Jin Han

Zhe Zheng, Jin Han, Ke-Yin Chen et al.

Translating clauses into executable code is a vital stage of automated rule checking (ARC) and is essential for effective building design compliance checking, particularly for rules with implicit properties or complex logic requiring domain knowledge. Thus, by systematically analyzing building clauses, 66 atomic functions are defined first to encapsulate common computational logics. Then, LLM-FuncMapper is proposed, a large language model (LLM)-based approach with rule-based adaptive prompts that match clauses to atomic functions. Finally, executable code is generated by composing functions through the LLMs. Experiments show LLM-FuncMapper outperforms fine-tuning methods by 19% in function matching while significantly reducing manual annotation efforts. Case study demonstrates that LLM-FuncMapper can automatically compose multiple atomic functions to generate executable code, boosting rule-checking efficiency. To our knowledge, this research represents the first application of LLMs for interpreting complex design clauses into executable code, which may shed light on further adoption of LLMs in the construction domain.

Zheng Chen, Ruofan Yang, Jin Han et al.

Diffusion-based models have shown strong performance in video super-resolution (VSR) and video frame interpolation (VFI). However, their role in the coupled space-time video super-resolution (STVSR) setting remains limited. Existing diffusion-based STVSR approaches suffer from two issues: (1) low inference efficiency and (2) insufficient utilization of spatiotemporal information. These limitations impede deployment. To address these issues, we introduce DiffST, an efficient spatiotemporal-aware video diffusion framework for real-world STVSR. To improve efficiency, we adapt a pre-trained diffusion model for one-step sampling and process the entire video directly rather than operating on individual frames. Furthermore, to enhance spatiotemporal information utilization, we introduce cross-frame context aggregation (CFCA) and video representation guidance (VRG). The CFCA module aggregates information across multiple keyframes to produce intermediate frames. The VRG module extracts video-level global features to guide the diffusion process. Extensive experiments show that DiffST obtains leading results on real-world STVSR tasks. It also maintains high inference efficiency, running about 17$\times$ faster than previous diffusion-based STVSR methods. Code is available at: https://github.com/zhengchen1999/DiffST.

Yize Jiang, Xinze Li, Yuanyuan Zhang et al.

Existing protein-ligand docking studies typically focus on the self-docking scenario, which is less practical in real applications. Moreover, some studies involve heavy frameworks requiring extensive training, posing challenges for convenient and efficient assessment of docking methods. To fill these gaps, we design PoseX, an open-source benchmark to evaluate both self-docking and cross-docking, enabling a practical and comprehensive assessment of algorithmic advances. Specifically, we curated a novel dataset comprising 718 entries for self-docking and 1,312 entries for cross-docking; second, we incorporated 23 docking methods in three methodological categories, including physics-based methods (e.g., Schrödinger Glide), AI docking methods (e.g., DiffDock) and AI co-folding methods (e.g., AlphaFold3); third, we developed a relaxation method for post-processing to minimize conformational energy and refine binding poses; fourth, we built a leaderboard to rank submitted models in real-time. We derived some key insights and conclusions from extensive experiments: (1) AI approaches have consistently outperformed physics-based methods in overall docking success rate. (2) Most intra- and intermolecular clashes of AI approaches can be greatly alleviated with relaxation, which means combining AI modeling with physics-based post-processing could achieve excellent performance. (3) AI co-folding methods exhibit ligand chirality issues, except for Boltz-1x, which introduced physics-inspired potentials to fix hallucinations, suggesting modeling on stereochemistry improves the structural plausibility markedly. (4) Specifying binding pockets significantly promotes docking performance, indicating that pocket information can be leveraged adequately, particularly for AI co-folding methods, in future modeling efforts. The code, dataset, and leaderboard are released at https://github.com/CataAI/PoseX.

Jin Han, Yun Hong, Wu-Jun Li

Virtual screening (VS) is a critical step in computer-aided drug discovery, aiming to identify molecules that bind to a specific target receptor like protein. Traditional VS methods, such as docking, are often too time-consuming for screening large-scale molecular databases. Recent advances in deep learning have demonstrated that learning vector representations for both proteins and molecules using contrastive learning can outperform traditional docking methods. However, given that target databases often contain billions of molecules, real-valued vector representations adopted by existing methods can still incur significant memory and time costs in VS. To address this problem, in this paper we propose a hashing-based contrastive learning method, called DrugHash, for VS. DrugHash treats VS as a retrieval task that uses efficient binary hash codes for retrieval. In particular, DrugHash designs a simple yet effective hashing strategy to enable end-to-end learning of binary hash codes for both protein and molecule modalities, which can dramatically reduce the memory and time costs with higher accuracy compared with existing methods. Experimental results show that DrugHash can outperform existing methods to achieve state-of-the-art accuracy, with a memory saving of 32$\times$ and a speed improvement of 3.5$\times$.

Jin Han, Xin-Zheng Lu, Jia-Rui Lin

Large Foundation Models (LFMs) have demonstrated significant advantages in civil engineering, but they primarily focus on textual and visual data, overlooking the rich semantic, spatial, and topological features in BIM (Building Information Modelling) models. Therefore, this study develops the first large-scale graph neural network (GNN), BIGNet, to learn, and reuse multidimensional design features embedded in BIM models. Firstly, a scalable graph representation is introduced to encode the "semantic-spatial-topological" features of BIM components, and a dataset with nearly 1 million nodes and 3.5 million edges is created. Subsequently, BIGNet is proposed by introducing a new message-passing mechanism to GraphMAE2 and further pretrained with a node masking strategy. Finally, BIGNet is evaluated in various transfer learning tasks for BIM-based design checking. Results show that: 1) homogeneous graph representation outperforms heterogeneous graph in learning design features, 2) considering local spatial relationships in a 30 cm radius enhances performance, and 3) BIGNet with GAT (Graph Attention Network)-based feature extraction achieves the best transfer learning results. This innovation leads to a 72.7% improvement in Average F1-score over non-pretrained models, demonstrating its effectiveness in learning and transferring BIM design features and facilitating their automated application in future design and lifecycle management.

Wenjie Li, Jinglei Shi, Jin Han et al.

Clean images are crucial for visual tasks such as small object detection, especially at high resolutions. However, real-world images are often degraded by adverse weather, and weather restoration methods may sacrifice high-frequency details critical for analyzing small objects. A natural solution is to apply super-resolution (SR) after weather removal to recover both clarity and fine structures. However, simply cascading restoration and SR struggle to bridge their inherent conflict: removal aims to remove high-frequency weather-induced noise, while SR aims to hallucinate high-frequency textures from existing details, leading to inconsistent restoration contents. In this paper, we take deraining as a case study and propose DHGM, a Diffusion-based High-frequency Guided Model for generating clean and high-resolution images. DHGM integrates pre-trained diffusion priors with high-pass filters to simultaneously remove rain artifacts and enhance structural details. Extensive experiments demonstrate that DHGM achieves superior performance over existing methods, with lower costs.

Jin Han, Tianfan Fu, Wu-Jun Li

Protein inverse folding, the design of an amino acid sequence based on a target 3D structure, is a fundamental problem of computational protein engineering. Existing methods either generate sequences without leveraging external knowledge or relying on protein language models (PLMs). The former omits the evolutionary information stored in protein databases, while the latter is parameter-inefficient and inflexible to adapt to ever-growing protein data. To overcome the above drawbacks, in this paper we propose a novel method, called retrieval-augmented denoising diffusion (RadDiff), for protein inverse folding. Given the target protein backbone, RadDiff uses a hierarchical search strategy to efficiently retrieve structurally similar proteins from large protein databases. The retrieved structures are then aligned residue-by-residue to the target to construct a position-specific amino acid profile, which serves as an evolutionary-informed prior that conditions the denoising process. A lightweight integration module is further designed to incorporate this prior effectively. Experimental results on the CATH, PDB, and TS50 datasets show that RadDiff consistently outperforms existing methods, improving sequence recovery rate by up to 19%. Experimental results also demonstrate that RadDiff generates highly foldable sequences and scales effectively with database size.

Jin Han, Zhe Zheng, Yi Gu et al.

Evacuation simulation is essential for building safety design, ensuring properly planned evacuation routes. However, traditional evacuation simulation relies heavily on refined modeling with extensive parameters, making it challenging to adopt such methods in a rapid iteration process in early design stages. Thus, this study proposes DiffEvac, a novel method to learn building evacuation patterns based on Generative Models (GMs), for efficient evacuation simulation and enhanced safety design. Initially, a dataset of 399 diverse functional layouts and corresponding evacuation heatmaps of buildings was established. Then, a decoupled feature representation is proposed to embed physical features like layouts and occupant density for GMs. Finally, a diffusion model based on image prompts is proposed to learn evacuation patterns from simulated evacuation heatmaps. Compared to existing research using Conditional GANs with RGB representation, DiffEvac achieves up to a 37.6% improvement in SSIM, 142% in PSNR, and delivers results 16 times faster, thereby cutting simulation time to 2 minutes. Case studies further demonstrate that the proposed method not only significantly enhances the rapid design iteration and adjustment process with efficient evacuation simulation but also offers new insights and technical pathways for future safety optimization in intelligent building design. The research implication is that the approach lowers the modeling burden, enables large-scale what-if exploration, and facilitates coupling with multi-objective design tools.

Haoze Sun, Linfeng Jiang, Fan Li et al.

Real-world image super-resolution (RealSR) aims to enhance the visual quality of in-the-wild images, such as those captured by mobile phones. While existing methods leveraging large generative models demonstrate impressive results, the high computational cost and latency make them impractical for edge deployment. In this paper, we introduce PocketSR, an ultra-lightweight, single-step model that brings generative modeling capabilities to RealSR while maintaining high fidelity. To achieve this, we design LiteED, a highly efficient alternative to the original computationally intensive VAE in SD, reducing parameters by 97.5% while preserving high-quality encoding and decoding. Additionally, we propose online annealing pruning for the U-Net, which progressively shifts generative priors from heavy modules to lightweight counterparts, ensuring effective knowledge transfer and further optimizing efficiency. To mitigate the loss of prior knowledge during pruning, we incorporate a multi-layer feature distillation loss. Through an in-depth analysis of each design component, we provide valuable insights for future research. PocketSR, with a model size of 146M parameters, processes 4K images in just 0.8 seconds, achieving a remarkable speedup over previous methods. Notably, it delivers performance on par with state-of-the-art single-step and even multi-step RealSR models, making it a highly practical solution for edge-device applications.

Jin Han, Xin-Zheng Lu, Jia-Rui Lin

Building Information Modeling (BIM) has revolutionized the construction industry by providing a comprehensive digital representation of building structures throughout their lifecycle. However, existing research lacks effective methods for capturing the complex spatial and topological relationships between components in BIM models, which are essential for understanding design patterns and enhancing decision-making. This study proposes a unified network-based representation method that integrates the "semantic-spatial-topological" multi-dimensional design features of BIM models. By extending the IFC (Industry Foundation Classes) standard, we introduce local spatial relationships and topological connections between components to enrich the network structure. This representation method enables a more detailed understanding of component interactions, dependencies, and implicit design patterns, effectively capturing the semantic, topological, and spatial relationships in BIM, and holds significant potential for the representation and learning of design patterns.

Jin Han, Wu-Jun Li

Protein structure similarity search (PSSS), which tries to search proteins with similar structures, plays a crucial role across diverse domains from drug design to protein function prediction and molecular evolution. Traditional alignment-based PSSS methods, which directly calculate alignment on the protein structures, are highly time-consuming with high memory cost. Recently, alignment-free methods, which represent protein structures as fixed-length real-valued vectors, are proposed for PSSS. Although these methods have lower time and memory cost than alignment-based methods, their time and memory cost is still too high for large-scale PSSS, and their accuracy is unsatisfactory. In this paper, we propose a novel method, called $\underline{\text{p}}$r$\underline{\text{o}}$tein $\underline{\text{s}}$tructure $\underline{\text{h}}$ashing (POSH), for PSSS. POSH learns a binary vector representation for each protein structure, which can dramatically reduce the time and memory cost for PSSS compared with real-valued vector representation based methods. Furthermore, in POSH we also propose expressive hand-crafted features and a structure encoder to well model both node and edge interactions in proteins. Experimental results on real datasets show that POSH can outperform other methods to achieve state-of-the-art accuracy. Furthermore, POSH achieves a memory saving of more than six times and speed improvement of more than four times, compared with other methods.

Jin Han, Zhe Zheng, Xin-Zheng Lu et al.

Social media aids disaster response but suffers from noise, hindering accurate impact assessment and decision making for resilient cities, which few studies considered. To address the problem, this study proposes the first domain-specific LLM model and an integrated method for rapid earthquake impact assessment. First, a few categories are introduced to classify and filter microblogs considering their relationship to the physical and social impacts of earthquakes, and a dataset comprising 7282 earthquake-related microblogs from twenty earthquakes in different locations is developed as well. Then, with a systematic analysis of various influential factors, QuakeBERT, a domain-specific large language model (LLM), is developed and fine-tuned for accurate classification and filtering of microblogs. Meanwhile, an integrated method integrating public opinion trend analysis, sentiment analysis, and keyword-based physical impact quantification is introduced to assess both the physical and social impacts of earthquakes based on social media texts. Experiments show that data diversity and data volume dominate the performance of QuakeBERT and increase the macro average F1 score by 27%, while the best classification model QuakeBERT outperforms the CNN- or RNN-based models by improving the macro average F1 score from 60.87% to 84.33%. Finally, the proposed approach is applied to assess two earthquakes with the same magnitude and focal depth. Results show that the proposed approach can effectively enhance the impact assessment process by accurate detection of noisy microblogs, which enables effective post-disaster emergency responses to create more resilient cities.

Junyan Wu, Hao Jiang, Xiaowei Ding et al.

Skin conditions are reported the 4th leading cause of nonfatal disease burden worldwide. However, given the colossal spectrum of skin disorders defined clinically and shortage in dermatology expertise, diagnosing skin conditions in a timely and accurate manner remains a challenging task. Using computer vision technologies, a deep learning system has proven effective assisting clinicians in image diagnostics of radiology, ophthalmology and more. In this paper, we propose a deep learning system (DLS) that may predict differential diagnosis of skin conditions using clinical images. Our DLS formulates the differential diagnostics as a multi-label classification task over 80 conditions when only incomplete image labels are available. We tackle the label incompleteness problem by combining a classification network with a Graph Convolutional Network (GCN) that characterizes label co-occurrence and effectively regularizes it towards a sparse representation. Our approach is demonstrated on 136,462 clinical images and concludes that the classification accuracy greatly benefit from the Co-occurrence supervision. Our DLS achieves 93.6% top-5 accuracy on 12,378 test images and consistently outperform the baseline classification network.