arXiv subjects

Kijung Shin

Publications and source records attributed to Kijung Shin.

At least 37 records · Page 2Linked to original sources

arXiv2026

ReFuGe: Feature Generation for Prediction Tasks on Relational Databases with LLM Agents

Relational databases (RDBs) play a crucial role in many real-world web applications, supporting data management across multiple interconnected tables. Beyond typical retrieval-oriented tasks, prediction tasks on RDBs have recently gained attention. In this work, we address this problem by generating informative relational features that enhance predictive performance. However, generating such features is challenging: it requires reasoning over complex schemas and exploring a combinatorially large feature space, all without explicit supervision. To address these challenges, we propose ReFuGe, an agentic framework that leverages specialized large language model agents: (1) a schema selection agent identifies the tables and columns relevant to the task, (2) a feature generation agent produces diverse candidate features from the selected schema, and (3) a feature filtering agent evaluates and retains promising features through reasoning-based and validation-based filtering. It operates within an iterative feedback loop until performance converges. Experiments on RDB benchmarks demonstrate that ReFuGe substantially improves performance on various RDB prediction tasks. Our code and datasets are available at https://github.com/K-Kyungho/REFUGE.

cs.AI↗

arXiv2025

Feature-Centric Unsupervised Node Representation Learning Without Homophily Assumption

Unsupervised node representation learning aims to obtain meaningful node embeddings without relying on node labels. To achieve this, graph convolution, which aggregates information from neighboring nodes, is commonly employed to encode node features and graph topology. However, excessive reliance on graph convolution can be suboptimal-especially in non-homophilic graphs-since it may yield unduly similar embeddings for nodes that differ in their features or topological properties. As a result, adjusting the degree of graph convolution usage has been actively explored in supervised learning settings, whereas such approaches remain underexplored in unsupervised scenarios. To tackle this, we propose FUEL, which adaptively learns the adequate degree of graph convolution usage by aiming to enhance intra-class similarity and inter-class separability in the embedding space. Since classes are unknown, FUEL leverages node features to identify node clusters and treats these clusters as proxies for classes. Through extensive experiments using 15 baseline methods and 14 benchmark datasets, we demonstrate the effectiveness of FUEL in downstream tasks, achieving state-of-the-art performance across graphs with diverse levels of homophily.

cs.LG↗

arXiv2025

RDB2G-Bench: A Comprehensive Benchmark for Automatic Graph Modeling of Relational Databases

Recent advances have demonstrated the effectiveness of graph-based learning on relational databases (RDBs) for predictive tasks. Such approaches require transforming RDBs into graphs, a process we refer to as RDB-to-graph modeling, where rows of tables are represented as nodes and foreign-key relationships as edges. Yet, effective modeling of RDBs into graphs remains challenging. Specifically, there exist numerous ways to model RDBs into graphs, and performance on predictive tasks varies significantly depending on the chosen graph model of RDBs. In our analysis, we find that the best-performing graph model can yield up to a 10% higher performance compared to the common heuristic rule for graph modeling, which remains non-trivial to identify. To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods. We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph model-performance pairs for efficient and reproducible evaluations. Thanks to our precomputed datasets, we were able to benchmark 10 automatic RDB-to-graph modeling methods on the 12 tasks about 380x faster than on-the-fly evaluation, which requires repeated GNN training. Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling. Our datasets and code are available at https://github.com/chlehdwon/RDB2G-Bench.

cs.LG↗

arXiv2025

Learning to Flow from Generative Pretext Tasks for Neural Architecture Encoding

The performance of a deep learning model on a specific task and dataset depends heavily on its neural architecture, motivating considerable efforts to rapidly and accurately identify architectures suited to the target task and dataset. To achieve this, researchers use machine learning models-typically neural architecture encoders-to predict the performance of a neural architecture. Many state-of-the-art encoders aim to capture information flow within a neural architecture, which reflects how information moves through the forward pass and backpropagation, via a specialized model structure. However, due to their complicated structures, these flow-based encoders are significantly slower to process neural architectures compared to simpler encoders, presenting a notable practical challenge. To address this, we propose FGP, a novel pre-training method for neural architecture encoding that trains an encoder to capture the information flow without requiring specialized model structures. FGP trains an encoder to reconstruct a flow surrogate, our proposed representation of the neural architecture's information flow. Our experiments show that FGP boosts encoder performance by up to 106% in Precision-1%, compared to the same encoder trained solely with supervised learning.

cs.LG↗

arXiv2025

HyperSearch: Prediction of New Hyperedges through Unconstrained yet Efficient Search

Higher-order interactions (HOIs) in complex systems, such as scientific collaborations, multi-protein complexes, and multi-user communications, are commonly modeled as hypergraphs, where each hyperedge (i.e., a subset of nodes) represents an HOI among the nodes. Given a hypergraph, hyperedge prediction aims to identify hyperedges that are either missing or likely to form in the future, and it has broad applications, including recommending interest-based social groups, predicting collaborations, and uncovering functional complexes in biological systems. However, the vast search space of hyperedge candidates (i.e., all possible subsets of nodes) poses a significant computational challenge, making naive exhaustive search infeasible. As a result, existing approaches rely on either heuristic sampling to obtain constrained candidate sets or ungrounded assumptions on hypergraph structure to select promising hyperedges. In this work, we propose HyperSearch, a search-based algorithm for hyperedge prediction that efficiently evaluates unconstrained candidate sets, by incorporating two key components: (1) an empirically grounded scoring function derived from observations in real-world hypergraphs and (2) an efficient search mechanism, where we derive and use an anti-monotonic upper bound of the original scoring function (which is not antimonotonic) to prune the search space. This pruning comes with theoretical guarantees, ensuring that discarded candidates are never better than the kept ones w.r.t. the original scoring function. In extensive experiments on 10 real-world hypergraphs across five domains, HyperSearch consistently outperforms state-of-the-art baselines, achieving higher accuracy in predicting new (i.e., not in the training set) hyperedges.

cs.SI↗

arXiv2025

Identifying Group Anchors in Real-World Group Interactions Under Label Scarcity

Group interactions occur in various real-world contexts, e.g., co-authorship, email communication, and online Q&A. In each group, there is often a particularly significant member, around whom the group is formed. Examples include the first or last author of a paper, the sender of an email, and the questioner in a Q&A session. In this work, we discuss the existence of such individuals in real-world group interactions. We call such individuals group anchors and study the problem of identifying them. First, we introduce the concept of group anchors and the identification problem. Then, we discuss our observations on group anchors in real-world group interactions. Based on our observations, we develop AnchorRadar, a fast and effective method for group anchor identification under realistic settings with label scarcity, i.e., when only a few groups have known anchors. AnchorRadar is a semi-supervised method using information from groups both with and without known group anchors. Finally, through extensive experiments on thirteen real-world datasets, we demonstrate the empirical superiority of AnchorRadar over various baselines w.r.t. accuracy and efficiency. In most cases, AnchorRadar achieves higher accuracy in group anchor identification than all the baselines, while using 10.2$\times$ less training time than the fastest baseline and 43.6$\times$ fewer learnable parameters than the most lightweight baseline on average.

cs.SI↗

arXiv2025

Attributed Hypergraph Generation with Realistic Interplay Between Structure and Attributes

In many real-world scenarios, interactions happen in a group-wise manner with multiple entities, and therefore, hypergraphs are a suitable tool to accurately represent such interactions. Hyperedges in real-world hypergraphs are not composed of randomly selected nodes but are instead formed through structured processes. Consequently, various hypergraph generative models have been proposed to explore fundamental mechanisms underlying hyperedge formation. However, most existing hypergraph generative models do not account for node attributes, which can play a significant role in hyperedge formation. As a result, these models fail to reflect the interactions between structure and node attributes. To address the issue above, we propose NoAH, a stochastic hypergraph generative model for attributed hypergraphs. NoAH utilizes the core-fringe node hierarchy to model hyperedge formation as a series of node attachments and determines attachment probabilities based on node attributes. We further introduce NoAHFit, a parameter learning procedure that allows NoAH to replicate a given real-world hypergraph. Through experiments on nine datasets across four different domains, we show that NoAH with NoAHFit more accurately reproduces the structure-attribute interplay observed in the real-world hypergraphs than eight baseline hypergraph generative models, in terms of six metrics.

cs.SI↗

arXiv2025

Edge Probability Graph Models Beyond Edge Independency: Concepts, Analyses, and Algorithms

Desirable random graph models (RGMs) should (i) reproduce common patterns in real-world graphs (e.g., power-law degrees, small diameters, and high clustering), (ii) generate variable (i.e., not overly similar) graphs, and (iii) remain tractable to compute and control graph statistics. A common class of RGMs (e.g., Erdos-Renyi and stochastic Kronecker) outputs edge probabilities, so we need to realize (i.e., sample from) the output edge probabilities to generate graphs. Typically, the existence of each edge is assumed to be determined independently, for simplicity and tractability. However, with edge independency, RGMs provably cannot produce high subgraph densities and high output variability simultaneously. In this work, we explore RGMs beyond edge independence that can better reproduce common patterns while maintaining high tractability and variability. Theoretically, we propose an edge-dependent realization (i.e., sampling) framework called binding that provably preserves output variability, and derive closed-form tractability results on subgraph (e.g., triangle) densities. Practically, we propose algorithms for graph generation with binding and parameter fitting of binding. Our empirical results demonstrate that RGMs with binding exhibit high tractability and well reproduce common patterns, significantly improving upon edge-independent RGMs.

cs.LG↗

arXiv2025

'Hello, World!': Making GNNs Talk with LLMs

While graph neural networks (GNNs) have shown remarkable performance across diverse graph-related tasks, their high-dimensional hidden representations render them black boxes. In this work, we propose Graph Lingual Network (GLN), a GNN built on large language models (LLMs), with hidden representations in the form of human-readable text. Through careful prompt design, GLN incorporates not only the message passing module of GNNs but also advanced GNN techniques, including graph attention and initial residual connection. The comprehensibility of GLN's hidden representations enables an intuitive analysis of how node representations change (1) across layers and (2) under advanced GNN techniques, shedding light on the inner workings of GNNs. Furthermore, we demonstrate that GLN achieves strong zero-shot performance on node classification and link prediction, outperforming existing LLM-based baseline methods.

cs.LG↗

arXiv2025

A Self-Supervised Mixture-of-Experts Framework for Multi-behavior Recommendation

In e-commerce, where users face a vast array of possible item choices, recommender systems are vital for helping them discover suitable items they might otherwise overlook. While many recommender systems primarily rely on a user's purchase history, recent multi-behavior recommender systems incorporate various auxiliary user behaviors, such as item clicks and cart additions, to enhance recommendations. Despite their overall performance gains, their effectiveness varies considerably between visited items (i.e., those a user has interacted with through auxiliary behaviors) and unvisited items (i.e., those with which the user has had no such interactions). Specifically, our analysis reveals that (1) existing multi-behavior recommender systems exhibit a significant gap in recommendation quality between the two item types (visited and unvisited items) and (2) achieving strong performance on both types with a single model architecture remains challenging. To tackle these issues, we propose a novel multi-behavior recommender system, MEMBER. It employs a mixture-of-experts framework, with experts designed to recommend the two item types, respectively. Each expert is trained using a self-supervised method specialized for its design goal. In our comprehensive experiments, we show the effectiveness of MEMBER across both item types, achieving up to 65.46% performance gain over the best competitor in terms of Hit Ratio@20.

cs.IR↗

arXiv2025

RL4CO: an Extensive Reinforcement Learning for Combinatorial Optimization Benchmark

Combinatorial optimization (CO) is fundamental to several real-world applications, from logistics and scheduling to hardware design and resource allocation. Deep reinforcement learning (RL) has recently shown significant benefits in solving CO problems, reducing reliance on domain expertise and improving computational efficiency. However, the absence of a unified benchmarking framework leads to inconsistent evaluations, limits reproducibility, and increases engineering overhead, raising barriers to adoption for new researchers. To address these challenges, we introduce RL4CO, a unified and extensive benchmark with in-depth library coverage of 27 CO problem environments and 23 state-of-the-art baselines. Built on efficient software libraries and best practices in implementation, RL4CO features modularized implementation and flexible configurations of diverse environments, policy architectures, RL algorithms, and utilities with extensive documentation. RL4CO helps researchers build on existing successes while exploring and developing their own designs, facilitating the entire research process by decoupling science from heavy engineering. We finally provide extensive benchmark studies to inspire new insights and future work. RL4CO has already attracted numerous researchers in the community and is open-sourced at https://github.com/ai4co/rl4co.

cs.LG↗

arXiv2025

On Training-Test (Mis)alignment in Unsupervised Combinatorial Optimization: Observation, Empirical Exploration, and Analysis

In unsupervised combinatorial optimization (UCO), during training, one aims to have continuous decisions that are promising in a probabilistic sense for each training instance, which enables end-to-end training on initially discrete and non-differentiable problems. At the test time, for each test instance, starting from continuous decisions, derandomization is typically applied to obtain the final deterministic decisions. Researchers have developed more and more powerful test-time derandomization schemes to enhance the empirical performance and the theoretical guarantee of UCO methods. However, we notice a misalignment between training and testing in the existing UCO methods. Consequently, lower training losses do not necessarily entail better post-derandomization performance, even for the training instances without any data distribution shift. Empirically, we indeed observe such undesirable cases. We explore a preliminary idea to better align training and testing in UCO by including a differentiable version of derandomization into training. Our empirical exploration shows that such an idea indeed improves training-test alignment, but also introduces nontrivial challenges into training.

cs.LG↗

arXiv2025

PyTorch-based Geometric Learning with Non-CUDA Processing Units: Experiences from Intel Gaudi-v2 HPUs

Geometric learning has emerged as a powerful paradigm for modeling non-Euclidean data, especially graph-structured ones, with applications spanning social networks, molecular structures, knowledge graphs, and recommender systems. While Nvidia's CUDA-enabled graphics processing units (GPUs) largely dominate the hardware landscape, emerging accelerators such as Intel's Gaudi Habana Processing Units (HPUs) offer competitive performance and energy efficiency. However, the usage of such non-CUDA processing units requires significant engineering effort and novel software adaptations. In this work, we present our experiences porting PyTorch-based geometric learning frameworks to Gaudi-v2 HPUs. We introduce a collection of core utilities that restore essential operations (e.g., scatter, sparse indexing, k-nearest neighbors) on Gaudi-v2 HPUs, and we consolidate sixteen guided tutorials and eleven real-world examples with diagnostic analyses of encountered failures and detailed workarounds. We collect all our experiences into a publicly accessible GitHub repository. Our contributions lower the barrier for researchers to experiment with geometric-learning algorithms and models on non-CUDA hardware, providing a foundation for further optimization and cross-platform portability.

cs.LG↗

arXiv2025

Mitigating Over-Squashing in Graph Neural Networks by Spectrum-Preserving Sparsification

The message-passing paradigm of Graph Neural Networks often struggles with exchanging information across distant nodes typically due to structural bottlenecks in certain graph regions, a limitation known as \textit{over-squashing}. To reduce such bottlenecks, \textit{graph rewiring}, which modifies graph topology, has been widely used. However, existing graph rewiring techniques often overlook the need to preserve critical properties of the original graph, e.g., \textit{spectral properties}. Moreover, many approaches rely on increasing edge count to improve connectivity, which introduces significant computational overhead and exacerbates the risk of over-smoothing. In this paper, we propose a novel graph rewiring method that leverages \textit{spectrum-preserving} graph \textit{sparsification}, for mitigating over-squashing. Our method generates graphs with enhanced connectivity while maintaining sparsity and largely preserving the original graph spectrum, effectively balancing structural bottleneck reduction and graph property preservation. Experimental results validate the effectiveness of our approach, demonstrating its superiority over strong baseline methods in classification accuracy and retention of the Laplacian spectrum.

cs.LG↗

arXiv2025

MARIOH: Multiplicity-Aware Hypergraph Reconstruction

Hypergraphs offer a powerful framework for modeling higher-order interactions that traditional pairwise graphs cannot fully capture. However, practical constraints often lead to their simplification into projected graphs, resulting in substantial information loss and ambiguity in representing higher-order relationships. In this work, we propose MARIOH, a supervised approach for reconstructing the original hypergraph from its projected graph by leveraging edge multiplicity. To overcome the difficulties posed by the large search space, MARIOH integrates several key ideas: (a) identifying provable size-2 hyperedges, which reduces the candidate search space, (b) predicting the likelihood of candidates being hyperedges by utilizing both structural and multiplicity-related features, and (c) not only targeting promising hyperedge candidates but also examining less confident ones to explore alternative possibilities. Together, these ideas enable MARIOH to efficiently and effectively explore the search space. In our experiments using 10 real-world datasets, MARIOH achieves up to 74.51% higher reconstruction accuracy compared to state-of-the-art methods.

cs.DB↗

arXiv2025

KGMEL: Knowledge Graph-Enhanced Multimodal Entity Linking

Entity linking (EL) aligns textual mentions with their corresponding entities in a knowledge base, facilitating various applications such as semantic search and question answering. Recent advances in multimodal entity linking (MEL) have shown that combining text and images can reduce ambiguity and improve alignment accuracy. However, most existing MEL methods overlook the rich structural information available in the form of knowledge-graph (KG) triples. In this paper, we propose KGMEL, a novel framework that leverages KG triples to enhance MEL. Specifically, it operates in three stages: (1) Generation: Produces high-quality triples for each mention by employing vision-language models based on its text and images. (2) Retrieval: Learns joint mention-entity representations, via contrastive learning, that integrate text, images, and (generated or KG) triples to retrieve candidate entities for each mention. (3) Reranking: Refines the KG triples of the candidate entities and employs large language models to identify the best-matching entity for the mention. Extensive experiments on benchmark datasets demonstrate that KGMEL outperforms existing methods. Our code and datasets are available at: https://github.com/juyeonnn/KGMEL.

cs.IR↗

arXiv2025

Simple yet Effective Node Property Prediction on Edge Streams under Distribution Shifts

The problem of predicting node properties (e.g., node classes) in graphs has received significant attention due to its broad range of applications. Graphs from real-world datasets often evolve over time, with newly emerging edges and dynamically changing node properties, posing a significant challenge for this problem. In response, temporal graph neural networks (TGNNs) have been developed to predict dynamic node properties from a stream of emerging edges. However, our analysis reveals that most TGNN-based methods are (a) far less effective without proper node features and, due to their complex model architectures, (b) vulnerable to distribution shifts. In this paper, we propose SPLASH, a simple yet powerful method for predicting node properties on edge streams under distribution shifts. Our key contributions are as follows: (1) we propose feature augmentation methods and an automatic feature selection method for edge streams, which improve the effectiveness of TGNNs, (2) we propose a lightweight MLP-based TGNN architecture that is highly efficient and robust under distribution shifts, and (3) we conduct extensive experiments to evaluate the accuracy, efficiency, generalization, and qualitative performance of the proposed method and its competitors on dynamic node classification, dynamic anomaly detection, and node affinity prediction tasks across seven real-world datasets.

cs.LG↗

arXiv2025

TiGer: Self-Supervised Purification for Time-evolving Graphs

Time-evolving graphs, such as social and citation networks, often contain noise that distorts structural and temporal patterns, adversely affecting downstream tasks, such as node classification. Existing purification methods focus on static graphs, limiting their ability to account for critical temporal dependencies in dynamic graphs. In this work, we propose TiGer (Time-evolving Graph purifier), a self-supervised method explicitly designed for time-evolving graphs. TiGer assigns two different sub-scores to edges using (1) self-attention for capturing long-term contextual patterns shaped by both adjacent and distant past events of varying significance and (2) statistical distance measures for detecting inconsistency over a short-term period. These sub-scores are used to identify and filter out suspicious (i.e., noise-like) edges through an ensemble strategy, ensuring robustness without requiring noise labels. Our experiments on five real-world datasets show TiGer filters out noise with up to 10.2% higher accuracy and improves node classification performance by up to 5.3%, compared to state-of-the-art methods.

cs.LG↗