Yuqi Hu

Zhangyang Gao, Yuqi Hu, Cheng Tan et al.

Is there a unified model for generating molecules considering different conditions, such as binding pockets and chemical properties? Although target-aware generative models have made significant advances in drug design, they do not consider chemistry conditions and cannot guarantee the desired chemical properties. Unfortunately, merging the target-aware and chemical-aware models into a unified model to meet customized requirements may lead to the problem of negative transfer. Inspired by the success of multi-task learning in the NLP area, we use prefix embeddings to provide a novel generative model that considers both the targeted pocket's circumstances and a variety of chemical properties. All conditional information is represented as learnable features, which the generative model subsequently employs as a contextual prompt. Experiments show that our model exhibits good controllability in both single and multi-conditional molecular generation. The controllability enables us to outperform previous structure-based drug design methods. More interestingly, we open up the attention mechanism and reveal coupling relationships between conditions, providing guidance for multi-conditional molecule generation.

Yuqi Hu, Xiangyu Zhao, Gaowei Qing et al.

Background: MR-based subchondral bone effectively predicts knee osteoarthritis. However, its clinical application is limited by the cost and time of MR. Purpose: We aim to develop a novel distillation-learning-based method named SRRD for subchondral bone microstructural analysis using easily-acquired CT images, which leverages paired MR images to enhance the CT-based analysis model during training. Materials and Methods: Knee joint images of both CT and MR modalities were collected from October 2020 to May 2021. Firstly, we developed a GAN-based generative model to transform MR images into CT images, which was used to establish the anatomical correspondence between the two modalities. Next, we obtained numerous patches of subchondral bone regions of MR images, together with their trabecular parameters (BV / TV, Tb. Th, Tb. Sp, Tb. N) from the corresponding CT image patches via regression. The distillation-learning technique was used to train the regression model and transfer MR structural information to the CT-based model. The regressed trabecular parameters were further used for knee osteoarthritis classification. Results: A total of 80 participants were evaluated. CT-based regression results of trabecular parameters achieved intra-class correlation coefficients (ICCs) of 0.804, 0.773, 0.711, and 0.622 for BV / TV, Tb. Th, Tb. Sp, and Tb. N, respectively. The use of distillation learning significantly improved the performance of the CT-based knee osteoarthritis classification method using the CNN approach, yielding an AUC score of 0.767 (95% CI, 0.681-0.853) instead of 0.658 (95% CI, 0.574-0.742) (p<.001). Conclusions: The proposed SRRD method showed high reliability and validity in MR-CT registration, regression, and knee osteoarthritis classification, indicating the feasibility of subchondral bone microstructural analysis based on CT images.

Yuqi Hu, Vasha DuTell, Ahna R. Girshick et al.

The classic duck-rabbit illusion reveals that when visual evidence is ambiguous, the human brain must decide what it sees. But where exactly do human observers draw the line between ''duck'' and ''rabbit'', and do machine classifiers draw it in the same place? We use semantically ambiguous images as interpretability probes to expose how vision models represent the boundaries between concepts. We present a psychophysically-informed framework that interpolates between concepts in the CLIP embedding space to generate continuous spectra of ambiguous images, allowing us to precisely measure where and how humans and machine classifiers place their semantic boundaries. Using this framework, we show that machine classifiers are more biased towards seeing ''rabbit'', whereas humans are more aligned with the CLIP embedding used for synthesis, and the guidance scale seems to affect human sensitivity more strongly than machine classifiers. Our framework demonstrates how controlled ambiguity can serve as a diagnostic tool to bridge the gap between human psychophysical analysis, image classification, and generative image models, offering insight into human-model alignment, robustness, model interpretability, and image synthesis methods.

Yuqi Hu, Qiwen Xiong, Zhenzhen Qin et al.

Patient safety training is essential for preparing healthcare professionals to identify, investigate, and prevent adverse events. However, conventional simulation-based approaches often require substantial faculty time, physical resources, and standardized facilitation. This paper presents a prototype AI-powered simulation platform designed to support more scalable patient safety training through root cause analysis (RCA). The system provides a Unity-based 3D simulation environment, which allows trainees to investigate an ICU adverse event by interviewing five virtual team members represented as AI-powered avatars. Each avatar is driven by a large language model (LLM) agent with role-specific knowledge and variable states of mind. Moreover, emotional text-to-speech and AI-supported facial and body animation enable more realistic and immersive interactions. After completing the simulation, trainees submit a written RCA report and receive rubric-guided formative and summative feedback automatically generated by an LLM-based assessment component. The prototype is built to support patient safety training for healthcare professionals, focusing on skills in communication, investigation, thinking, and analysis, with low recurring instructional burden. We describe the design of the platform, its core technical components, and an RCA case based on a published ICU scenario. This work demonstrates the feasibility of integrating generative AI into immersive simulation for scalable patient safety education.

Yuqi Hu, Longguang Wang, Xian Liu et al.

Understanding and replicating the real world is a critical challenge in Artificial General Intelligence (AGI) research. To achieve this, many existing approaches, such as world models, aim to capture the fundamental principles governing the physical world, enabling more accurate simulations and meaningful interactions. However, current methods often treat different modalities, including 2D (images), videos, 3D, and 4D representations, as independent domains, overlooking their interdependencies. Additionally, these methods typically focus on isolated dimensions of reality without systematically integrating their connections. In this survey, we present a unified survey for multimodal generative models that investigate the progression of data dimensionality in real-world simulation. Specifically, this survey starts from 2D generation (appearance), then moves to video (appearance+dynamics) and 3D generation (appearance+geometry), and finally culminates in 4D generation that integrate all dimensions. To the best of our knowledge, this is the first attempt to systematically unify the study of 2D, video, 3D and 4D generation within a single framework. To guide future research, we provide a comprehensive review of datasets, evaluation metrics and future directions, and fostering insights for newcomers. This survey serves as a bridge to advance the study of multimodal generative models and real-world simulation within a unified framework.

Shihan Fu, Bingsheng Yao, Smit Desai et al.

Older adult patients constitute a rapidly growing subgroup of Intensive Care Unit (ICU) patients. In these situations, their family caregivers are expected to represent the unconscious patients to access and interpret patients' medical information. However, caregivers currently have to rely on overloaded clinicians for information updates and typically lack the health literacy to understand complex medical information. Our project aims to explore the information needs of caregivers of ICU older adult patients, from which we can propose design opportunities to guide future AI systems. The project begins with formative interviews with 11 caregivers to identify their challenges in accessing and interpreting medical information; From these findings, we then synthesize design requirements and propose an AI system prototype to cope with caregivers' challenges. The system prototype has two key features: a timeline visualization to show the AI extracted and summarized older adult patients' key medical events; and an LLM-based chatbot to provide context-aware informational support. We conclude our paper by reporting on the follow-up user evaluation of the system and discussing future AI-based systems for ICU caregivers of older adults.