Taehan Kim

Taehan Kim, Sarrah Rose Mikhail Leung, Bharat Mekala et al.

Selecting where to intervene on a protein (i.e., choosing a targetable site) is often a more ambiguous and failure-prone bottleneck than selecting what binds, especially for membrane proteins where accessibility, topology, and post-translational modifications (PTMs) constrain actionable regions. We present Site4Drug, a modality-aware site-finding agent that outputs a ranked list of targetable regions with explicit constraints, evidence summaries, risk flags, and a traceable decision log. Rather than requiring users to specify the drug modality upfront, Site4Drug can recommend a binding modality (e.g., antibody/peptide-like vs small-molecule) from the same evidence used for site discovery, including topology, hydropathy, PTM propensity, disulfides, domain context, and sequence. Importantly, this evidence is applied consistently across modalities, including small-molecule pocket discovery, to avoid selecting chemically plausible but biologically occluded sites.

Hyunwoo Ryu, Jiwoo Kim, Hyunseok An et al.

Diffusion generative modeling has become a promising approach for learning robotic manipulation tasks from stochastic human demonstrations. In this paper, we present Diffusion-EDFs, a novel SE(3)-equivariant diffusion-based approach for visual robotic manipulation tasks. We show that our proposed method achieves remarkable data efficiency, requiring only 5 to 10 human demonstrations for effective end-to-end training in less than an hour. Furthermore, our benchmark experiments demonstrate that our approach has superior generalizability and robustness compared to state-of-the-art methods. Lastly, we validate our methods with real hardware experiments. Project Website: https://sites.google.com/view/diffusion-edfs/home

Yubin Kim, Chanwoo Park, Taehan Kim et al.

Agent systems often decompose a task across multiple roles, but these roles are typically specified by prompts rather than enforced by access controls. Without enforcement, a team pass rate can mask whether agents actually coordinated or whether one role effectively did another role's work. We present TeamBench, a benchmark with 851 task templates and 931 seeded instances for evaluating agent coordination under operating system-enforced role separation. TeamBench separates specification access, workspace editing, and final certification across Planner, Executor, and Verifier roles, so that no role can read the full requirements, modify the workspace, and certify the final answer. Prompt-only and sandbox-enforced teams reach statistically indistinguishable pass rates, but prompt-only runs produce 3.6 times more cases where the verifier attempts to edit the executor's code. Verifiers approve 49% of submissions that fail the deterministic grader, and removing the verifier improves mean partial score in the ablation. Team value is also conditional. Teams benefit when single agents struggle, but hurt when single agents already perform well. A 40-session human study under the same role separation shows that our benchmark exposes interaction patterns that pass rate misses. Solo participants work through the task directly, human participants paired with agents often collapse into quick approval, and human teams spend more effort coordinating missing information across roles.

SangJong Lee, Jin-Kwang Kim, JunHo Kim et al.

In this study, we introduces a parameter-efficient model that outperforms traditional models in time series forecasting, by integrating High-order Polynomial Projection (HiPPO) theory into the Kolmogorov-Arnold network (KAN) framework. This HiPPO-KAN model achieves superior performance on long sequence data without increasing parameter count. Experimental results demonstrate that HiPPO-KAN maintains a constant parameter count while varying window sizes and prediction horizons, in contrast to KAN, whose parameter count increases linearly with window size. Surprisingly, although the HiPPO-KAN model keeps a constant parameter count as increasing window size, it significantly outperforms KAN model at larger window sizes. These results indicate that HiPPO-KAN offers significant parameter efficiency and scalability advantages for time series forecasting. Additionally, we address the lagging problem commonly encountered in time series forecasting models, where predictions fail to promptly capture sudden changes in the data. We achieve this by modifying the loss function to compute the MSE directly on the coefficient vectors in the HiPPO domain. This adjustment effectively resolves the lagging problem, resulting in predictions that closely follow the actual time series data. By incorporating HiPPO theory into KAN, this study showcases an efficient approach for handling long sequences with improved predictive accuracy, offering practical contributions for applications in large-scale time series data.

Ryuhaerang Choi, Taehan Kim, Subin Park et al.

Eating disorders (ED) are complex mental health conditions that require long-term management and support. Recent advancements in large language model (LLM)-based chatbots offer the potential to assist individuals in receiving immediate support. Yet, concerns remain about their reliability and safety in sensitive contexts such as ED. We explore the opportunities and potential harms of using LLM-based chatbots for ED recovery. We observe the interactions between 26 participants with ED and an LLM-based chatbot, WellnessBot, designed to support ED recovery, over 10 days. We discovered that our participants have felt empowered in recovery by discussing ED-related stories with the chatbot, which served as a personal yet social avenue. However, we also identified harmful chatbot responses, especially concerning individuals with ED, that went unnoticed partly due to participants' unquestioning trust in the chatbot's reliability. Based on these findings, we provide design implications for safe and effective LLM-based interventions in ED management.

Jinju Kim, Taehan Kim, Abdul Waheed et al.

AI music generation is rapidly emerging in the creative industries, enabling intuitive music generation from textual descriptions. However, these systems pose risks in exploitation of copyrighted creations, raising ethical and legal concerns. In this paper, we present preliminary results on the first application of machine unlearning techniques from an ongoing research to prevent inadvertent usage of creative content. Particularly, we explore existing methods in machine unlearning to a pre-trained Text-to-Music (TTM) baseline and analyze their efficacy in unlearning pre-trained datasets without harming model performance. Through our experiments, we provide insights into the challenges of applying unlearning in music generation, offering a foundational analysis for future works on the application of unlearning for music generative models.

Yubin Kim, Taehan Kim, Wonjune Kang et al.

Vocal health plays a crucial role in peoples' lives, significantly impacting their communicative abilities and interactions. However, despite the global prevalence of voice disorders, many lack access to convenient diagnosis and treatment. This paper introduces VocalAgent, an audio large language model (LLM) to address these challenges through vocal health diagnosis. We leverage Qwen-Audio-Chat fine-tuned on three datasets collected in-situ from hospital patients, and present a multifaceted evaluation framework encompassing a safety assessment to mitigate diagnostic biases, cross-lingual performance analysis, and modality ablation studies. VocalAgent demonstrates superior accuracy on voice disorder classification compared to state-of-the-art baselines. Its LLM-based method offers a scalable solution for broader adoption of health diagnostics, while underscoring the importance of ethical and technical validation.

Taehan Kim, Sangdae Nam

Deep learning, particularly with the advancement of Large Language Models, has transformed biomolecular modeling, with protein advances (e.g., ESM) inspiring emerging RNA language models such as RiNALMo. Yet how and what these RNA Language Models internally encode about messenger RNA (mRNA) or non-coding RNA (ncRNA) families remains unclear. We present SAE- RNA, interpretability model that analyzes RiNALMo representations and maps them to known human-level biological features. Our work frames RNA interpretability as concept discovery in pretrained embeddings, without end-to-end retraining, and provides practical tools to probe what RNA LMs may encode about ncRNA families. The model can be extended to close comparisons between RNA groups, and supporting hypothesis generation about previously unrecognized relationships.

Yubin Kim, Taehan Kim, Eugene Park et al.

We present InvThink, a simple yet powerful approach that gives large language models (LLMs) the capability of inverse thinking: reasoning through failure modes before generating responses. Unlike existing safety alignment methods that optimize directly for safe response, InvThink instructs models to 1) enumerate potential harms, 2) analyze their consequences, and 3) generate safe outputs that proactively avoid these risks. Our method reveals three key findings: (i) safety improvements show stronger scaling with model size compared to existing safety methods. (ii) InvThink mitigates safety tax; by training models to systematically consider failure modes, it preserves general reasoning capabilities on standard benchmarks. (iii) beyond general safety tasks, InvThink excels in high-stakes domains including external-facing (medicine, finance, law) and agentic (blackmail, murder) risk scenarios, achieving up to 15.7% reduction in harmful responses compared to baseline methods like SafetyPrompt. We further implement InvThink via supervised fine-tuning, and reinforcement learning across three LLM families. These results suggest that inverse reasoning provides a scalable and generalizable path toward safer, more capable language models.

Ryuhaerang Choi, Taehan Kim, Subin Park et al.

Peer recovery narratives provide unique benefits beyond professional or lay mentoring by fostering hope and sustained recovery in eating disorder (ED) contexts. Yet, such support is limited by the scarcity of peer-involved programs and potential drawbacks on recovered peers, including relapse risk. To address this, we designed RecoveryTeller, a chatbot adopting a recovered-peer persona that portrays itself as someone recovered from an ED. We examined whether such a persona can reproduce the support affordances of peer recovery narratives. We compared RecoveryTeller with a lay-mentor persona chatbot offering similar guidance but without a recovery background. We conducted a 20-day cross-over deployment study with 26 ED participants, each using both chatbots for 10 days. RecoveryTeller elicited stronger emotional resonance than a lay-mentor chatbot, yet tensions between emotional and epistemic trust led participants to view the two personas as complementary rather than substitutes. We provide design implications for mental health chatbot persona design.

Taehan Kim, Wonduk Seo

Global climate change has reduced crop resilience and pesticide efficacy, making reliance on synthetic pesticides inevitable, even though their widespread use poses significant health and environmental risks. While these pesticides remain a key tool in pest management, previous machine-learning applications in pesticide and agriculture have focused on classification or regression, leaving the fundamental challenge of generating new molecular structures or designing novel candidates unaddressed. In this paper, we propose Pesti-Gen, a novel generative model based on variational auto-encoders, designed to create pesticide candidates with optimized properties for the first time. Specifically, Pesti-Gen leverages a two-stage learning process: an initial pre-training phase that captures a generalized chemical structure representation, followed by a fine-tuning stage that incorporates toxicity-specific information. The model simultaneously optimizes over multiple toxicity metrics, such as (1) livestock toxicity and (2) aqua toxicity to generate environmentally friendly pesticide candidates. Notably, Pesti-Gen achieves approximately 68\% structural validity in generating new molecular structures, demonstrating the model's effectiveness in producing optimized and feasible pesticide candidates, thereby providing a new way for safer and more sustainable pest management solutions.

Laryn Qi, J. D. Zamfirescu-Pereira, Taehan Kim et al.

We evaluate an automatic hint generator for CS1 programming assignments powered by GPT-4, a large language model. This system provides natural language guidance about how students can improve their incorrect solutions to short programming exercises. A hint can be requested each time a student fails a test case. Our evaluation addresses three Research Questions: RQ1: Do the hints help students improve their code? RQ2: How effectively do the hints capture problems in student code? RQ3: Are the issues that students resolve the same as the issues addressed in the hints? To address these research questions quantitatively, we identified a set of fine-grained knowledge components and determined which ones apply to each exercise, incorrect solution, and generated hint. Comparing data from two large CS1 offerings, we found that access to the hints helps students to address problems with their code more quickly, that hints are able to consistently capture the most pressing errors in students' code, and that hints that address a few issues at once rather than a single bug are more likely to lead to direct student progress.