Wonbin Kweon

Joey Chan, Wonbin Kweon, Ashley Shin et al.

Large language models (LLMs) have shown promise for molecular property prediction, but their ability to reason over chemical structures remains limited, as molecular representations such as SMILES differ substantially from the natural language on which LLMs are primarily trained. To bridge this semantic and chemical knowledge gap, we propose MolE-RAG, a training-free, molecule-centric retrieval-augmented generation framework for LLM-based molecular property prediction. MolE-RAG augments each prediction with three complementary sources of inference-time context: retrieved chemistry literature, molecule-specific information including compound synonyms, identifiers, functional group annotations, and physicochemical descriptors, and structurally similar molecules retrieved from the training set. We evaluate MolE-RAG across nine molecular property prediction tasks using proprietary, chemistry-specialized, and open-source LLMs. Across general-purpose LLMs, MolE-RAG improves ROC-AUC by up to 28 percentage points on classification tasks and reduces regression RMSE by up to 67% relative to a SMILES-only baseline. We further find that the utility of each context source varies across models and tasks, with different models benefiting most from textual retrieval, molecular context, or structural retrieval. These results suggest that molecule-centric retrieval can improve LLM-based molecular property prediction without model fine-tuning while providing a flexible framework for integrating heterogeneous chemical knowledge at inference time.

SeongKu Kang, Wonbin Kweon, Dongha Lee et al.

Recent recommender systems have shown remarkable performance by using an ensemble of heterogeneous models. However, it is exceedingly costly because it requires resources and inference latency proportional to the number of models, which remains the bottleneck for production. Our work aims to transfer the ensemble knowledge of heterogeneous teachers to a lightweight student model using knowledge distillation (KD), to reduce the huge inference costs while retaining high accuracy. Through an empirical study, we find that the efficacy of distillation severely drops when transferring knowledge from heterogeneous teachers. Nevertheless, we show that an important signal to ease the difficulty can be obtained from the teacher's training trajectory. This paper proposes a new KD framework, named HetComp, that guides the student model by transferring easy-to-hard sequences of knowledge generated from the teachers' trajectories. To provide guidance according to the student's learning state, HetComp uses dynamic knowledge construction to provide progressively difficult ranking knowledge and adaptive knowledge transfer to gradually transfer finer-grained ranking information. Our comprehensive experiments show that HetComp significantly improves the distillation quality and the generalization of the student model.

Gyuseok Lee, Wonbin Kweon, Zhenrui Yue et al.

Large language models (LLMs) have enhanced conventional recommendation models via user profiling, which generates representative textual profiles from users' historical interactions. However, their direct application to session-based recommendation (SBR) remains challenging due to severe session context scarcity and poor scalability. In this paper, we propose SPRINT, a scalable SBR framework that incorporates reliable and informative intents while ensuring high efficiency in both training and inference. SPRINT constrains LLM-based profiling with a global intent pool and validates inferred intents based on recommendation performance to mitigate noise and hallucinations under limited context. To ensure scalability, LLMs are selectively invoked only for uncertain sessions during training, while a lightweight intent predictor generalizes intent prediction to all sessions without LLM dependency at inference time. Experiments on real-world datasets show that SPRINT consistently outperforms state-of-the-art methods while providing more explainable recommendations.

Jeyun Lee, Junhyoung Lee, Wonbin Kweon et al.

Adapting general-domain retrievers to scientific domains is challenging due to the scarcity of large-scale domain-specific relevance annotations and the substantial mismatch in vocabulary and information needs. Recent approaches address these issues through two independent directions that leverage large language models (LLMs): (1) generating synthetic queries for fine-tuning, and (2) generating auxiliary contexts to support relevance matching. However, both directions overlook the diverse academic concepts embedded within scientific documents, often producing redundant or conceptually narrow queries and contexts. To address this limitation, we introduce an academic concept index, which extracts key concepts from papers and organizes them guided by an academic taxonomy. This structured index serves as a foundation for improving both directions. First, we enhance the synthetic query generation with concept coverage-based generation (CCQGen), which adaptively conditions LLMs on uncovered concepts to generate complementary queries with broader concept coverage. Second, we strengthen the context augmentation with concept-focused auxiliary contexts (CCExpand), which leverages a set of document snippets that serve as concise responses to the concept-aware CCQGen queries. Extensive experiments show that incorporating the academic concept index into both query generation and context augmentation leads to higher-quality queries, better conceptual alignment, and improved retrieval performance.

Wonbin Kweon, Sanghwan Jang, SeongKu Kang et al.

Despite the widespread adoption of large language models (LLMs) for recommendation, we demonstrate that LLMs often exhibit uncertainty in their recommendations. To ensure the trustworthy use of LLMs in generating recommendations, we emphasize the importance of assessing the reliability of recommendations generated by LLMs. We start by introducing a novel framework for estimating the predictive uncertainty to quantitatively measure the reliability of LLM-based recommendations. We further propose to decompose the predictive uncertainty into recommendation uncertainty and prompt uncertainty, enabling in-depth analyses of the primary source of uncertainty. Through extensive experiments, we (1) demonstrate predictive uncertainty effectively indicates the reliability of LLM-based recommendations, (2) investigate the origins of uncertainty with decomposed uncertainty measures, and (3) propose uncertainty-aware prompting for a lower predictive uncertainty and enhanced recommendation. Our source code and model weights are available at https://github.com/WonbinKweon/UNC_LLM_REC_WWW2025

Seungha Hong, Sanghwan Jang, Wonbin Kweon et al.

Time Series forecasting (TSF) in the modern era faces significant computational and storage cost challenges due to the massive scale of real-world data. Dataset Distillation (DD), a paradigm that synthesizes a small, compact dataset to achieve training performance comparable to that of the original dataset, has emerged as a promising solution. However, conventional DD methods are not tailored for time series and suffer from architectural overfitting and limited scalability. To address these issues, we propose Harmonic Dataset Distillation for Time Series Forecasting (HDT). HDT decomposes the time series into its sinusoidal basis through the FFT and aligns the core periodic structure by Harmonic Matching. Since this process operates in the frequency domain, all updates during distillation are applied globally without disrupting temporal dependencies of time series. Extensive experiments demonstrate that HDT achieves strong cross-architecture generalization and scalability, validating its practicality for large-scale, real-world applications.

SeongKu Kang, Jianxun Lian, Dongha Lee et al.

Recommender systems suffer from biases that cause the collected feedback to incompletely reveal user preference. While debiasing learning has been extensively studied, they mostly focused on the specialized (called counterfactual) test environment simulated by random exposure of items, significantly degrading accuracy in the typical (called factual) test environment based on actual user-item interactions. In fact, each test environment highlights the benefit of a different aspect: the counterfactual test emphasizes user satisfaction in the long-terms, while the factual test focuses on predicting subsequent user behaviors on platforms. Therefore, it is desirable to have a model that performs well on both tests rather than only one. In this work, we introduce a new learning framework, called Bias-adaptive Preference distillation Learning (BPL), to gradually uncover user preferences with dual distillation strategies. These distillation strategies are designed to drive high performance in both factual and counterfactual test environments. Employing a specialized form of teacher-student distillation from a biased model, BPL retains accurate preference knowledge aligned with the collected feedback, leading to high performance in the factual test. Furthermore, through self-distillation with reliability filtering, BPL iteratively refines its knowledge throughout the training process. This enables the model to produce more accurate predictions across a broader range of user-item combinations, thereby improving performance in the counterfactual test. Comprehensive experiments validate the effectiveness of BPL in both factual and counterfactual tests. Our implementation is accessible via: https://github.com/SeongKu-Kang/BPL.

Wonbin Kweon, SeongKu Kang, Runchu Tian et al.

The effectiveness of in-context learning relies heavily on selecting demonstrations that provide all the necessary information for a given test input. To achieve this, it is crucial to identify and cover fine-grained knowledge requirements. However, prior methods often retrieve demonstrations based solely on embedding similarity or generation probability, resulting in irrelevant or redundant examples. In this paper, we propose TopicK, a topic coverage-based retrieval framework that selects demonstrations to comprehensively cover topic-level knowledge relevant to both the test input and the model. Specifically, TopicK estimates the topics required by the input and assesses the model's knowledge on those topics. TopicK then iteratively selects demonstrations that introduce previously uncovered required topics, in which the model exhibits low topical knowledge. We validate the effectiveness of TopicK through extensive experiments across various datasets and both open- and closed-source LLMs. Our source code is available at https://github.com/WonbinKweon/TopicK_EMNLP2025.

Wonbin Kweon, Hwanjo Yu

Recommender systems often suffer from selection bias as users tend to rate their preferred items. The datasets collected under such conditions exhibit entries missing not at random and thus are not randomized-controlled trials representing the target population. To address this challenge, a doubly robust estimator and its enhanced variants have been proposed as they ensure unbiasedness when accurate imputed errors or predicted propensities are provided. However, we argue that existing estimators rely on miscalibrated imputed errors and propensity scores as they depend on rudimentary models for estimation. We provide theoretical insights into how miscalibrated imputation and propensity models may limit the effectiveness of doubly robust estimators and validate our theorems using real-world datasets. On this basis, we propose a Doubly Calibrated Estimator that involves the calibration of both the imputation and propensity models. To achieve this, we introduce calibration experts that consider different logit distributions across users. Moreover, we devise a tri-level joint learning framework, allowing the simultaneous optimization of calibration experts alongside prediction and imputation models. Through extensive experiments on real-world datasets, we demonstrate the superiority of the Doubly Calibrated Estimator in the context of debiased recommendation tasks.

SeongKu Kang, Bowen Jin, Wonbin Kweon et al.

In specialized fields like the scientific domain, constructing large-scale human-annotated datasets poses a significant challenge due to the need for domain expertise. Recent methods have employed large language models to generate synthetic queries, which serve as proxies for actual user queries. However, they lack control over the content generated, often resulting in incomplete coverage of academic concepts in documents. We introduce Concept Coverage-based Query set Generation (CCQGen) framework, designed to generate a set of queries with comprehensive coverage of the document's concepts. A key distinction of CCQGen is that it adaptively adjusts the generation process based on the previously generated queries. We identify concepts not sufficiently covered by previous queries, and leverage them as conditions for subsequent query generation. This approach guides each new query to complement the previous ones, aiding in a thorough understanding of the document. Extensive experiments demonstrate that CCQGen significantly enhances query quality and retrieval performance.

Joonwon Jang, Jaehee Kim, Wonbin Kweon et al.

Large Language Models (LLMs) rely on generating extensive intermediate reasoning units (e.g., tokens, sentences) to enhance final answer quality across a wide range of complex tasks. While this approach has proven effective, it inevitably increases substantial inference costs. Previous methods adopting token-level reduction without clear criteria result in poor performance compared to models trained with complete rationale. To address this challenge, we propose a novel sentence-level rationale reduction framework leveraging likelihood-based criteria, verbosity, to identify and remove redundant reasoning sentences. Unlike previous approaches, our method leverages verbosity to selectively remove redundant reasoning sentences while preserving reasoning capabilities. Our experimental results across various reasoning tasks demonstrate that our method improves performance by an average of 7.71% while reducing token generation by 19.87% compared to model trained with complete reasoning paths.

Gyuseok Lee, Wonbin Kweon, Zhenrui Yue et al.

Reward factorization personalizes large language models (LLMs) by decomposing rewards into shared basis functions and user-specific weights. Yet, existing methods estimate user weights from scarce data in isolation and as deterministic points, leading to inaccurate and unreliable inference. We introduce Variational Reward Factorization (VRF), an uncertainty-aware framework that represents each user's preferences as a variational distribution in a shared preference space. VRF infers user distributions via a variational encoder, derives weights through Wasserstein distance matching with shared probabilistic bases, and downweights uncertain estimates through a variance-attenuated loss. On three benchmarks, VRF outperforms all baselines across seen and unseen users, few-shot scenarios, and varying uncertainty levels, with gains extending to downstream alignment.

Jash Rajesh Parekh, Wonbin Kweon, Joey Chan et al.

Current biomedical question answering (QA) systems often assume that medical knowledge applies uniformly, yet real-world clinical reasoning is inherently conditional: nearly every decision depends on patient-specific factors such as comorbidities and contraindications. Existing benchmarks do not evaluate such conditional reasoning, and retrieval-augmented or graph-based methods lack explicit mechanisms to ensure that retrieved knowledge is applicable to given context. To address this gap, we propose CondMedQA, the first benchmark for conditional biomedical QA, consisting of multi-hop questions whose answers vary with patient conditions. Furthermore, we propose Condition-Gated Reasoning (CGR), a novel framework that constructs condition-aware knowledge graphs and selectively activates or prunes reasoning paths based on query conditions. Our findings show that CGR more reliably selects condition-appropriate answers while matching or exceeding state-of-the-art performance on biomedical QA benchmarks, highlighting the importance of explicitly modeling conditionality for robust medical reasoning.

Namu Kim, Wonbin Kweon, Minsoo Kim et al.

We observe that zero-shot appearance transfer with large-scale image generation models faces a significant challenge: Attention Leakage. This challenge arises when the semantic mapping between two images is captured by the Query-Key alignment. To tackle this issue, we introduce Q-Align, utilizing Query-Query alignment to mitigate attention leakage and improve the semantic alignment in zero-shot appearance transfer. Q-Align incorporates three core contributions: (1) Query-Query alignment, facilitating the sophisticated spatial semantic mapping between two images; (2) Key-Value rearrangement, enhancing feature correspondence through realignment; and (3) Attention refinement using rearranged keys and values to maintain semantic consistency. We validate the effectiveness of Q-Align through extensive experiments and analysis, and Q-Align outperforms state-of-the-art methods in appearance fidelity while maintaining competitive structure preservation.

Jaehyung Lim, Wonbin Kweon, Woojoo Kim et al.

The increasing emphasis on privacy in recommendation systems has led to the adoption of Federated Learning (FL) as a privacy-preserving solution, enabling collaborative training without sharing user data. While Federated Recommendation (FedRec) effectively protects privacy, existing methods struggle with non-stationary data streams, failing to maintain consistent recommendation quality over time. On the other hand, Continual Learning Recommendation (CLRec) methods address evolving user preferences but typically assume centralized data access, making them incompatible with FL constraints. To bridge this gap, we introduce Federated Continual Recommendation (FCRec), a novel task that integrates FedRec and CLRec, requiring models to learn from streaming data while preserving privacy. As a solution, we propose F3CRec, a framework designed to balance knowledge retention and adaptation under the strict constraints of FCRec. F3CRec introduces two key components: Adaptive Replay Memory on the client side, which selectively retains past preferences based on user-specific shifts, and Item-wise Temporal Mean on the server side, which integrates new knowledge while preserving prior information. Extensive experiments demonstrate that F3CRec outperforms existing approaches in maintaining recommendation quality over time in a federated environment.

Joonwon Jang, Sanghwan Jang, Wonbin Kweon et al.

Large language models (LLMs) are able to solve various tasks with only a few demonstrations utilizing their in-context learning (ICL) abilities. However, LLMs often rely on their pre-trained semantic priors of demonstrations rather than on the input-label relationships to proceed with ICL prediction. In this work, we term this phenomenon as the 'Demonstration Shortcut'. While previous works have primarily focused on improving ICL prediction results for predefined tasks, we aim to rectify the Demonstration Shortcut, thereby enabling the LLM to effectively learn new input-label relationships from demonstrations. To achieve this, we introduce In-Context Calibration, a demonstration-aware calibration method. We evaluate the effectiveness of the proposed method in two settings: (1) the Original ICL Task using the standard label space and (2) the Task Learning setting, where the label space is replaced with semantically unrelated tokens. In both settings, In-Context Calibration demonstrates substantial improvements, with results generalized across three LLM families (OPT, GPT, and Llama2) under various configurations.

SeongKu Kang, Dongha Lee, Wonbin Kweon et al.

Over the past decades, for One-Class Collaborative Filtering (OCCF), many learning objectives have been researched based on a variety of underlying probabilistic models. From our analysis, we observe that models trained with different OCCF objectives capture distinct aspects of user-item relationships, which in turn produces complementary recommendations. This paper proposes a novel OCCF framework, named ConCF, that exploits the complementarity from heterogeneous objectives throughout the training process, generating a more generalizable model. ConCF constructs a multi-branch variant of a given target model by adding auxiliary heads, each of which is trained with heterogeneous objectives. Then, it generates consensus by consolidating the various views from the heads, and guides the heads based on the consensus. The heads are collaboratively evolved based on their complementarity throughout the training, which again results in generating more accurate consensus iteratively. After training, we convert the multi-branch architecture back to the original target model by removing the auxiliary heads, thus there is no extra inference cost for the deployment. Our extensive experiments on real-world datasets demonstrate that ConCF significantly improves the generalization of the model by exploiting the complementarity from heterogeneous objectives.

Wonbin Kweon, SeongKu Kang, Hwanjo Yu

For personalized ranking models, the well-calibrated probability of an item being preferred by a user has great practical value. While existing work shows promising results in image classification, probability calibration has not been much explored for personalized ranking. In this paper, we aim to estimate the calibrated probability of how likely a user will prefer an item. We investigate various parametric distributions and propose two parametric calibration methods, namely Gaussian calibration and Gamma calibration. Each proposed method can be seen as a post-processing function that maps the ranking scores of pre-trained models to well-calibrated preference probabilities, without affecting the recommendation performance. We also design the unbiased empirical risk minimization framework that guides the calibration methods to learning of true preference probability from the biased user-item interaction dataset. Extensive evaluations with various personalized ranking models on real-world datasets show that both the proposed calibration methods and the unbiased empirical risk minimization significantly improve the calibration performance.

SeongKu Kang, Junyoung Hwang, Wonbin Kweon et al.

Recommender Systems (RS) have employed knowledge distillation which is a model compression technique training a compact student model with the knowledge transferred from a pre-trained large teacher model. Recent work has shown that transferring knowledge from the teacher's intermediate layer significantly improves the recommendation quality of the student. However, they transfer the knowledge of individual representation point-wise and thus have a limitation in that primary information of RS lies in the relations in the representation space. This paper proposes a new topology distillation approach that guides the student by transferring the topological structure built upon the relations in the teacher space. We first observe that simply making the student learn the whole topological structure is not always effective and even degrades the student's performance. We demonstrate that because the capacity of the student is highly limited compared to that of the teacher, learning the whole topological structure is daunting for the student. To address this issue, we propose a novel method named Hierarchical Topology Distillation (HTD) which distills the topology hierarchically to cope with the large capacity gap. Our extensive experiments on real-world datasets show that the proposed method significantly outperforms the state-of-the-art competitors. We also provide in-depth analyses to ascertain the benefit of distilling the topology for RS.

Wonbin Kweon, SeongKu Kang, Hwanjo Yu

Recommender systems (RS) have started to employ knowledge distillation, which is a model compression technique training a compact model (student) with the knowledge transferred from a cumbersome model (teacher). The state-of-the-art methods rely on unidirectional distillation transferring the knowledge only from the teacher to the student, with an underlying assumption that the teacher is always superior to the student. However, we demonstrate that the student performs better than the teacher on a significant proportion of the test set, especially for RS. Based on this observation, we propose Bidirectional Distillation (BD) framework whereby both the teacher and the student collaboratively improve with each other. Specifically, each model is trained with the distillation loss that makes to follow the other's prediction along with its original loss function. For effective bidirectional distillation, we propose rank discrepancy-aware sampling scheme to distill only the informative knowledge that can fully enhance each other. The proposed scheme is designed to effectively cope with a large performance gap between the teacher and the student. Trained in the bidirectional way, it turns out that both the teacher and the student are significantly improved compared to when being trained separately. Our extensive experiments on real-world datasets show that our proposed framework consistently outperforms the state-of-the-art competitors. We also provide analyses for an in-depth understanding of BD and ablation studies to verify the effectiveness of each proposed component.

SeongKu Kang, Junyoung Hwang, Wonbin Kweon et al.

Recent recommender systems have started to employ knowledge distillation, which is a model compression technique distilling knowledge from a cumbersome model (teacher) to a compact model (student), to reduce inference latency while maintaining performance. The state-of-the-art methods have only focused on making the student model accurately imitate the predictions of the teacher model. They have a limitation in that the prediction results incompletely reveal the teacher's knowledge. In this paper, we propose a novel knowledge distillation framework for recommender system, called DE-RRD, which enables the student model to learn from the latent knowledge encoded in the teacher model as well as from the teacher's predictions. Concretely, DE-RRD consists of two methods: 1) Distillation Experts (DE) that directly transfers the latent knowledge from the teacher model. DE exploits "experts" and a novel expert selection strategy for effectively distilling the vast teacher's knowledge to the student with limited capacity. 2) Relaxed Ranking Distillation (RRD) that transfers the knowledge revealed from the teacher's prediction with consideration of the relaxed ranking orders among items. Our extensive experiments show that DE-RRD outperforms the state-of-the-art competitors and achieves comparable or even better performance to that of the teacher model with faster inference time.