Changhee Lee

Suwan Yoon, Changhee Lee

Text-guided molecular generation with LLMs often yields invalid SMILES. We argue that invalid drafts should be addressed through a shift from validity-oriented repair to identity-preserving molecular recovery: the objective is not only to restore chemical validity, but also to preserve target-relevant structural cues and recover the molecular identity implied by the description. This perspective reveals the limitations of existing correction strategies. Post-hoc repair can recover validity while distorting key structures, LLM-only correction can introduce unintended global drift, and generic agentic correction remains constrained by greedy single-candidate trajectories even when equipped with executable RDKit edit tools. To address these limitations, we propose AMREC, which couples molecule-aware mismatch tracking with expanded candidate exploration and trajectory-level selection. On invalid ChEBI-20 drafts from three backbone models, AMREC achieves the strongest overall recovery profile across structural, exact-match, and string-level metrics.

Zachary Huemann, Changhee Lee, Junjie Hu et al.

With the growing use of transformer-based language models in medicine, it is unclear how well these models generalize to nuclear medicine which has domain-specific vocabulary and unique reporting styles. In this study, we evaluated the value of domain adaptation in nuclear medicine by adapting language models for the purpose of 5-point Deauville score prediction based on clinical 18F-fluorodeoxyglucose (FDG) PET/CT reports. We retrospectively retrieved 4542 text reports and 1664 images for FDG PET/CT lymphoma exams from 2008-2018 in our clinical imaging database. Deauville scores were removed from the reports and then the remaining text in the reports was used as the model input. Multiple general-purpose transformer language models were used to classify the reports into Deauville scores 1-5. We then adapted the models to the nuclear medicine domain using masked language modeling and assessed its impact on classification performance. The language models were compared against vision models, a multimodal vision language model, and a nuclear medicine physician with seven-fold Monte Carlo cross validation, reported are the mean and standard deviations. Domain adaption improved all language models. For example, BERT improved from 61.3% five-class accuracy to 65.7% following domain adaptation. The best performing model (domain-adapted RoBERTa) achieved a five-class accuracy of 77.4%, which was better than the physician's performance (66%), the best vision model's performance (48.1), and was similar to the multimodal model's performance (77.2). Domain adaptation improved the performance of large language models in interpreting nuclear medicine text reports.

Danyal Maqbool, Changhee Lee, Zachary Huemann et al.

Recent advances in vision-language models (VLMs) have enabled impressive multimodal reasoning, yet most medical applications remain limited to 2D imaging. In this work, we extend VLMs to 3D positron emission tomography and computed tomography (PET/CT), a domain characterized by large volumetric data, small and dispersed lesions, and lengthy radiology reports. We introduce a large-scale dataset comprising over 11,000 lesion-level descriptions paired with 3D segmentations from more than 5,000 PET/CT exams, extracted via a hybrid rule-based and large language model (LLM) pipeline. Building upon this dataset, we propose PETAR-4B, a 3D mask-aware vision-language model that integrates PET, CT, and lesion contours for spatially grounded report generation. PETAR bridges global contextual reasoning with fine-grained lesion awareness, producing clinically coherent and localized findings. Comprehensive automated and human evaluations demonstrate that PETAR substantially improves PET/CT report generation quality, advancing 3D medical vision-language understanding.

Dongjoon Lee, Hyeryn Park, Changhee Lee

Previous deep learning approaches for survival analysis have primarily relied on ranking losses to improve discrimination performance, which often comes at the expense of calibration performance. To address such an issue, we propose a novel contrastive learning approach specifically designed to enhance discrimination \textit{without} sacrificing calibration. Our method employs weighted sampling within a contrastive learning framework, assigning lower penalties to samples with similar survival outcomes. This aligns well with the assumption that patients with similar event times share similar clinical statuses. Consequently, when augmented with the commonly used negative log-likelihood loss, our approach significantly improves discrimination performance without directly manipulating the model outputs, thereby achieving better calibration. Experiments on multiple real-world clinical datasets demonstrate that our method outperforms state-of-the-art deep survival models in both discrimination and calibration. Through comprehensive ablation studies, we further validate the effectiveness of our approach through quantitative and qualitative analyses.

Alicia Curth, Changhee Lee, Mihaela van der Schaar

We study the problem of inferring heterogeneous treatment effects from time-to-event data. While both the related problems of (i) estimating treatment effects for binary or continuous outcomes and (ii) predicting survival outcomes have been well studied in the recent machine learning literature, their combination -- albeit of high practical relevance -- has received considerably less attention. With the ultimate goal of reliably estimating the effects of treatments on instantaneous risk and survival probabilities, we focus on the problem of learning (discrete-time) treatment-specific conditional hazard functions. We find that unique challenges arise in this context due to a variety of covariate shift issues that go beyond a mere combination of well-studied confounding and censoring biases. We theoretically analyse their effects by adapting recent generalization bounds from domain adaptation and treatment effect estimation to our setting and discuss implications for model design. We use the resulting insights to propose a novel deep learning method for treatment-specific hazard estimation based on balancing representations. We investigate performance across a range of experimental settings and empirically confirm that our method outperforms baselines by addressing covariate shifts from various sources.

Yang Fang, Geun-Sik Jo, Chang-Hee Lee

Most Siamese network-based trackers perform the tracking process without model update, and cannot learn targetspecific variation adaptively. Moreover, Siamese-based trackers infer the new state of tracked objects by generating axis-aligned bounding boxes, which contain extra background noise, and are unable to accurately estimate the rotation and scale transformation of moving objects, thus potentially reducing tracking performance. In this paper, we propose a novel Rotation-Scale Invariant Network (RSINet) to address the above problem. Our RSINet tracker consists of a target-distractor discrimination branch and a rotation-scale estimation branch, the rotation and scale knowledge can be explicitly learned by a multi-task learning method in an end-to-end manner. In addtion, the tracking model is adaptively optimized and updated under spatio-temporal energy control, which ensures model stability and reliability, as well as high tracking efficiency. Comprehensive experiments on OTB-100, VOT2018, and LaSOT benchmarks demonstrate that our proposed RSINet tracker yields new state-of-the-art performance compared with recent trackers, while running at real-time speed about 45 FPS.

Changhee Lee, Nicholas Mastronarde, Mihaela van der Schaar

Estimating the individual treatment effect (ITE) from observational data is essential in medicine. A central challenge in estimating the ITE is handling confounders, which are factors that affect both an intervention and its outcome. Most previous work relies on the unconfoundedness assumption, which posits that all the confounders are measured in the observational data. However, if there are unmeasurable (latent) confounders, then confounding bias is introduced. Fortunately, noisy proxies for the latent confounders are often available and can be used to make an unbiased estimate of the ITE. In this paper, we develop a novel adversarial learning framework to make unbiased estimates of the ITE using noisy proxies.