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Sung Ju Hwang

Publications and source records attributed to Sung Ju Hwang.

At least 73 records · Page 4Linked to original sources
arXiv2026

Multi-View Encoders for Performance Prediction in LLM-Based Agentic Workflows

Large language models (LLMs) have demonstrated remarkable capabilities across diverse tasks, but optimizing LLM-based agentic systems remains challenging due to the vast search space of agent configurations, prompting strategies, and communication patterns. Existing approaches often rely on heuristic-based tuning or exhaustive evaluation, which can be computationally expensive and suboptimal. This paper proposes Agentic Predictor, a lightweight predictor for efficient agentic workflow evaluation. Agentic Predictor is equipped with a multi-view workflow encoding technique that leverages multi-view representation learning of agentic systems by incorporating code architecture, textual prompts, and interaction graph features. To achieve high predictive accuracy while significantly reducing the number of required workflow evaluations for training a predictor, Agentic Predictor employs cross-domain unsupervised pretraining. By learning to approximate task success rates, Agentic Predictor enables fast and accurate selection of optimal agentic workflow configurations for a given task, significantly reducing the need for expensive trial-and-error evaluations. Experiments on a carefully curated benchmark spanning three domains show that our predictor outperforms several strong graph-based baselines in both predictive accuracy and workflow utility, highlighting the potential of performance predictors in streamlining the design of LLM-based agentic workflows.

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arXiv2026

Multimodal Prompt Optimization: Why Not Leverage Multiple Modalities for MLLMs

Large Language Models (LLMs) have shown remarkable success, and their multimodal expansions (MLLMs) further unlock capabilities spanning images, videos, and other modalities beyond text. However, despite this shift, prompt optimization approaches, designed to reduce the burden of manual prompt crafting while maximizing performance, remain confined to text, ultimately limiting the full potential of MLLMs. Motivated by this gap, we introduce the new problem of multimodal prompt optimization, which expands the prior definition of prompt optimization to the multimodal space defined by the pairs of textual and non-textual prompts. To tackle this problem, we then propose the Multimodal Prompt Optimizer (MPO), a unified framework that not only performs the joint optimization of multimodal prompts through alignment-preserving updates but also guides the selection process of candidate prompts by leveraging earlier evaluations as priors in a Bayesian-based selection strategy. Through extensive experiments across diverse modalities that go beyond text, such as images, videos, and even molecules, we demonstrate that MPO outperforms leading text-only optimization methods, establishing multimodal prompt optimization as a crucial step to realizing the potential of MLLMs.

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arXiv2026

Unified Multimodal Interleaved Document Representation for Retrieval

Information Retrieval (IR) methods aim to identify documents relevant to a query, which have been widely applied in various natural language tasks. However, existing approaches typically consider only the textual content within documents, overlooking the fact that documents can contain multiple modalities, including images and tables. Also, they often segment each long document into multiple discrete passages for embedding, which prevents them from capturing the overall document context and interactions between paragraphs. To address these two challenges, we propose a method that holistically embeds documents interleaved with multiple modalities by leveraging the capability of recent vision-language models that enable the processing and integration of text, images, and tables into a unified format and representation. Moreover, to mitigate the information loss from segmenting documents into passages, instead of representing and retrieving passages individually, we further merge the representations of segmented passages into one single document representation, while we additionally introduce a reranking strategy to decouple and identify the relevant passage within the document if necessary. Then, through extensive experiments on diverse IR scenarios considering both the textual and multimodal queries, we show that our approach substantially outperforms relevant baselines, thanks to the consideration of the multimodal information within documents.

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arXiv2026

Robust Molecular Property Prediction via Densifying Scarce Labeled Data

A widely recognized limitation of molecular prediction models is their reliance on structures observed in the training data, resulting in poor generalization to out-of-distribution compounds. Yet in drug discovery, the compounds most critical for advancing research often lie beyond the training set, making the bias toward the training data particularly problematic. This mismatch introduces substantial covariate shift, under which standard deep learning models produce unstable and inaccurate predictions. Furthermore, the scarcity of labeled data-stemming from the onerous and costly nature of experimental validation-further exacerbates the difficulty of achieving reliable generalization. To address these limitations, we propose a novel bilevel optimization approach that leverages unlabeled data to interpolate between in-distribution (ID) and out-of-distribution (OOD) data, enabling the model to learn how to generalize beyond the training distribution. We demonstrate significant performance gains on challenging real-world datasets with substantial covariate shift, supported by t-SNE visualizations highlighting our interpolation method.

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arXiv2025

HoliSafe: Holistic Safety Benchmarking and Modeling for Vision-Language Model

Despite emerging efforts to enhance the safety of Vision-Language Models (VLMs), current approaches face two main shortcomings. 1) Existing safety-tuning datasets and benchmarks only partially consider how image-text interactions can yield harmful content, often overlooking contextually unsafe outcomes from seemingly benign pairs. This narrow coverage leaves VLMs vulnerable to jailbreak attacks in unseen configurations. 2) Prior methods rely primarily on data-centric tuning, with limited architectural innovations to intrinsically strengthen safety. We address these gaps by introducing a holistic safety dataset and benchmark, \textbf{HoliSafe}, that spans all five safe/unsafe image-text combinations, providing a more robust basis for both training and evaluation (HoliSafe-Bench). We further propose a novel modular framework for enhancing VLM safety with a visual guard module (VGM) designed to assess the harmfulness of input images for VLMs. This module endows VLMs with a dual functionality: they not only learn to generate safer responses but can also provide an interpretable harmfulness classification to justify their refusal decisions. A significant advantage of this approach is its modularity; the VGM is designed as a plug-in component, allowing for seamless integration with diverse pre-trained VLMs across various scales. Experiments show that Safe-VLM with VGM, trained on our HoliSafe, achieves state-of-the-art safety performance across multiple VLM benchmarks. Additionally, the HoliSafe-Bench itself reveals critical vulnerabilities in existing VLM models. We hope that HoliSafe and VGM will spur further research into robust and interpretable VLM safety, expanding future avenues for multimodal alignment.

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arXiv2025

Delta Attention: Fast and Accurate Sparse Attention Inference by Delta Correction

The attention mechanism of a transformer has a quadratic complexity, leading to high inference costs and latency for long sequences. However, attention matrices are mostly sparse, which implies that many entries may be omitted from computation for efficient inference. Sparse attention inference methods aim to reduce this computational burden; however, they also come with a troublesome performance degradation. We discover that one reason for this degradation is that the sparse calculation induces a distributional shift in the attention outputs. The distributional shift causes decoding-time queries to fail to align well with the appropriate keys from the prefill stage, leading to a drop in performance. We propose a simple, novel, and effective procedure for correcting this distributional shift, bringing the distribution of sparse attention outputs closer to that of quadratic attention. Our method can be applied on top of any sparse attention method, and results in an average 36%pt performance increase, recovering 88% of quadratic attention accuracy on the 131K RULER benchmark when applied on top of sliding window attention with sink tokens while only adding a small overhead. Our method can maintain approximately 98.5% sparsity over full quadratic attention, making our model 32 times faster than Flash Attention 2 when processing 1M token prefills.

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arXiv2025

Distilling LLM Agent into Small Models with Retrieval and Code Tools

Large language models (LLMs) excel at complex reasoning tasks but remain computationally expensive, limiting their practical deployment. To address this, recent works have focused on distilling reasoning capabilities into smaller language models (sLMs) using chain-of-thought (CoT) traces from teacher LLMs. However, this approach struggles in scenarios requiring rare factual knowledge or precise computation, where sLMs often hallucinate due to limited capability. In this work, we propose Agent Distillation, a framework for transferring not only reasoning capability but full task-solving behavior from LLM-based agents into sLMs with retrieval and code tools. We improve agent distillation along two complementary axes: (1) we introduce a prompting method called first-thought prefix to enhance the quality of teacher-generated trajectories; and (2) we propose a self-consistent action generation for improving test-time robustness of small agents. We evaluate our method on eight reasoning tasks across factual and mathematical domains, covering both in-domain and out-of-domain generalization. Our results show that sLMs as small as 0.5B, 1.5B, 3B parameters can achieve performance competitive with next-tier larger 1.5B, 3B, 7B models fine-tuned using CoT distillation, demonstrating the potential of agent distillation for building practical, tool-using small agents. Our code is available at https://github.com/Nardien/agent-distillation.

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arXiv2025

FedSVD: Adaptive Orthogonalization for Private Federated Learning with LoRA

Low-Rank Adaptation (LoRA), which introduces a product of two trainable low-rank matrices into frozen pre-trained weights, is widely used for efficient fine-tuning of language models in federated learning (FL). However, when combined with differentially private stochastic gradient descent (DP-SGD), LoRA faces substantial noise amplification: DP-SGD perturbs per-sample gradients, and the matrix multiplication of the LoRA update ($BA$) intensifies this effect. Freezing one matrix (e.g., $A$) reduces the noise but restricts model expressiveness, often resulting in suboptimal adaptation. To address this, we propose $\texttt{FedSVD}$, a simple yet effective method that introduces a global reparameterization based on singular value decomposition (SVD). In our approach, each client optimizes only the $B$ matrix and transmits it to the server. The server aggregates the $B$ matrices, computes the product $BA$ using the previous $A$, and refactorizes the result via SVD. This yields a new adaptive $A$ composed of the orthonormal right singular vectors of $BA$, and an updated $B$ containing the remaining SVD components. This reparameterization avoids quadratic noise amplification, while allowing $A$ to better capture the principal directions of the aggregate updates. Moreover, the orthonormal structure of $A$ bounds the gradient norms of $B$ and preserves more signal under DP-SGD, as confirmed by our theoretical analysis. As a result, $\texttt{FedSVD}$ consistently improves stability and performance across a variety of privacy settings and benchmarks, outperforming relevant baselines under both private and non-private regimes.

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arXiv2025

Sketch-of-Thought: Efficient LLM Reasoning with Adaptive Cognitive-Inspired Sketching

Recent advances in large language models (LLMs) have enabled strong reasoning capabilities through Chain-of-Thought (CoT) prompting, which elicits step-by-step problem solving, but often at the cost of excessive verbosity in intermediate outputs, leading to increased computational overhead. We propose Sketch-of-Thought (SoT), a prompting framework that integrates cognitively inspired reasoning paradigms with linguistic constraints to reduce token usage while preserving reasoning accuracy. SoT is designed as a flexible, modular approach and is instantiated with three paradigms--Conceptual Chaining, Chunked Symbolism, and Expert Lexicons--each tailored to distinct reasoning tasks and selected dynamically at test-time by a lightweight routing model. Across 18 reasoning datasets spanning multiple domains, languages, and modalities, SoT achieves token reductions of up to 84% with minimal accuracy loss. In tasks such as mathematical and multi-hop reasoning, it even improves accuracy while shortening outputs.

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arXiv2025

Cost-Sensitive Freeze-thaw Bayesian Optimization for Efficient Hyperparameter Tuning

In this paper, we address the problem of \emph{cost-sensitive} hyperparameter optimization (HPO) built upon freeze-thaw Bayesian optimization (BO). Specifically, we assume a scenario where users want to early-stop the HPO process when the expected performance improvement is not satisfactory with respect to the additional computational cost. Motivated by this scenario, we introduce \emph{utility} in the freeze-thaw framework, a function describing the trade-off between the cost and performance that can be estimated from the user's preference data. This utility function, combined with our novel acquisition function and stopping criterion, allows us to dynamically continue training the configuration that we expect to maximally improve the utility in the future, and also automatically stop the HPO process around the maximum utility. Further, we improve the sample efficiency of existing freeze-thaw methods with transfer learning to develop a specialized surrogate model for the cost-sensitive HPO problem. We validate our algorithm on established multi-fidelity HPO benchmarks and show that it outperforms all the previous freeze-thaw BO and transfer-BO baselines we consider, while achieving a significantly better trade-off between the cost and performance. Our code is publicly available at https://github.com/db-Lee/CFBO.

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arXiv2025

Continuous Diffusion Model for Language Modeling

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. However, diffusion models that directly work on discrete data space fail to fully exploit the power of iterative refinement, as the signals are lost during transitions between discrete states. Existing continuous diffusion models for discrete data underperform compared to discrete methods, and the lack of a clear connection between the two approaches hinders the development of effective diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on this analogy, introduce a simple diffusion process that generalizes existing discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry, along with a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. The code is available at https://github.com/harryjo97/RDLM.

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arXiv2025

System Prompt Optimization with Meta-Learning

Large Language Models (LLMs) have shown remarkable capabilities, with optimizing their input prompts playing a pivotal role in maximizing their performance. However, while LLM prompts consist of both the task-agnostic system prompts and task-specific user prompts, existing work on prompt optimization has focused on user prompts specific to individual queries or tasks, and largely overlooked the system prompt that is, once optimized, applicable across different tasks and domains. Motivated by this, we introduce the novel problem of bilevel system prompt optimization, whose objective is to design system prompts that are robust to diverse user prompts and transferable to unseen tasks. To tackle this problem, we then propose a meta-learning framework, which meta-learns the system prompt by optimizing it over various user prompts across multiple datasets, while simultaneously updating the user prompts in an iterative manner to ensure synergy between them. We conduct experiments on 14 unseen datasets spanning 5 different domains, on which we show that our approach produces system prompts that generalize effectively to diverse user prompts. Also, our findings reveal that the optimized system prompt enables rapid adaptation even to unseen tasks, requiring fewer optimization steps for test-time user prompts while achieving improved performance.

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arXiv2025

Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model

Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in task transfer, they often struggle to accurately analyze molecular features due to limited knowledge and reasoning capabilities. To address this issue, we present Mol-LLaMA, a large molecular language model that grasps the general knowledge centered on molecules and exhibits explainability and reasoning ability. To this end, we design key data types that encompass the fundamental molecular features, taking into account the essential abilities for molecular reasoning. Further, to improve molecular understanding, we propose a module that integrates complementary information from different molecular encoders, leveraging the distinct advantages of molecular representations. Our experimental results demonstrate that Mol-LLaMA is capable of comprehending the general features of molecules and providing informative responses, implying its potential as a general-purpose assistant for molecular analysis. Our project page is at https://mol-llama.github.io/.

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arXiv2025

Efficient Real-time Refinement of Language Model Text Generation

Large language models (LLMs) have shown remarkable performance across a wide range of natural language tasks. However, a critical challenge remains in that they sometimes generate factually incorrect answers. To address this, while many previous work has focused on identifying errors in their generation and further refining them, they are slow in deployment since they are designed to verify the response from LLMs only after their entire generation (from the first to last tokens) is done. Further, we observe that once LLMs generate incorrect tokens early on, there is a higher likelihood that subsequent tokens will also be factually incorrect. To this end, in this work, we propose Streaming-VR (Streaming Verification and Refinement), a novel approach designed to enhance the efficiency of verification and refinement of LLM outputs. Specifically, the proposed Streaming-VR enables on-the-fly verification and correction of tokens as they are being generated, similar to a streaming process, ensuring that each subset of tokens is checked and refined in real-time by another LLM as the LLM constructs its response. Through comprehensive evaluations on multiple datasets, we demonstrate that our approach not only enhances the factual accuracy of LLMs, but also offers a more efficient solution compared to prior refinement methods.

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arXiv2025

Database-Augmented Query Representation for Information Retrieval

Information retrieval models that aim to search for documents relevant to a query have shown multiple successes, which have been applied to diverse tasks. Yet, the query from the user is oftentimes short, which challenges the retrievers to correctly fetch relevant documents. To tackle this, previous studies have proposed expanding the query with a couple of additional (user-related) features related to it. However, they may be suboptimal to effectively augment the query, and there is plenty of other information available to augment it in a relational database. Motivated by this fact, we present a novel retrieval framework called Database-Augmented Query representation (DAQu), which augments the original query with various (query-related) metadata across multiple tables. In addition, as the number of features in the metadata can be very large and there is no order among them, we encode them with the graph-based set-encoding strategy, which considers hierarchies of features in the database without order. We validate our DAQu in diverse retrieval scenarios, demonstrating that it significantly enhances overall retrieval performance over relevant baselines.

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arXiv2025

Multi-View Node Pruning for Accurate Graph Representation

Graph pooling, which compresses a whole graph into a smaller coarsened graph, is an essential component of graph representation learning. To efficiently compress a given graph, graph pooling methods often drop their nodes with attention-based scoring with the task loss. However, this often results in simply removing nodes with lower degrees without consideration of their feature-level relevance to the given task. To fix this problem, we propose a Multi-View Pruning(MVP), a graph pruning method based on a multi-view framework and reconstruction loss. Given a graph, MVP first constructs multiple graphs for different views either by utilizing the predefined modalities or by randomly partitioning the input features, to consider the importance of each node in diverse perspectives. Then, it learns the score for each node by considering both the reconstruction and the task loss. MVP can be incorporated with any hierarchical pooling framework to score the nodes. We validate MVP on multiple benchmark datasets by coupling it with two graph pooling methods, and show that it significantly improves the performance of the base graph pooling method, outperforming all baselines. Further analysis shows that both the encoding of multiple views and the consideration of reconstruction loss are the key to the success of MVP, and that it indeed identifies nodes that are less important according to domain knowledge.

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arXiv2025

Bayesian Neural Scaling Law Extrapolation with Prior-Data Fitted Networks

Scaling has been a major driver of recent advancements in deep learning. Numerous empirical studies have found that scaling laws often follow the power-law and proposed several variants of power-law functions to predict the scaling behavior at larger scales. However, existing methods mostly rely on point estimation and do not quantify uncertainty, which is crucial for real-world applications involving decision-making problems such as determining the expected performance improvements achievable by investing additional computational resources. In this work, we explore a Bayesian framework based on Prior-data Fitted Networks (PFNs) for neural scaling law extrapolation. Specifically, we design a prior distribution that enables the sampling of infinitely many synthetic functions resembling real-world neural scaling laws, allowing our PFN to meta-learn the extrapolation. We validate the effectiveness of our approach on real-world neural scaling laws, comparing it against both the existing point estimation methods and Bayesian approaches. Our method demonstrates superior performance, particularly in data-limited scenarios such as Bayesian active learning, underscoring its potential for reliable, uncertainty-aware extrapolation in practical applications.

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arXiv2025

AutoML-Agent: A Multi-Agent LLM Framework for Full-Pipeline AutoML

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

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