Routine clinical visits of a patient produce not only image data, but also non-image data containing clinical information regarding the patient, i.e., medical data is multi-modal in nature. Such heterogeneous modalities offer different and complementary perspectives on the same patient, resulting in more accurate clinical decisions when they are properly combined. However, despite its significance, how to effectively fuse the multi-modal medical data into a unified framework has received relatively little attention. In this paper, we propose an effective graph-based framework called HetMed (Heterogeneous Graph Learning for Multi-modal Medical Data Analysis) for fusing the multi-modal medical data. Specifically, we construct a multiplex network that incorporates multiple types of non-image features of patients to capture the complex relationship between patients in a systematic way, which leads to more accurate clinical decisions. Extensive experiments on various real-world datasets demonstrate the superiority and practicality of HetMed. The source code for HetMed is available at https://github.com/Sein-Kim/Multimodal-Medical.
Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.
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.
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. The source code for GraFN is available at https://github.com/Junseok0207/GraFN.
The density of states (DOS) is a spectral property of materials, which provides fundamental insights on various characteristics of materials. In this paper, we propose a model to predict the DOS by reflecting the nature of DOS: DOS determines the general distribution of states as a function of energy. Specifically, we integrate the heterogeneous information obtained from the crystal structure and the energies via multi-modal transformer, thereby modeling the complex relationships between the atoms in the crystal structure, and various energy levels. Extensive experiments on two types of DOS, i.e., Phonon DOS and Electron DOS, with various real-world scenarios demonstrate the superiority of DOSTransformer. The source code for DOSTransformer is available at https://github.com/HeewoongNoh/DOSTransformer.
The density of states (DOS) is a spectral property of crystalline materials, which provides fundamental insights into various characteristics of the materials. While previous works mainly focus on obtaining high-quality representations of crystalline materials for DOS prediction, we focus on predicting the DOS from the obtained representations by reflecting the nature of DOS: DOS determines the general distribution of states as a function of energy. That is, DOS is not solely determined by the crystalline material but also by the energy levels, which has been neglected in previous works. In this paper, we propose to integrate heterogeneous information obtained from the crystalline materials and the energies via a multi-modal transformer, thereby modeling the complex relationships between the atoms in the crystalline materials and various energy levels for DOS prediction. Moreover, we propose to utilize prompts to guide the model to learn the crystal structural system-specific interactions between crystalline materials and energies. Extensive experiments on two types of DOS, i.e., Phonon DOS and Electron DOS, with various real-world scenarios demonstrate the superiority of DOSTransformer. The source code for DOSTransformer is available at https://github.com/HeewoongNoh/DOSTransformer.
Sentence summarization shortens given texts while maintaining core contents of the texts. Unsupervised approaches have been studied to summarize texts without human-written summaries. However, recent unsupervised models are extractive, which remove words from texts and thus they are less flexible than abstractive summarization. In this work, we devise an abstractive model based on reinforcement learning without ground-truth summaries. We formulate the unsupervised summarization based on the Markov decision process with rewards representing the summary quality. To further enhance the summary quality, we develop a multi-summary learning mechanism that generates multiple summaries with varying lengths for a given text, while making the summaries mutually enhance each other. Experimental results show that the proposed model substantially outperforms both abstractive and extractive models, yet frequently generating new words not contained in input texts.
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.
Identifying outlier documents, whose content is different from the majority of the documents in a corpus, has played an important role to manage a large text collection. However, due to the absence of explicit information about the inlier (or target) distribution, existing unsupervised outlier detectors are likely to make unreliable results depending on the density or diversity of the outliers in the corpus. To address this challenge, we introduce a new task referred to as out-of-category detection, which aims to distinguish the documents according to their semantic relevance to the inlier (or target) categories by using the category names as weak supervision. In practice, this task can be widely applicable in that it can flexibly designate the scope of target categories according to users' interests while requiring only the target-category names as minimum guidance. In this paper, we present an out-of-category detection framework, which effectively measures how confidently each document belongs to one of the target categories based on its category-specific relevance score. Our framework adopts a two-step approach; (i) it first generates the pseudo-category label of all unlabeled documents by exploiting the word-document similarity encoded in a text embedding space, then (ii) it trains a neural classifier by using the pseudo-labels in order to compute the confidence from its target-category prediction. The experiments on real-world datasets demonstrate that our framework achieves the best detection performance among all baseline methods in various scenarios specifying different target categories.