Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes.

Deep learning based 3D shape generation methods generally utilize latent features extracted from color images to encode the semantics of objects and guide the shape generation process. These color image semantics only implicitly encode 3D information, potentially limiting the accuracy of the generated shapes. In this paper we propose a multi-view mesh generation method which incorporates geometry information explicitly by using the features from intermediate depth representations of multi-view stereo and regularizing the 3D shapes against these depth images. First, our system predicts a coarse 3D volume from the color images by probabilistically merging voxel occupancy grids from the prediction of individual views. Then the depth images from multi-view stereo along with the rendered depth images of the coarse shape are used as a contrastive input whose features guide the refinement of the coarse shape through a series of graph convolution networks. Notably, we achieve superior results than state-of-the-art multi-view shape generation methods with 34% decrease in Chamfer distance to ground truth and 14% increase in F1-score on ShapeNet dataset.

Sketches in existing large-scale datasets like the recent QuickDraw collection are often stored in a vector format, with strokes consisting of sequentially sampled points. However, most existing sketch recognition methods rasterize vector sketches as binary images and then adopt image classification techniques. In this article, we propose a novel end-to-end single-branch network architecture RNN-Rasterization-CNN (Sketch-R2CNN for short) to fully leverage the vector format of sketches for recognition. Sketch-R2CNN takes a vector sketch as input and uses an RNN for extracting per-point features in the vector space. We then develop a neural line rasterization module to convert the vector sketch and the per-point features to multi-channel point feature maps, which are subsequently fed to a CNN for extracting convolutional features in the pixel space. Our neural line rasterization module is designed in a differentiable way for end-to-end learning. We perform experiments on existing large-scale sketch recognition datasets and show that the RNN-Rasterization design brings consistent improvement over CNN baselines and that Sketch-R2CNN substantially outperforms the state-of-the-art methods.

Creating sketch animations using traditional tools requires special artistic skills, and is tedious even for trained professionals. To lower the barrier for creating sketch animations, we propose a new system, emphLive Sketch, which allows novice users to interactively bring static drawings to life by applying deformation-based animation effects that are extracted from video examples. Dynamic deformation is first extracted as a sparse set of moving control points from videos and then transferred to a static drawing. Our system addresses a few major technical challenges, such as motion extraction from video, video-to-sketch alignment, and many-to-one motion-driven sketch animation. While each of the sub-problems could be difficult to solve fully automatically, we present reliable solutions by combining new computational algorithms with intuitive user interactions. Our pilot study shows that our system allows both users with or without animation skills to easily add dynamic deformation to static drawings.

In this work we introduce 2D-Dragger, a unified touch-based target acquisition technique that enables easy access to small targets in dense regions or distant targets on screens of various sizes. The effective width of a target is constant with our tool, allowing a fixed scale of finger movement for capturing a new target. Our tool is thus insensitive to the distribution and size of the selectable targets, and consistently works well for screens of different sizes, from mobile to wall-sized screens. Our user studies show that overall 2D-Dragger performs the best compared to the state-of-the-art techniques for selecting both near and distant targets of various sizes in different densities.

Reconstructed building models using stereo-based methods inevitably suffer from noise, leading to the lack of regularity which is characterized by straightness of structural linear features and smoothness of homogeneous regions. We leverage the structural linear features embedded in the mesh to construct a novel surface scaffold structure for model regularization. The regularization comprises two iterative stages: (1) the linear features are semi-automatically proposed from images by exploiting photometric and geometric clues jointly; (2) the scaffold topology represented by spatial relations among the linear features is optimized according to data fidelity and topological rules, then the mesh is refined by adjusting itself to the consolidated scaffold. Our method has two advantages. First, the proposed scaffold representation is able to concisely describe semantic building structures. Second, the scaffold structure is embedded in the mesh, which can preserve the mesh connectivity and avoid stitching or intersecting surfaces in challenging cases. We demonstrate that our method can enhance structural characteristics and suppress irregularities in the building models robustly in some challenging datasets. Moreover, the regularization can significantly improve the results of general applications such as simplification and non-photorealistic rendering.

We present a new image-guided drawing interface called EZ-Sketching , which uses a tracing paradigm and automatically corrects sketch lines roughly traced over an image by analyzing and utilizing the image features being traced. While previous edge snapping methods aim at optimizing individual strokes, we show that a co-analysis of multiple roughly placed nearby strokes better captures the user's intent. We formulate automatic sketch improvement as a three-level optimization problem and present an efficient solution to it. EZ-Sketching can tolerate errors from various sources such as indirect control and inherently inaccurate input, and works well for sketching on touch devices with small screens using fingers. Our user study confirms that the drawings our approach helped generate show closer resemblance to the traced images, and are often aesthetically more pleasing.