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.

Yuehua Hu, Jiyeong Kong, Dong-yeol Shin et al.

The efficacy of Artificial Intelligence (AI) in micro/nano manufacturing is fundamentally constrained by the scarcity of high-quality and physically grounded training data for defect inspection. Lithography defect data from semiconductor industry are rarely accessible for research use, resulting in a shortage of publicly available datasets. To address this bottleneck in lithography, this study proposes a novel methodology for generating large-scale, physically valid defect datasets with pixel-level annotations. The framework begins with the ab initio synthesis of defect layouts using controllable, physics-constrained mathematical morphology operations (erosion and dilation) applied to the original design-level layout. These synthesized layouts, together with their defect-free counterparts, are fabricated into physical samples via high-fidelity digital micromirror device (DMD)-based lithography. Optical micrographs of the synthesized defect samples and their defect-free references are then compared to create consistent defect delineation annotations. Using this methodology, we constructed a comprehensive dataset of 3,530 Optical micrographs containing 13,365 annotated defect instances including four classes: bridge, burr, pinch, and contamination. Each defect instance is annotated with a pixel-accurate segmentation mask, preserving full contour and geometry. The segmentation-based Mask R-CNN achieves AP@0.5 of 0.980, 0.965, and 0.971, compared with 0.740, 0.719, and 0.717 for Faster R-CNN on bridge, burr, and pinch classes, representing a mean AP@0.5 improvement of approximately 34%. For the contamination class, Mask R-CNN achieves an AP@0.5 roughly 42% higher than Faster R-CNN. These consistent gains demonstrate that our proposed methodology to generate defect datasets with pixel-level annotations is feasible for robust AI-based Measurement/Inspection (MI) in semiconductor fabrication.

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.