adversarial attacks, which aim to degrade the performance of GNNs through imperceptible changes on the graph. However, we find that in fact the prevalent meta-gradient-based attacks, which utilizes the gradient of the loss w.r.t the adjacency matrix, are biased towards training nodes. That is, their meta-gradient is determined by a training procedure of the surrogate model, which is solely trained on the training nodes. This bias manifests as an uneven perturbation, con- necting two nodes when at least one of them is a labeled node, i.e., training node, while it is unlikely to connect two unlabeled nodes. However, these biased attack approaches are sub-optimal as they do not consider flipping edges between two unlabeled nodes at all. This means that they miss the potential attacked edges between unlabeled nodes that significantly alter the representation of a node. In this paper, we investigate the meta-gradients to uncover the root cause of the uneven perturbations of existing attacks. Based on our analysis, we propose a Meta-gradient-based attack method using contrastive surrogate objective (Metacon), which alleviates the bias in meta-gradient using a new surrogate loss. We conduct extensive experiments to show that Metacon outperforms existing meta gradient-based attack methods through benchmark datasets, while showing that alleviating the bias towards training nodes is effective in attacking the graph structure.

Collaborative filtering recommender systems (CF-RecSys) have shown successive results in enhancing the user experience on social media and e-commerce platforms. However, as CF-RecSys struggles under cold scenarios with sparse user-item interactions, recent strategies have focused on leveraging modality information of user/items (e.g., text or images) based on pre-trained modality encoders and Large Language Models (LLMs). Despite their effectiveness under cold scenarios, we observe that they underperform simple traditional collaborative filtering models under warm scenarios due to the lack of collaborative knowledge. In this work, we propose an efficient All-round LLM-based Recommender system, called A-LLMRec, that excels not only in the cold scenario but also in the warm scenario. Our main idea is to enable an LLM to directly leverage the collaborative knowledge contained in a pre-trained state-of-the-art CF-RecSys so that the emergent ability of the LLM as well as the high-quality user/item embeddings that are already trained by the state-of-the-art CF-RecSys can be jointly exploited. This approach yields two advantages: (1) model-agnostic, allowing for integration with various existing CF-RecSys, and (2) efficiency, eliminating the extensive fine-tuning typically required for LLM-based recommenders. Our extensive experiments on various real-world datasets demonstrate the superiority of A-LLMRec in various scenarios, including cold/warm, few-shot, cold user, and cross-domain scenarios. Beyond the recommendation task, we also show the potential of A-LLMRec in generating natural language outputs based on the understanding of the collaborative knowledge by performing a favorite genre prediction task. Our code is available at https://github.com/ghdtjr/A-LLMRec.

Temporal Graph Neural Networks (TGNN) have the ability to capture both the graph topology and dynamic dependencies of interactions within a graph over time. There has been a growing need to explain the predictions of TGNN models due to the difficulty in identifying how past events influence their predictions. Since the explanation model for a static graph cannot be readily applied to temporal graphs due to its inability to capture temporal dependencies, recent studies proposed explanation models for temporal graphs. However, existing explanation models for temporal graphs rely on post-hoc explanations, requiring separate models for prediction and explanation, which is limited in two aspects: efficiency and accuracy of explanation. In this work, we propose a novel built-in explanation framework for temporal graphs, called Self-Explainable Temporal Graph Networks based on Graph Information Bottleneck (TGIB). TGIB provides explanations for event occurrences by introducing stochasticity in each temporal event based on the Information Bottleneck theory. Experimental results demonstrate the superiority of TGIB in terms of both the link prediction performance and explainability compared to state-of-the-art methods. This is the first work that simultaneously performs prediction and explanation for temporal graphs in an end-to-end manner. The source code of TGIB is available at https://github.com/sang-woo-seo/TGIB.

We investigate the replay buffer in rehearsal-based approaches for graph continual learning (GCL) methods. Existing rehearsal-based GCL methods select the most representative nodes for each class and store them in a replay buffer for later use in training subsequent tasks. However, we discovered that considering only the class representativeness of each replayed node makes the replayed nodes to be concentrated around the center of each class, incurring a potential risk of overfitting to nodes residing in those regions, which aggravates catastrophic forgetting. Moreover, as the rehearsal-based approach heavily relies on a few replayed nodes to retain knowledge obtained from previous tasks, involving the replayed nodes that have irrelevant neighbors in the model training may have a significant detrimental impact on model performance. In this paper, we propose a GCL model named DSLR, specifically, we devise a coverage-based diversity (CD) approach to consider both the class representativeness and the diversity within each class of the replayed nodes. Moreover, we adopt graph structure learning (GSL) to ensure that the replayed nodes are connected to truly informative neighbors. Extensive experimental results demonstrate the effectiveness and efficiency of DSLR. Our source code is available at https://github.com/seungyoon-Choi/DSLR_official.

Recent studies have revealed that GNNs are vulnerable to adversarial attacks. To defend against such attacks, robust graph structure refinement (GSR) methods aim at minimizing the effect of adversarial edges based on node features, graph structure, or external information. However, we have discovered that existing GSR methods are limited by narrowassumptions, such as assuming clean node features, moderate structural attacks, and the availability of external clean graphs, resulting in the restricted applicability in real-world scenarios. In this paper, we propose a self-guided GSR framework (SG-GSR), which utilizes a clean sub-graph found within the given attacked graph itself. Furthermore, we propose a novel graph augmentation and a group-training strategy to handle the two technical challenges in the clean sub-graph extraction: 1) loss of structural information, and 2) imbalanced node degree distribution. Extensive experiments demonstrate the effectiveness of SG-GSR under various scenarios including non-targeted attacks, targeted attacks, feature attacks, e-commerce fraud, and noisy node labels. Our code is available at https://github.com/yeonjun-in/torch-SG-GSR.

Unsupervised GAD methods assume the lack of anomaly labels, i.e., whether a node is anomalous or not. One common observation we made from previous unsupervised methods is that they not only assume the absence of such anomaly labels, but also the absence of class labels (the class a node belongs to used in a general node classification task). In this work, we study the utility of class labels for unsupervised GAD; in particular, how they enhance the detection of structural anomalies. To this end, we propose a Class Label-aware Graph Anomaly Detection framework (CLAD) that utilizes a limited amount of labeled nodes to enhance the performance of unsupervised GAD. Extensive experiments on ten datasets demonstrate the superior performance of CLAD in comparison to existing unsupervised GAD methods, even in the absence of ground-truth class label information. The source code for CLAD is available at https://github.com/jhkim611/CLAD.

Existing studies for applying the mixup technique on graphs mainly focus on graph classification tasks, while the research in node classification is still under-explored. In this paper, we propose a novel mixup augmentation for node classification called Structural Mixup (S-Mixup). The core idea is to take into account the structural information while mixing nodes. Specifically, S-Mixup obtains pseudo-labels for unlabeled nodes in a graph along with their prediction confidence via a Graph Neural Network (GNN) classifier. These serve as the criteria for the composition of the mixup pool for both inter and intra-class mixups. Furthermore, we utilize the edge gradient obtained from the GNN training and propose a gradient-based edge selection strategy for selecting edges to be attached to the nodes generated by the mixup. Through extensive experiments on real-world benchmark datasets, we demonstrate the effectiveness of S-Mixup evaluated on the node classification task. We observe that S-Mixup enhances the robustness and generalization performance of GNNs, especially in heterophilous situations. The source code of S-Mixup can be found at https://github.com/SukwonYun/S-Mixup

Recommender systems have become indispensable in music streaming services, enhancing user experiences by personalizing playlists and facilitating the serendipitous discovery of new music. However, the existing recommender systems overlook the unique challenges inherent in the music domain, specifically shuffle play, which provides subsequent tracks in a random sequence. Based on our observation that the shuffle play sessions hinder the overall training process of music recommender systems mainly due to the high unique transition rates of shuffle play sessions, we propose a Music Recommender System with Shuffle Play Recommendation Enhancement (MUSE). MUSE employs the self-supervised learning framework that maximizes the agreement between the original session and the augmented session, which is augmented by our novel session augmentation method, called transition-based augmentation. To further facilitate the alignment of the representations between the two views, we devise two fine-grained matching strategies, i.e., item- and similarity-based matching strategies. Through rigorous experiments conducted across diverse environments, we demonstrate MUSE's efficacy over 12 baseline models on a large-scale Music Streaming Sessions Dataset (MSSD) from Spotify. The source code of MUSE is available at https://github.com/yunhak0/MUSE.

Recent works demonstrate that GNN models are vulnerable to adversarial attacks, which refer to imperceptible perturbation on the graph structure and node features. Among various GNN models, graph contrastive learning (GCL) based methods specifically suffer from adversarial attacks due to their inherent design that highly depends on the self-supervision signals derived from the original graph, which however already contains noise when the graph is attacked. To achieve adversarial robustness against such attacks, existing methods adopt adversarial training (AT) to the GCL framework, which considers the attacked graph as an augmentation under the GCL framework. However, we find that existing adversarially trained GCL methods achieve robustness at the expense of not being able to preserve the node feature similarity. In this paper, we propose a similarity-preserving adversarial graph contrastive learning (SP-AGCL) framework that contrasts the clean graph with two auxiliary views of different properties (i.e., the node similarity-preserving view and the adversarial view). Extensive experiments demonstrate that SP-AGCL achieves a competitive performance on several downstream tasks, and shows its effectiveness in various scenarios, e.g., a network with adversarial attacks,noisy labels, and heterophilous neighbors. Our code is available at https://github.com/yeonjun-in/torch-SP-AGCL.

Although Graph Neural Networks (GNNs) have been successful in node classification tasks, their performance heavily relies on the availability of a sufficient number of labeled nodes per class. In real-world situations, not all classes have many labeled nodes and there may be instances where the model needs to classify new classes, making manual labeling difficult. To solve this problem, it is important for GNNs to be able to classify nodes with a limited number of labeled nodes, known as few-shot node classification. Previous episodic meta-learning based methods have demonstrated success in few-shot node classification, but our findings suggest that optimal performance can only be achieved with a substantial amount of diverse training meta-tasks. To address this challenge of meta-learning based few-shot learning (FSL), we propose a new approach, the Task-Equivariant Graph few-shot learning (TEG) framework. Our TEG framework enables the model to learn transferable task-adaptation strategies using a limited number of training meta-tasks, allowing it to acquire meta-knowledge for a wide range of meta-tasks. By incorporating equivariant neural networks, TEG can utilize their strong generalization abilities to learn highly adaptable task-specific strategies. As a result, TEG achieves state-of-the-art performance with limited training meta-tasks. Our experiments on various benchmark datasets demonstrate TEG's superiority in terms of accuracy and generalization ability, even when using minimal meta-training data, highlighting the effectiveness of our proposed approach in addressing the challenges of meta-learning based few-shot node classification. Our code is available at the following link: https://github.com/sung-won-kim/TEG

User modeling, which learns to represent users into a low-dimensional representation space based on their past behaviors, got a surge of interest from the industry for providing personalized services to users. Previous efforts in user modeling mainly focus on learning a task-specific user representation that is designed for a single task. However, since learning task-specific user representations for every task is infeasible, recent studies introduce the concept of universal user representation, which is a more generalized representation of a user that is relevant to a variety of tasks. Despite their effectiveness, existing approaches for learning universal user representations are impractical in real-world applications due to the data requirement, catastrophic forgetting and the limited learning capability for continually added tasks. In this paper, we propose a novel continual user representation learning method, called TERACON, whose learning capability is not limited as the number of learned tasks increases while capturing the relationship between the tasks. The main idea is to introduce an embedding for each task, i.e., task embedding, which is utilized to generate task-specific soft masks that not only allow the entire model parameters to be updated until the end of training sequence, but also facilitate the relationship between the tasks to be captured. Moreover, we introduce a novel knowledge retention module with pseudo-labeling strategy that successfully alleviates the long-standing problem of continual learning, i.e., catastrophic forgetting. Extensive experiments on public and proprietary real-world datasets demonstrate the superiority and practicality of TERACON. Our code is available at https://github.com/Sein-Kim/TERACON.

Recently, molecular relational learning, whose goal is to predict the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. In this work, we propose CMRL that is robust to the distributional shift in molecular relational learning by detecting the core substructure that is causally related to chemical reactions. To do so, we first assume a causal relationship based on the domain knowledge of molecular sciences and construct a structural causal model (SCM) that reveals the relationship between variables. Based on the SCM, we introduce a novel conditional intervention framework whose intervention is conditioned on the paired molecule. With the conditional intervention framework, our model successfully learns from the causal substructure and alleviates the confounding effect of shortcut substructures that are spuriously correlated to chemical reactions. Extensive experiments on various tasks with real-world and synthetic datasets demonstrate the superiority of CMRL over state-of-the-art baseline models.

The long-tailed problem is a long-standing challenge in Sequential Recommender Systems (SRS) in which the problem exists in terms of both users and items. While many existing studies address the long-tailed problem in SRS, they only focus on either the user or item perspective. However, we discover that the long-tailed user and item problems exist at the same time, and considering only either one of them leads to sub-optimal performance of the other one. In this paper, we propose a novel framework for SRS, called Mutual Enhancement of Long-Tailed user and item (MELT), that jointly alleviates the long-tailed problem in the perspectives of both users and items. MELT consists of bilateral branches each of which is responsible for long-tailed users and items, respectively, and the branches are trained to mutually enhance each other, which is trained effectively by a curriculum learning-based training. MELT is model-agnostic in that it can be seamlessly integrated with existing SRS models. Extensive experiments on eight datasets demonstrate the benefit of alleviating the long-tailed problems in terms of both users and items even without sacrificing the performance of head users and items, which has not been achieved by existing methods. To the best of our knowledge, MELT is the first work that jointly alleviates the long-tailed user and item problems in SRS.

Sequential recommender systems have shown effective suggestions by capturing users' interest drift. There have been two groups of existing sequential models: user- and item-centric models. The user-centric models capture personalized interest drift based on each user's sequential consumption history, but do not explicitly consider whether users' interest in items sustains beyond the training time, i.e., interest sustainability. On the other hand, the item-centric models consider whether users' general interest sustains after the training time, but it is not personalized. In this work, we propose a recommender system taking advantages of the models in both categories. Our proposed model captures personalized interest sustainability, indicating whether each user's interest in items will sustain beyond the training time or not. We first formulate a task that requires to predict which items each user will consume in the recent period of the training time based on users' consumption history. We then propose simple yet effective schemes to augment users' sparse consumption history. Extensive experiments show that the proposed model outperforms 10 baseline models on 11 real-world datasets. The codes are available at: https://github.com/dmhyun/PERIS.

Over the past few years, graph representation learning (GRL) has been a powerful strategy for analyzing graph-structured data. Recently, GRL methods have shown promising results by adopting self-supervised learning methods developed for learning representations of images. Despite their success, existing GRL methods tend to overlook an inherent distinction between images and graphs, i.e., images are assumed to be independently and identically distributed, whereas graphs exhibit relational information among data instances, i.e., nodes. To fully benefit from the relational information inherent in the graph-structured data, we propose a novel GRL method, called RGRL, that learns from the relational information generated from the graph itself. RGRL learns node representations such that the relationship among nodes is invariant to augmentations, i.e., augmentation-invariant relationship, which allows the node representations to vary as long as the relationship among the nodes is preserved. By considering the relationship among nodes in both global and local perspectives, RGRL overcomes limitations of previous contrastive and non-contrastive methods, and achieves the best of both worlds. Extensive experiments on fourteen benchmark datasets over various downstream tasks demonstrate the superiority of RGRL over state-of-the-art baselines. The source code for RGRL is available at https://github.com/Namkyeong/RGRL.

Existing Graph Neural Networks (GNNs) usually assume a balanced situation where both the class distribution and the node degree distribution are balanced. However, in real-world situations, we often encounter cases where a few classes (i.e., head class) dominate other classes (i.e., tail class) as well as in the node degree perspective, and thus naively applying existing GNNs eventually fall short of generalizing to the tail cases. Although recent studies proposed methods to handle long-tail situations on graphs, they only focus on either the class long-tailedness or the degree long-tailedness. In this paper, we propose a novel framework for training GNNs, called Long-Tail Experts for Graphs (LTE4G), which jointly considers the class long-tailedness, and the degree long-tailedness for node classification. The core idea is to assign an expert GNN model to each subset of nodes that are split in a balanced manner considering both the class and degree long-tailedness. After having trained an expert for each balanced subset, we adopt knowledge distillation to obtain two class-wise students, i.e., Head class student and Tail class student, each of which is responsible for classifying nodes in the head classes and tail classes, respectively. We demonstrate that LTE4G outperforms a wide range of state-of-the-art methods in node classification evaluated on both manual and natural imbalanced graphs. The source code of LTE4G can be found at https://github.com/SukwonYun/LTE4G.

Sets have been used for modeling various types of objects, and measuring similarity between them has been a key building block of a wide range of applications. However, as sets have grown in numbers and sizes, the computational cost and storage required for set similarity computation have become substantial. In this work, we propose SET2Box, which represents sets as boxes to precisely capture overlaps of sets and thus accurately estimate various similarity measures. Additionally, based on the proposed box quantization scheme, we design SET2Box+, which yields more concise but more accurate box representations of sets. Through extensive experiments on 8 real-world datasets, we show that, compared to baseline approaches, SET2Box+is (a) Accurate: achieving up to $40.8\times$ smaller estimation error while requiring 60% fewer bits to encode sets, (b) Concise: yielding up to $96.8\times$ more concise representations with similar estimation error, and (c) Versatile: enabling the estimation of four set-similarity measures from a single representation of each set. For reproducibility, the source code and datasets used in the paper are available at https://github.com/geon0325/Set2Box.

Extrapolation to predict unseen data outside the training distribution is a common challenge in real-world scientific applications of physics and chemistry. However, the extrapolation capabilities of neural networks have not been extensively studied in machine learning. Although it has been recently revealed that neural networks become linear regression in extrapolation problems, a universally applicable method to support the extrapolation of neural networks in general regression settings has not been investigated. In this paper, we propose automated nonlinearity encoder (ANE) that is a data-agnostic embedding method to improve the extrapolation capabilities of neural networks by conversely linearizing the original input-to-target relationships without architectural modifications of prediction models. ANE achieved state-of-the-art extrapolation accuracies in extensive scientific applications of various data formats. As a real-world application, we applied ANE for high-throughput screening to discover novel solar cell materials, and ANE significantly improved the screening accuracy.

Despite the success of Graph Neural Networks (GNNs) on various applications, GNNs encounter significant performance degradation when the amount of supervision signals, i.e., number of labeled nodes, is limited, which is expected as GNNs are trained solely based on the supervision obtained from the labeled nodes. On the other hand, recent self-supervised learning paradigm aims to train GNNs by solving pretext tasks that do not require any labeled nodes, and it has shown to even outperform GNNs trained with few labeled nodes. However, a major drawback of self-supervised methods is that they fall short of learning class discriminative node representations since no labeled information is utilized during training. To this end, we propose a novel semi-supervised method for graphs, GraFN, that leverages few labeled nodes to ensure nodes that belong to the same class to be grouped together, thereby achieving the best of both worlds of semi-supervised and self-supervised methods. Specifically, GraFN randomly samples support nodes from labeled nodes and anchor nodes from the entire graph. Then, it minimizes the difference between two predicted class distributions that are non-parametrically assigned by anchor-supports similarity from two differently augmented graphs. We experimentally show that GraFN surpasses both the semi-supervised and self-supervised methods in terms of node classification on real-world graphs.

Hypergraphs (i.e., sets of hyperedges) naturally represent group relations (e.g., researchers co-authoring a paper and ingredients used together in a recipe), each of which corresponds to a hyperedge (i.e., a subset of nodes). Predicting future or missing hyperedges bears significant implications for many applications (e.g., collaboration and recipe recommendation). What makes hyperedge prediction particularly challenging is the vast number of non-hyperedge subsets, which grows exponentially with the number of nodes. Since it is prohibitive to use all of them as negative examples for model training, it is inevitable to sample a very small portion of them, and to this end, heuristic sampling schemes have been employed. However, trained models suffer from poor generalization capability for examples of different natures. In this paper, we propose AHP, an adversarial training-based hyperedge-prediction method. It learns to sample negative examples without relying on any heuristic schemes. Using six real hypergraphs, we show that AHP generalizes better to negative examples of various natures. It yields up to 28.2% higher AUROC than the best existing methods and often even outperforms its variants with sampling schemes tailored to test sets.

With the great success of deep learning in various domains, graph neural networks (GNNs) also become a dominant approach to graph classification. By the help of a global readout operation that simply aggregates all node (or node-cluster) representations, existing GNN classifiers obtain a graph-level representation of an input graph and predict its class label using the representation. However, such global aggregation does not consider the structural information of each node, which results in information loss on the global structure. In this work, we propose structural semantic readout (SSRead) to summarize the node representations at the position-level, which allows to model the position-specific weight parameters for classification as well as to effectively capture the graph semantic relevant to the global structure. Given an input graph, SSRead aims to identify structurally-meaningful positions by using the semantic alignment between its nodes and structural prototypes, which encode the prototypical features of each position. The structural prototypes are optimized to minimize the alignment cost for all training graphs, while the other GNN parameters are trained to predict the class labels. Our experimental results demonstrate that SSRead significantly improves the classification performance and interpretability of GNN classifiers while being compatible with a variety of aggregation functions, GNN architectures, and learning frameworks.

The goal of one-class collaborative filtering (OCCF) is to identify the user-item pairs that are positively-related but have not been interacted yet, where only a small portion of positive user-item interactions (e.g., users' implicit feedback) are observed. For discriminative modeling between positive and negative interactions, most previous work relied on negative sampling to some extent, which refers to considering unobserved user-item pairs as negative, as actual negative ones are unknown. However, the negative sampling scheme has critical limitations because it may choose "positive but unobserved" pairs as negative. This paper proposes a novel OCCF framework, named as BUIR, which does not require negative sampling. To make the representations of positively-related users and items similar to each other while avoiding a collapsed solution, BUIR adopts two distinct encoder networks that learn from each other; the first encoder is trained to predict the output of the second encoder as its target, while the second encoder provides the consistent targets by slowly approximating the first encoder. In addition, BUIR effectively alleviates the data sparsity issue of OCCF, by applying stochastic data augmentation to encoder inputs. Based on the neighborhood information of users and items, BUIR randomly generates the augmented views of each positive interaction each time it encodes, then further trains the model by this self-supervision. Our extensive experiments demonstrate that BUIR consistently and significantly outperforms all baseline methods by a large margin especially for much sparse datasets in which any assumptions about negative interactions are less valid.

Networks have been widely used to represent the relations between objects such as academic networks and social networks, and learning embedding for networks has thus garnered plenty of research attention. Self-supervised network representation learning aims at extracting node embedding without external supervision. Recently, maximizing the mutual information between the local node embedding and the global summary (e.g. Deep Graph Infomax, or DGI for short) has shown promising results on many downstream tasks such as node classification. However, there are two major limitations of DGI. Firstly, DGI merely considers the extrinsic supervision signal (i.e., the mutual information between node embedding and global summary) while ignores the intrinsic signal (i.e., the mutual dependence between node embedding and node attributes). Secondly, nodes in a real-world network are usually connected by multiple edges with different relations, while DGI does not fully explore the various relations among nodes. To address the above-mentioned problems, we propose a novel framework, called High-order Deep Multiplex Infomax (HDMI), for learning node embedding on multiplex networks in a self-supervised way. To be more specific, we first design a joint supervision signal containing both extrinsic and intrinsic mutual information by high-order mutual information, and we propose a High-order Deep Infomax (HDI) to optimize the proposed supervision signal. Then we propose an attention based fusion module to combine node embedding from different layers of the multiplex network. Finally, we evaluate the proposed HDMI on various downstream tasks such as unsupervised clustering and supervised classification. The experimental results show that HDMI achieves state-of-the-art performance on these tasks.

The key to successful recommendations is to provide users with items likely to be consumed in the future. From real-world data, we observe that users' consumption patterns for items change over time. For example, users may no longer like some items they liked in the past. However, existing recommender systems model user's preference to items without considering how much users' interests in each item will sustain in the future. Thus, they often recommend less interesting items in the deployment time (i.e., test time). In this work, we propose a novel recommender system, called CRIS, that considers the change of users' interest in each item over time. More precisely, we first predict the interest sustainability of each item, that is, how likely each item will be consumed in the future. Then, our goal is to make users closer to the items with high interest sustainability scores in the representation space than those with low interest sustainability scores. We perform experiments on 11 real-world datasets to show the effectiveness of CRIS. We also show that considering the interest sustainability is indeed crucial for boosting the accuracy of recommendations.

Network embedding is an influential graph mining technique for representing nodes in a graph as distributed vectors. However, the majority of network embedding methods focus on learning a single vector representation for each node, which has been recently criticized for not being capable of modeling multiple aspects of a node. To capture the multiple aspects of each node, existing studies mainly rely on offline graph clustering performed prior to the actual embedding, which results in the cluster membership of each node (i.e., node aspect distribution) fixed throughout training of the embedding model. We argue that this not only makes each node always have the same aspect distribution regardless of its dynamic context, but also hinders the end-to-end training of the model that eventually leads to the final embedding quality largely dependent on the clustering. In this paper, we propose a novel end-to-end framework for multi-aspect network embedding, called asp2vec, in which the aspects of each node are dynamically assigned based on its local context. More precisely, among multiple aspects, we dynamically assign a single aspect to each node based on its current context, and our aspect selection module is end-to-end differentiable via the Gumbel-Softmax trick. We also introduce the aspect regularization framework to capture the interactions among the multiple aspects in terms of relatedness and diversity. We further demonstrate that our proposed framework can be readily extended to heterogeneous networks. Extensive experiments towards various downstream tasks on various types of homogeneous networks and a heterogeneous network demonstrate the superiority of asp2vec.

The goal of network embedding is to transform nodes in a network to a low-dimensional embedding vectors. Recently, heterogeneous network has shown to be effective in representing diverse information in data. However, heterogeneous network embedding suffers from the imbalance issue, i.e. the size of relation types (or the number of edges in the network regarding the type) is imbalanced. In this paper, we devise a new heterogeneous network embedding method, called BHIN2vec, which considers the balance among all relation types in a network. We view the heterogeneous network embedding as simultaneously solving multiple tasks in which each task corresponds to each relation type in a network. After splitting the skip-gram loss into multiple losses corresponding to different tasks, we propose a novel random-walk strategy to focus on the tasks with high loss values by considering the relative training ratio. Unlike previous random walk strategies, our proposed random-walk strategy generates training samples according to the relative training ratio among different tasks, which results in a balanced training for the node embedding. Our extensive experiments on node classification and recommendation demonstrate the superiority of BHIN2vec compared to the state-of-the-art methods. Also, based on the relative training ratio, we analyze how much each relation type is represented in the embedding space.

Many real-world tasks solved by heterogeneous network embedding methods can be cast as modeling the likelihood of a pairwise relationship between two nodes. For example, the goal of author identification task is to model the likelihood of a paper being written by an author (paper-author pairwise relationship). Existing taskguided embedding methods are node-centric in that they simply measure the similarity between the node embeddings to compute the likelihood of a pairwise relationship between two nodes. However, we claim that for task-guided embeddings, it is crucial to focus on directly modeling the pairwise relationship. In this paper, we propose a novel task-guided pair embedding framework in heterogeneous network, called TaPEm, that directly models the relationship between a pair of nodes that are related to a specific task (e.g., paper-author relationship in author identification). To this end, we 1) propose to learn a pair embedding under the guidance of its associated context path, i.e., a sequence of nodes between the pair, and 2) devise the pair validity classifier to distinguish whether the pair is valid with respect to the specific task at hand. By introducing pair embeddings that capture the semantics behind the pairwise relationships, we are able to learn the fine-grained pairwise relationship between two nodes, which is paramount for task-guided embedding methods. Extensive experiments on author identification task demonstrate that TaPEm outperforms the state-of-the-art methods, especially for authors with few publication records.

Recently, matrix factorization-based recommendation methods have been criticized for the problem raised by the triangle inequality violation. Although several metric learning-based approaches have been proposed to overcome this issue, existing approaches typically project each user to a single point in the metric space, and thus do not suffice for properly modeling the intensity and the heterogeneity of user-item relationships in implicit feedback. In this paper, we propose TransCF to discover such latent user-item relationships embodied in implicit user-item interactions. Inspired by the translation mechanism popularized by knowledge graph embedding, we construct user-item specific translation vectors by employing the neighborhood information of users and items, and translate each user toward items according to the user's relationships with the items. Our proposed method outperforms several state-of-the-art methods for top-N recommendation on seven real-world data by up to 17% in terms of hit ratio. We also conduct extensive qualitative evaluations on the translation vectors learned by our proposed method to ascertain the benefit of adopting the translation mechanism for implicit feedback-based recommendations.

Existing review-aware recommendation methods represent users (or items) through the concatenation of the reviews written by (or for) them, and depend entirely on convolutional neural networks (CNNs) to extract meaningful features for modeling users (or items). However, understanding reviews based only on the raw words of reviews is challenging because of the inherent ambiguity contained in them originated from the users' different tendency in writing. Moreover, it is inefficient in time and memory to model users/items by the concatenation of their associated reviews owing to considerably large inputs to CNNs. In this work, we present a scalable review-aware recommendation method, called SentiRec, that is guided to incorporate the sentiments of reviews when modeling the users and the items. SentiRec is a two-step approach composed of the first step that includes the encoding of each review into a fixed-size review vector that is trained to embody the sentiment of the review, followed by the second step that generates recommendations based on the vector-encoded reviews. Through our experiments, we show that SentiRec not only outperforms the existing review-aware methods, but also drastically reduces the training time and the memory usage. We also conduct a qualitative evaluation on the vector-encoded reviews trained by SentiRec to demonstrate that the overall sentiments are indeed encoded therein.

For online product recommendation engines, learning high-quality product embedding that captures various aspects of the product is critical to improving the accuracy of user rating prediction. In recent research, in conjunction with user feedback, the appearance of a product as side information has been shown to be helpful for learning product embedding. However, since a product has a variety of aspects such as functionality and specifications, taking into account only its appearance as side information does not suffice to accurately learn its embedding. In this paper, we propose a matrix co-factorization method that leverages information hidden in the so-called "also-viewed" products, i.e., a list of products that has also been viewed by users who have viewed a target product. "Also-viewed" products reflect various aspects of a given product that have been overlooked by visually-aware recommendation methods proposed in past research. Experiments on multiple real-world datasets demonstrate that our proposed method outperforms state-of-the-art baselines in terms of user rating prediction. We also perform classification on the product embedding learned by our method, and compare it with a state-of-the-art baseline to demonstrate the superiority of our method in generating high-quality product embedding that better represents the product.

Sparseness of user-to-item rating data is one of the major factors that deteriorate the quality of recommender system. To handle the sparsity problem, several recommendation techniques have been proposed that additionally consider auxiliary information to improve rating prediction accuracy. In particular, when rating data is sparse, document modeling-based approaches have improved the accuracy by additionally utilizing textual data such as reviews, abstracts, or synopses. However, due to the inherent limitation of the bag-of-words model, they have difficulties in effectively utilizing contextual information of the documents, which leads to shallow understanding of the documents. This paper proposes a novel context-aware recommendation model, convolutional matrix factorization (ConvMF) that integrates convolutional neural network (CNN) into probabilistic matrix factorization (PMF). Consequently, ConvMF captures contextual information of documents and further enhances the rating prediction accuracy. Our extensive evaluations on three real-world datasets show that ConvMF significantly outperforms the state-of-the-art recommendation models even when the rating data is extremely sparse. We also demonstrate that ConvMF successfully captures subtle contextual difference of a word in a document. Our implementation and datasets are available at http://dm.postech.ac.kr/ConvMF.