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Sungwoong Kim

Publications and source records attributed to Sungwoong Kim.

At least 19 recordsLinked to original sources
arXiv2026

RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Prediction

Retrosynthesis prediction aims to identify reactants that can synthesize a given product molecule. Although molecular large language models (LLMs) have recently shown promising results, most existing methods either generate reactants directly or provide only generic product-level analysis, without explicitly reasoning about bond-disconnection strategies that justify specific reactant choices. This paper proposes RetroReasoner, a retrosynthetic reasoning model that captures chemists' strategic disconnection-based thinking. RetroReasoner is trained with supervised fine-tuning and reinforcement learning. For supervised fine-tuning, SyntheticRetro generates structured disconnection rationales paired with reactant predictions. For reinforcement learning, a round-trip reward evaluates predicted reactants by passing them through a forward synthesis model and rewarding predictions that reconstruct the original product. RetroReasoner can also be applied to multi-step retrosynthetic planning by incorporating it into a parallelized Monte Carlo tree search framework, reducing search time while increasing the number and diversity of valid synthetic pathways. Experimental results show that RetroReasoner outperforms prior baselines, including not only molecular LLMs but also retrosynthesis-specific expert models, and generates a broader range of feasible reactant proposals, especially for challenging reaction instances. The code is available at https://github.com/KU-AGI/RetroReasoner.

cs.LG↗
arXiv2026

MusicMark: A Robust Generative Watermarking Framework for Music Generation

AI music generation has rapidly advanced alongside commercial platforms, raising the need for reliable watermarking for provenance and attribution. However, existing audio watermarking research has largely focused on speech, and applying speech-oriented methods to music is challenging due to music's complex structure and rich acoustic texture. Most existing methods are post-hoc, adding imperceptible perturbations after generation rather than embedding watermarks as part of the content. This makes them fragile under transformations and especially vulnerable to neural codec re-synthesis, which can discard imperceptible residual signals. Moreover, since generation and watermarking are decoupled, the watermarking step can be bypassed or omitted, weakening provenance guarantees. To address these issues, we propose MusicMark, which, to the best of our knowledge, is the first generative watermarking framework for music. Specifically, MusicMark embeds watermark messages into the semantic latent space during generation, incorporating the watermark as part of the musical content and ensuring robustness against diverse attacks, particularly neural codec re-synthesis. To this end, we introduce a watermark adapter into a diffusion-based generation model to embed watermark messages across denoising steps. The adapter and detector are trained with a joint objective that preserves fidelity by constraining watermarked latents close to their unwatermarked reference latents, while improving robustness through attack augmentations. Experiments demonstrate that MusicMark substantially outperforms post-hoc baselines across diverse attacks including neural codec re-synthesis, while maintaining comparable generation quality. We further introduce a cover-song attack, converting the singing voice while preserving musical content, and show that MusicMark remains more robust than post-hoc methods.

cs.SD↗
arXiv2026

LM-SPT: LM-Aligned Semantic Distillation for Speech Tokenization

With the rapid progress of speech language models (SLMs), discrete speech tokens have emerged as a core interface between speech and text, enabling unified modeling across modalities. Recent speech tokenization approaches aim to isolate semantic information from low-level acoustics to better align with language models (LMs). In particular, previous methods use self-supervised learning (SSL) teachers such as HuBERT to extract semantic representations, which are then distilled into a semantic quantizer to suppress acoustic redundancy as well as capture content-related latent structures. However, these tokenizers often operate at relatively high frame rates, producing token sequences significantly longer than their textual counterparts and hindering seamless integration with pretrained LMs. Although recent methods attempt to reduce the token rate by applying uniform average pooling to SSL features, this can over-smooth content-bearing regions and dilute the structural information, thereby potentially limiting the LM alignment. To address this, we propose LM-SPT, an LM-aligned speech tokenization method based on semantic speech-resynthesis distillation. Instead of directly matching teacher and student features via pooling, LM-SPT resynthesizes speech from semantic tokens only and minimizes the discrepancy between representations extracted from the original and resynthesized waveforms using a frozen, LM-aligned speech encoder. This indirect supervision avoids rigid temporal alignment and encourages dedicated semantic units that are more semantically aligned with LMs under reduced frame rates. Experimental results show that the proposed LM-SPT consistently outperforms previous semantic-enhanced speech tokenizers when applied to SLMs for the tasks of automatic speech recognition and text-to-speech, even without compromising the speech reconstruction fidelity at the codec level.

cs.CL↗
arXiv2026

Plan-and-Verify Video Reward Reasoning with Spatio-Temporal Scene Graph Grounding

Reward models for text-to-video (T2V) generation guide post-training but often fail at fine-grained semantic alignment. We trace this to two structural weaknesses in existing reasoning-based reward models: they do not systematically verify every condition described in the prompt, and the visual evidence supporting each judgment remains implicit in their free-form reasoning. We propose SG-PVR, a video reward model that addresses these limitations through plan-and-verify reasoning grounded in spatio-temporal scene graphs. The verification plan decomposes the prompt into atomic claims, ensuring every requirement is checked. The spatio-temporal scene graph, encoding entities, attributes, and temporally-grounded relations, is extracted from the video and maintained as a persistent structured visual reference throughout reasoning. Each claim is verified against both the video and the scene graph, anchoring judgments in explicit visual evidence. SG-PVR achieves strong performance on semantic alignment, including fine-grained temporal semantics. As a test-time reranker, it further enhances compositional alignment in T2V generation.

cs.CV↗
arXiv2026

Query-based Cross-Modal Projector Bolstering Mamba Multimodal LLM

The Transformer's quadratic complexity with input length imposes an unsustainable computational load on large language models (LLMs). In contrast, the Selective Scan Structured State-Space Model, or Mamba, addresses this computational challenge effectively. This paper explores a query-based cross-modal projector designed to bolster Mamba's efficiency for vision-language modeling by compressing visual tokens based on input through the cross-attention mechanism. This innovative projector also removes the need for manually designing the 2D scan order of original image features when converting them into an input sequence for Mamba LLM. Experimental results across various vision-language understanding benchmarks show that the proposed cross-modal projector enhances Mamba-based multimodal LLMs, boosting both performance and throughput.

cs.CL↗
arXiv2026

FiRe: Fine-grained Multimodal Reasoning for Enhanced Image Generation

With the rapid progress of Multimodal Large Language Models (MLLMs), unified MLLMs that jointly perform image understanding and generation have advanced significantly. However, despite the inherent reasoning capabilities of unified MLLMs for self-reflection and self-refinement, their use in text-to-image generation remains largely underexplored. Meanwhile, existing multimodal reasoning-based image generation methods mostly rely on prompt augmentation or holistic image-text alignment judgments, without fine-grained reflection and refinement of detailed prompt attributes, leading to limited fine-grained control. To address this limitation, we propose FiRe, a Fine-grained Multimodal Reasoning method for enhanced image generation by MLLM. In specific, FiRe performs a fine-grained multi-step reasoning by first decomposing the prompt into key visual requirements and then self-judging their satisfaction in the generated image, followed by localized refinement according to self-generated precise feedback. In addition, to further strengthen the MLLM's multimodal reasoning ability, we introduce FiRe-GRPO, a reinforcement learning method tailored to FiRe. Since standard Group Relative Policy Optimization (GRPO) suffers from sparse, outcome-based rewards in multi-step reasoning, we formulate our reasoning process as a step-level decision-making problem, design step-specific rewards, and compute step-level advantages for granular credit assignment within GRPO. Extensive experiments demonstrate that FiRe consistently outperforms competitive text-to-image baselines, including existing reasoning-based methods, with particularly substantial gains on compositional text-to-image benchmarks.

cs.CV↗
arXiv2026

Slot-MLLM: Object-Centric Visual Tokenization for Multimodal LLM

Recently, multimodal large language models (MLLMs) have emerged as a key approach in achieving artificial general intelligence. In particular, vision-language MLLMs have been developed to generate not only text but also visual outputs from multimodal inputs. This advancement requires efficient image tokens that LLMs can process effectively both in input and output. However, existing image tokenization methods for MLLMs typically capture only global abstract concepts or uniformly segmented image patches, restricting MLLMs' capability to effectively understand or generate detailed visual content, particularly at the object level. To address this limitation, we propose an object-centric visual tokenizer based on Slot Attention specifically for MLLMs. In particular, based on the Q-Former encoder, diffusion decoder, and residual vector quantization, our proposed discretized slot tokens can encode local visual details while maintaining high-level semantics, and also align with textual data to be integrated seamlessly within a unified next-token prediction framework of LLMs. The resulting Slot-MLLM demonstrates significant performance improvements over baselines with previous visual tokenizers across various vision-language tasks that entail local detailed comprehension and generation. Notably, this work is the first demonstration of the feasibility of object-centric slot attention performed with MLLMs and in-the-wild natural images.

cs.CV↗
arXiv2026

OSPO: Object-Centric Self-Improving Preference Optimization for Text-to-Image Generation

Recent advances in Multimodal Large Language Models (MLLMs) have enabled unified multimodal understanding and generation. However, they still struggle with fine-grained text-image alignment, often failing to faithfully depict objects with correct attributes such as color, shape, and spatial relations. To mitigate this issue, previous studies have explored preference optimization methods such as DPO and GRPO, but these approaches incur substantial computational cost, both in constructing preference data and in performing optimization. This has motivated self-improving preference optimization approaches, in which the MLLM autonomously generates its own training data, self-estimates preference feedback, and self-optimizes using the resulting self-constructed preference pairs. However, existing self-improving methods still overlook fine-grained, object-level semantics, allowing object hallucination to persist. To tackle this problem, we propose Object-centric Self-improving Preference Optimization (OSPO), a self-improving framework designed to enhance object-level text-image alignment. OSPO explicitly constructs object-centric preference data without relying on any external data and external models. We also introduce a new approach that leverages attention-based object masks together with an object-weighted SimPO loss to enhance object-specific fidelity. Extensive experiments on three compositional image generation benchmarks demonstrate that OSPO significantly improves fine-grained alignment and reduces object hallucination, outperforming prior self-improving methods and even specialized diffusion-based text-to-image models.

cs.CV↗
arXiv2026

Uncertainty-Aware Rank-One MIMO Q Network Framework for Accelerated Offline Reinforcement Learning

Offline reinforcement learning (RL) has garnered significant interest due to its safe and easily scalable paradigm. However, training under this paradigm presents its own challenge: the extrapolation error stemming from out-of-distribution (OOD) data. Existing methodologies have endeavored to address this issue through means like penalizing OOD Q-values or imposing similarity constraints on the learned policy and the behavior policy. Nonetheless, these approaches are often beset by limitations such as being overly conservative in utilizing OOD data, imprecise OOD data characterization, and significant computational overhead. To address these challenges, this paper introduces an Uncertainty-Aware Rank-One Multi-Input Multi-Output (MIMO) Q Network framework. The framework aims to enhance Offline Reinforcement Learning by fully leveraging the potential of OOD data while still ensuring efficiency in the learning process. Specifically, the framework quantifies data uncertainty and harnesses it in the training losses, aiming to train a policy that maximizes the lower confidence bound of the corresponding Q-function. Furthermore, a Rank-One MIMO architecture is introduced to model the uncertainty-aware Q-function, \TP{offering the same ability for uncertainty quantification as an ensemble of networks but with a cost nearly equivalent to that of a single network}. Consequently, this framework strikes a harmonious balance between precision, speed, and memory efficiency, culminating in improved overall performance. Extensive experimentation on the D4RL benchmark demonstrates that the framework attains state-of-the-art performance while remaining computationally efficient. By incorporating the concept of uncertainty quantification, our framework offers a promising avenue to alleviate extrapolation errors and enhance the efficiency of offline RL.

cs.LG↗
arXiv2025

Score-informed Neural Operator for Enhancing Ordering-based Causal Discovery

Ordering-based approaches to causal discovery identify topological orders of causal graphs, providing scalable alternatives to combinatorial search methods. Under the Additive Noise Model (ANM) assumption, recent causal ordering methods based on score matching require an accurate estimation of the Hessian diagonal of the log-densities. In this paper, we aim to improve the approximation of the Hessian diagonal of the log-densities, thereby enhancing the performance of ordering-based causal discovery algorithms. Existing approaches that rely on Stein gradient estimators are computationally expensive and memory-intensive, while diffusion-model-based methods remain unstable due to the second-order derivatives of score models. To alleviate these problems, we propose Score-informed Neural Operator (SciNO), a probabilistic generative model in smooth function spaces designed to stably approximate the Hessian diagonal and to preserve structural information during the score modeling. Empirical results show that SciNO reduces order divergence by 42.7% on synthetic graphs and by 31.5% on real-world datasets on average compared to DiffAN, while maintaining memory efficiency and scalability. Furthermore, we propose a probabilistic control algorithm for causal reasoning with autoregressive models that integrates SciNO's probability estimates with autoregressive model priors, enabling reliable data-driven causal ordering informed by semantic information. Consequently, the proposed method enhances causal reasoning abilities of LLMs without additional fine-tuning or prompt engineering.

cs.LG↗
arXiv2025

CANVAS: Commonsense-Aware Navigation System for Intuitive Human-Robot Interaction

Real-life robot navigation involves more than just reaching a destination; it requires optimizing movements while addressing scenario-specific goals. An intuitive way for humans to express these goals is through abstract cues like verbal commands or rough sketches. Such human guidance may lack details or be noisy. Nonetheless, we expect robots to navigate as intended. For robots to interpret and execute these abstract instructions in line with human expectations, they must share a common understanding of basic navigation concepts with humans. To this end, we introduce CANVAS, a novel framework that combines visual and linguistic instructions for commonsense-aware navigation. Its success is driven by imitation learning, enabling the robot to learn from human navigation behavior. We present COMMAND, a comprehensive dataset with human-annotated navigation results, spanning over 48 hours and 219 km, designed to train commonsense-aware navigation systems in simulated environments. Our experiments show that CANVAS outperforms the strong rule-based system ROS NavStack across all environments, demonstrating superior performance with noisy instructions. Notably, in the orchard environment, where ROS NavStack records a 0% total success rate, CANVAS achieves a total success rate of 67%. CANVAS also closely aligns with human demonstrations and commonsense constraints, even in unseen environments. Furthermore, real-world deployment of CANVAS showcases impressive Sim2Real transfer with a total success rate of 69%, highlighting the potential of learning from human demonstrations in simulated environments for real-world applications.

cs.RO↗
arXiv2025

SGPO: Self-Generated Preference Optimization based on Self-Improver

Large language models (LLMs), despite their extensive pretraining on diverse datasets, require effective alignment to human preferences for practical and reliable deployment. Conventional alignment methods typically employ off-policy learning and depend on human-annotated datasets, which limits their broad applicability and introduces distribution shift issues during training. To address these challenges, we propose Self-Generated Preference Optimization based on Self-Improver (SGPO), an innovative alignment framework that leverages an on-policy self-improving mechanism. Specifically, the improver refines responses from a policy model to self-generate preference data for direct preference optimization (DPO) of the policy model. Here, the improver and policy are unified into a single model, and in order to generate higher-quality preference data, this self-improver learns to make incremental yet discernible improvements to the current responses by referencing supervised fine-tuning outputs. Experimental results on AlpacaEval 2.0 and Arena-Hard show that the proposed SGPO significantly improves performance over DPO and baseline self-improving methods without using external preference data.

cs.CL↗
arXiv2025

ConfPO: Exploiting Policy Model Confidence for Critical Token Selection in Preference Optimization

We introduce ConfPO, a method for preference learning in Large Language Models (LLMs) that identifies and optimizes preference-critical tokens based solely on the training policy's confidence, without requiring any auxiliary models or compute. Unlike prior Direct Alignment Algorithms (DAAs) such as Direct Preference Optimization (DPO), which uniformly adjust all token probabilities regardless of their relevance to preference, ConfPO focuses optimization on the most impactful tokens. This targeted approach improves alignment quality while mitigating overoptimization (i.e., reward hacking) by using the KL divergence budget more efficiently. In contrast to recent token-level methods that rely on credit-assignment models or AI annotators, raising concerns about scalability and reliability, ConfPO is simple, lightweight, and model-free. Experimental results on challenging alignment benchmarks, including AlpacaEval 2 and Arena-Hard, demonstrate that ConfPO consistently outperforms uniform DAAs across various LLMs, delivering better alignment with zero additional computational overhead.

cs.CL↗
arXiv2025

VisEscape: A Benchmark for Evaluating Exploration-driven Decision-making in Virtual Escape Rooms

Escape rooms present a unique cognitive challenge that demands exploration-driven planning: with the sole instruction to 'escape the room', players must actively search their environment, collecting information, and finding solutions through repeated trial and error. Motivated by this, we introduce VisEscape, a benchmark of 20 virtual escape rooms specifically designed to evaluate AI models under these challenging conditions, where success depends not only on solving isolated puzzles but also on iteratively constructing and refining spatial-temporal knowledge of a dynamically changing environment. On VisEscape, we observe that even state-of-the-art multi-modal models generally fail to escape the rooms, showing considerable variation in their progress and problem-solving approaches. We find that integrating memory management and reasoning contributes to efficient exploration and enables successive hypothesis formulation and testing, thereby leading to significant improvements in dynamic and exploration-driven environments

cs.AI↗
arXiv2025

Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization

Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Large-scale molecular instruction-tuning datasets have enabled sequence-only (e.g., SMILES or SELFIES) generalist molecular LLMs, and researchers are now exploring multimodal approaches that incorporate molecular structural information for further gains. However, a genuinely multimodal, generalist LLM that covers a broad spectrum of molecular tasks has yet to be fully investigated. We observe that naive next token prediction training ignores graph-structural information, limiting an LLM's ability to exploit molecular graphs. To address this, we propose (i) Molecular structure Preference Optimization (MolPO), which facilitates graph usage by optimizing preferences between pairs of correct and perturbed molecular structures, and (ii) an advanced graph encoder with a tailored pre-training strategy to improve the effect of graph utilization by MolPO. Building on these contributions, we introduce Mol-LLM, the first multimodal generalist model that (a) handles a broad spectrum of molecular tasks among molecular LLMs, (b) explicitly leverages molecular-structure information, and (c) takes advantage of extensive instruction tuning. Mol-LLM attains state-of-the-art or comparable results across the most comprehensive molecular-LLM benchmark-even on out-of-distribution datasets for reaction and property prediction, where it surpasses prior generalist molecular LLMs by a large margin.

cs.LG↗
arXiv2025

Subtle Risks, Critical Failures: A Framework for Diagnosing Physical Safety of LLMs for Embodied Decision Making

Large Language Models (LLMs) are increasingly used for decision making in embodied agents, yet existing safety evaluations often rely on coarse success rates and domain-specific setups, making it difficult to diagnose why and where these models fail. This obscures our understanding of embodied safety and limits the selective deployment of LLMs in high-risk physical environments. We introduce SAFEL, the framework for systematically evaluating the physical safety of LLMs in embodied decision making. SAFEL assesses two key competencies: (1) rejecting unsafe commands via the Command Refusal Test, and (2) generating safe and executable plans via the Plan Safety Test. Critically, the latter is decomposed into functional modules, goal interpretation, transition modeling, action sequencing, enabling fine-grained diagnosis of safety failures. To support this framework, we introduce EMBODYGUARD, a PDDL-grounded benchmark containing 942 LLM-generated scenarios covering both overtly malicious and contextually hazardous instructions. Evaluation across 13 state-of-the-art LLMs reveals that while models often reject clearly unsafe commands, they struggle to anticipate and mitigate subtle, situational risks. Our results highlight critical limitations in current LLMs and provide a foundation for more targeted, modular improvements in safe embodied reasoning.

cs.AI↗
arXiv2025

EgoSpeak: Learning When to Speak for Egocentric Conversational Agents in the Wild

Predicting when to initiate speech in real-world environments remains a fundamental challenge for conversational agents. We introduce EgoSpeak, a novel framework for real-time speech initiation prediction in egocentric streaming video. By modeling the conversation from the speaker's first-person viewpoint, EgoSpeak is tailored for human-like interactions in which a conversational agent must continuously observe its environment and dynamically decide when to talk. Our approach bridges the gap between simplified experimental setups and complex natural conversations by integrating four key capabilities: (1) first-person perspective, (2) RGB processing, (3) online processing, and (4) untrimmed video processing. We also present YT-Conversation, a diverse collection of in-the-wild conversational videos from YouTube, as a resource for large-scale pretraining. Experiments on EasyCom and Ego4D demonstrate that EgoSpeak outperforms random and silence-based baselines in real time. Our results also highlight the importance of multimodal input and context length in effectively deciding when to speak.

cs.CV↗
arXiv2024

TLCR: Token-Level Continuous Reward for Fine-grained Reinforcement Learning from Human Feedback

Reinforcement Learning from Human Feedback (RLHF) leverages human preference data to train language models to align more closely with human essence. These human preference data, however, are labeled at the sequence level, creating a mismatch between sequence-level preference labels and tokens, which are autoregressively generated from the language model. Although several recent approaches have tried to provide token-level (i.e., dense) rewards for each individual token, these typically rely on predefined discrete reward values (e.g., positive: +1, negative: -1, neutral: 0), failing to account for varying degrees of preference inherent to each token. To address this limitation, we introduce TLCR (Token-Level Continuous Reward) for RLHF, which incorporates a discriminator trained to distinguish positive and negative tokens, and the confidence of the discriminator is used to assign continuous rewards to each token considering the context. Extensive experiments show that our proposed TLCR leads to consistent performance improvements over previous sequence-level or token-level discrete rewards on open-ended generation benchmarks.

cs.CL↗