Jiahui Zhang

Yifei Zhu, Jiahui Zhang, Jiawei Peng et al.

Obtaining 3D conformations of realistic polyatomic molecules at the quantum chemistry level remains challenging, and although recent machine learning advances offer promise, predicting large-molecule structures still requires substantial computational effort. Here, we introduce StoL, a diffusion model-based framework that enables rapid and knowledge-free generation of large molecular structures from small-molecule data. Remarkably, StoL assembles molecules in a LEGO-style fashion from scratch, without seeing the target molecules or any structures of comparable size during training. Given a SMILES input, it decomposes the molecule into chemically valid fragments, generates their 3D structures with a diffusion model trained on small molecules, and assembles them into diverse conformations. This fragment-based strategy eliminates the need for large-molecule training data while maintaining high scalability and transferability. By embedding chemical principles into key steps, StoL ensures faster convergence, chemically rational structures, and broad configurational coverage, as confirmed against DFT calculations.

Jiahui Zhang, Hao Zhao, Anbang Yao et al.

We introduce Spatial Group Convolution (SGC) for accelerating the computation of 3D dense prediction tasks. SGC is orthogonal to group convolution, which works on spatial dimensions rather than feature channel dimension. It divides input voxels into different groups, then conducts 3D sparse convolution on these separated groups. As only valid voxels are considered when performing convolution, computation can be significantly reduced with a slight loss of accuracy. The proposed operations are validated on semantic scene completion task, which aims to predict a complete 3D volume with semantic labels from a single depth image. With SGC, we further present an efficient 3D sparse convolutional network, which harnesses a multiscale architecture and a coarse-to-fine prediction strategy. Evaluations are conducted on the SUNCG dataset, achieving state-of-the-art performance and fast speed. Code is available at https://github.com/zjhthu/SGC-Release.git

Jiahui Zhang, Yurui Chen, Yanpeng Zhou et al.

Recent advances in LVLMs have improved vision-language understanding, but they still struggle with spatial perception, limiting their ability to reason about complex 3D scenes. Unlike previous approaches that incorporate 3D representations into models to improve spatial understanding, we aim to unlock the potential of VLMs by leveraging spatially relevant image data. To this end, we introduce a novel 2D spatial data generation and annotation pipeline built upon scene data with 3D ground-truth. This pipeline enables the creation of a diverse set of spatial tasks, ranging from basic perception tasks to more complex reasoning tasks. Leveraging this pipeline, we construct SPAR-7M, a large-scale dataset generated from thousands of scenes across multiple public datasets. In addition, we introduce SPAR-Bench, a benchmark designed to offer a more comprehensive evaluation of spatial capabilities compared to existing spatial benchmarks, supporting both single-view and multi-view inputs. Training on both SPAR-7M and large-scale 2D datasets enables our models to achieve state-of-the-art performance on 2D spatial benchmarks. Further fine-tuning on 3D task-specific datasets yields competitive results, underscoring the effectiveness of our dataset in enhancing spatial reasoning.

Lifan Jiang, Boxi Wu, Jiahui Zhang et al.

With the rapid development of AIGC technology, significant progress has been made in diffusion model-based technologies for text-to-image (T2I) and text-to-video (T2V). In recent years, a few studies have introduced the strategy of Direct Preference Optimization (DPO) into T2I tasks, significantly enhancing human preferences in generated images. However, existing T2V generation methods lack a well-formed pipeline with exact loss function to guide the alignment of generated videos with human preferences using DPO strategies. Additionally, challenges such as the scarcity of paired video preference data hinder effective model training. At the same time, the lack of training datasets poses a risk of insufficient flexibility and poor video generation quality in the generated videos. Based on those problems, our work proposes three targeted solutions in sequence. 1) Our work is the first to introduce the DPO strategy into the T2V tasks. By deriving a carefully structured loss function, we utilize human feedback to align video generation with human preferences. We refer to this new method as HuViDPO. 2) Our work constructs small-scale human preference datasets for each action category and fine-tune this model, improving the aesthetic quality of the generated videos while reducing training costs. 3) We adopt a First-Frame-Conditioned strategy, leveraging the rich in formation from the first frame to guide the generation of subsequent frames, enhancing flexibility in video generation. At the same time, we employ a SparseCausal Attention mechanism to enhance the quality of the generated videos.More details and examples can be accessed on our website: https://tankowa.github.io/HuViDPO. github.io/.

Yueming Xu, Jiahui Zhang, Ze Huang et al.

Despite the impressive progress on understanding and generating images shown by the recent unified architectures, the integration of 3D tasks remains challenging and largely unexplored. In this paper, we introduce UniUGG, the first unified understanding and generation framework for 3D modalities. Our unified framework employs an LLM to comprehend and decode sentences and 3D representations. At its core, we propose a spatial decoder leveraging a latent diffusion model to generate high-quality 3D representations. This allows for the generation and imagination of 3D scenes based on a reference image and an arbitrary view transformation, while remaining supports for spatial visual question answering (VQA) tasks. Additionally, we propose a geometric-semantic learning strategy to pretrain the vision encoder. This design jointly captures the input's semantic and geometric cues, enhancing both spatial understanding and generation. Extensive experimental results demonstrate the superiority of our method in visual representation, spatial understanding, and 3D generation. The source code will be released upon paper acceptance.