Peng Tu

Kaihui Cheng, Zhiqiang Cai, Peng Tu et al.

Proteins function through coordinated motion across multiple spatial and temporal scales, underpinning processes such as ligand binding, allostery, and catalysis. However, accessing long-timescale conformational change through molecular dynamics (MD) simulations remains prohibitively expensive for systematic exploration across diverse systems. Here, we present DyneTrion, a generative protein dynamics emulator that jointly enforces geometric symmetry, structural consistency and temporal coherence within a single framework. DyneTrion uses a tri-attention architecture that integrates invariant point attention (IPA) for SE(3)-robust geometric updates, spatial attention anchored to a reference conformation to preserve structural integrity, and temporal attention to model correlated evolution across time frames. Across 100-ns MD trajectory simulation benchmarks, DyneTrion reproduces MD-derived flexibility, ensemble distributions and interaction observables while maintaining stereochemical validity during extrapolation. To evaluate long time-scale generalization, we introduce dynamicPDB, a dataset of over 10,000 proteins with up to 1-$μ$s all-atom trajectories at 10-ps resolution and accompanying physical annotations. On microsecond trajectories, DyneTrion preserves free-energy landscapes and metastable-state populations, and it supports large conformational propagation in apo-to-holo transitions and fast folders. Together, DyneTrion provides a scalable path from static structure prediction toward time-resolved, ensemble-faithful protein modeling. The code is publicly available at https://github.com/fudan-generative-vision/DyneTrion

Ping Chen, Xingpeng Zhang, Chengtao Zhou et al.

Convolution neural network is successful in pervasive vision tasks, including label distribution learning, which usually takes the form of learning an injection from the non-linear visual features to the well-defined labels. However, how the discrepancy between features is mapped to the label discrepancy is ambient, and its correctness is not guaranteed.To address these problems, we study the mathematical connection between feature and its label, presenting a general and simple framework for label distribution learning. We propose a so-called Triangular Distribution Transform (TDT) to build an injective function between feature and label, guaranteeing that any symmetric feature discrepancy linearly reflects the difference between labels. The proposed TDT can be used as a plug-in in mainstream backbone networks to address different label distribution learning tasks. Experiments on Facial Age Recognition, Illumination Chromaticity Estimation, and Aesthetics assessment show that TDT achieves on-par or better results than the prior arts.

Peng Tu, Yawen Huang, Rongrong Ji et al.

Semi-supervised learning is a challenging problem which aims to construct a model by learning from a limited number of labeled examples. Numerous methods have been proposed to tackle this problem, with most focusing on utilizing the predictions of unlabeled instances consistency alone to regularize networks. However, treating labeled and unlabeled data separately often leads to the discarding of mass prior knowledge learned from the labeled examples, and failure to mine the feature interaction between the labeled and unlabeled image pairs. In this paper, we propose a novel method for semi-supervised semantic segmentation named GuidedMix-Net, by leveraging labeled information to guide the learning of unlabeled instances. Specifically, we first introduce a feature alignment objective between labeled and unlabeled data to capture potentially similar image pairs and then generate mixed inputs from them. The proposed mutual information transfer (MITrans), based on the cluster assumption, is shown to be a powerful knowledge module for further progressive refining features of unlabeled data in the mixed data space. To take advantage of the labeled examples and guide unlabeled data learning, we further propose a mask generation module to generate high-quality pseudo masks for the unlabeled data. Along with supervised learning for labeled data, the prediction of unlabeled data is jointly learned with the generated pseudo masks from the mixed data. Extensive experiments on PASCAL VOC 2012, PASCAL-Context and Cityscapes demonstrate the effectiveness of our GuidedMix-Net, which achieves competitive segmentation accuracy and significantly improves the mIoU by +7$\%$ compared to previous state-of-the-art approaches.