Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent VariablesHuarui He, Jie Wang, Yunfei Liu et al.
Single-step retrosynthesis is the cornerstone of retrosynthesis planning, which is a crucial task for computer-aided drug discovery. The goal of single-step retrosynthesis is to identify the possible reactants that lead to the synthesis of the target product in one reaction. By representing organic molecules as canonical strings, existing sequence-based retrosynthetic methods treat the product-to-reactant retrosynthesis as a sequence-to-sequence translation problem. However, most of them struggle to identify diverse chemical reactions for a desired product due to the deterministic inference, which contradicts the fact that many compounds can be synthesized through various reaction types with different sets of reactants. In this work, we aim to increase reaction diversity and generate various reactants using discrete latent variables. We propose a novel sequence-based approach, namely RetroDVCAE, which incorporates conditional variational autoencoders into single-step retrosynthesis and associates discrete latent variables with the generation process. Specifically, RetroDVCAE uses the Gumbel-Softmax distribution to approximate the categorical distribution over potential reactions and generates multiple sets of reactants with the variational decoder. Experiments demonstrate that RetroDVCAE outperforms state-of-the-art baselines on both benchmark dataset and homemade dataset. Both quantitative and qualitative results show that RetroDVCAE can model the multi-modal distribution over reaction types and produce diverse reactant candidates.
2.6CVSep 25, 2022
Discriminative feature encoding for intrinsic image decompositionZongji Wang, Yunfei Liu, Feng Lu
Intrinsic image decomposition is an important and long-standing computer vision problem. Given an input image, recovering the physical scene properties is ill-posed. Several physically motivated priors have been used to restrict the solution space of the optimization problem for intrinsic image decomposition. This work takes advantage of deep learning, and shows that it can solve this challenging computer vision problem with high efficiency. The focus lies in the feature encoding phase to extract discriminative features for different intrinsic layers from an input image. To achieve this goal, we explore the distinctive characteristics of different intrinsic components in the high dimensional feature embedding space. We define feature distribution divergence to efficiently separate the feature vectors of different intrinsic components. The feature distributions are also constrained to fit the real ones through a feature distribution consistency. In addition, a data refinement approach is provided to remove data inconsistency from the Sintel dataset, making it more suitable for intrinsic image decomposition. Our method is also extended to intrinsic video decomposition based on pixel-wise correspondences between adjacent frames. Experimental results indicate that our proposed network structure can outperform the existing state-of-the-art.
7.3CVOct 5, 2022
Jitter Does Matter: Adapting Gaze Estimation to New DomainsRuicong Liu, Yiwei Bao, Mingjie Xu et al.
Deep neural networks have demonstrated superior performance on appearance-based gaze estimation tasks. However, due to variations in person, illuminations, and background, performance degrades dramatically when applying the model to a new domain. In this paper, we discover an interesting gaze jitter phenomenon in cross-domain gaze estimation, i.e., the gaze predictions of two similar images can be severely deviated in target domain. This is closely related to cross-domain gaze estimation tasks, but surprisingly, it has not been noticed yet previously. Therefore, we innovatively propose to utilize the gaze jitter to analyze and optimize the gaze domain adaptation task. We find that the high-frequency component (HFC) is an important factor that leads to jitter. Based on this discovery, we add high-frequency components to input images using the adversarial attack and employ contrastive learning to encourage the model to obtain similar representations between original and perturbed data, which reduces the impacts of HFC. We evaluate the proposed method on four cross-domain gaze estimation tasks, and experimental results demonstrate that it significantly reduces the gaze jitter and improves the gaze estimation performance in target domains.
7.6CVJun 20, 2023
Audio-Driven 3D Facial Animation from In-the-Wild VideosLiying Lu, Tianke Zhang, Yunfei Liu et al.
Given an arbitrary audio clip, audio-driven 3D facial animation aims to generate lifelike lip motions and facial expressions for a 3D head. Existing methods typically rely on training their models using limited public 3D datasets that contain a restricted number of audio-3D scan pairs. Consequently, their generalization capability remains limited. In this paper, we propose a novel method that leverages in-the-wild 2D talking-head videos to train our 3D facial animation model. The abundance of easily accessible 2D talking-head videos equips our model with a robust generalization capability. By combining these videos with existing 3D face reconstruction methods, our model excels in generating consistent and high-fidelity lip synchronization. Additionally, our model proficiently captures the speaking styles of different individuals, allowing it to generate 3D talking-heads with distinct personal styles. Extensive qualitative and quantitative experimental results demonstrate the superiority of our method.
1.5CVAug 1, 2023
Visibility Enhancement for Low-light Hazy ScenariosChaoqun Zhuang, Yunfei Liu, Sijia Wen et al.
Low-light hazy scenes commonly appear at dusk and early morning. The visual enhancement for low-light hazy images is an ill-posed problem. Even though numerous methods have been proposed for image dehazing and low-light enhancement respectively, simply integrating them cannot deliver pleasing results for this particular task. In this paper, we present a novel method to enhance visibility for low-light hazy scenarios. To handle this challenging task, we propose two key techniques, namely cross-consistency dehazing-enhancement framework and physically based simulation for low-light hazy dataset. Specifically, the framework is designed for enhancing visibility of the input image via fully utilizing the clues from different sub-tasks. The simulation is designed for generating the dataset with ground-truths by the proposed low-light hazy imaging model. The extensive experimental results show that the proposed method outperforms the SOTA solutions on different metrics including SSIM (9.19%) and PSNR(5.03%). In addition, we conduct a user study on real images to demonstrate the effectiveness and necessity of the proposed method by human visual perception.
23.3CVMar 11, 2025
HRAvatar: High-Quality and Relightable Gaussian Head AvatarDongbin Zhang, Yunfei Liu, Lijian Lin et al.
Reconstructing animatable and high-quality 3D head avatars from monocular videos, especially with realistic relighting, is a valuable task. However, the limited information from single-view input, combined with the complex head poses and facial movements, makes this challenging. Previous methods achieve real-time performance by combining 3D Gaussian Splatting with a parametric head model, but the resulting head quality suffers from inaccurate face tracking and limited expressiveness of the deformation model. These methods also fail to produce realistic effects under novel lighting conditions. To address these issues, we propose HRAvatar, a 3DGS-based method that reconstructs high-fidelity, relightable 3D head avatars. HRAvatar reduces tracking errors through end-to-end optimization and better captures individual facial deformations using learnable blendshapes and learnable linear blend skinning. Additionally, it decomposes head appearance into several physical properties and incorporates physically-based shading to account for environmental lighting. Extensive experiments demonstrate that HRAvatar not only reconstructs superior-quality heads but also achieves realistic visual effects under varying lighting conditions.
17.4CVMay 6, 2025
GUAVA: Generalizable Upper Body 3D Gaussian AvatarDongbin Zhang, Yunfei Liu, Lijian Lin et al.
Reconstructing a high-quality, animatable 3D human avatar with expressive facial and hand motions from a single image has gained significant attention due to its broad application potential. 3D human avatar reconstruction typically requires multi-view or monocular videos and training on individual IDs, which is both complex and time-consuming. Furthermore, limited by SMPLX's expressiveness, these methods often focus on body motion but struggle with facial expressions. To address these challenges, we first introduce an expressive human model (EHM) to enhance facial expression capabilities and develop an accurate tracking method. Based on this template model, we propose GUAVA, the first framework for fast animatable upper-body 3D Gaussian avatar reconstruction. We leverage inverse texture mapping and projection sampling techniques to infer Ubody (upper-body) Gaussians from a single image. The rendered images are refined through a neural refiner. Experimental results demonstrate that GUAVA significantly outperforms previous methods in rendering quality and offers significant speed improvements, with reconstruction times in the sub-second range (0.1s), and supports real-time animation and rendering.
6.2CVJan 7, 2025
Exploring Iterative Manifold Constraint for Zero-shot Image EditingMaomao Li, Yu Li, Yunfei Liu et al.
Editability and fidelity are two essential demands for text-driven image editing, which expects that the editing area should align with the target prompt and the rest remain unchanged separately. The current cutting-edge editing methods usually obey an "inversion-then-editing" pipeline, where the input image is inverted to an approximate Gaussian noise ${z}_T$, based on which a sampling process is conducted using the target prompt. Nevertheless, we argue that it is not a good choice to use a near-Gaussian noise as a pivot for further editing since it would bring plentiful fidelity errors. We verify this by a pilot analysis, discovering that intermediate-inverted latents can achieve a better trade-off between editability and fidelity than the fully-inverted ${z}_T$. Based on this, we propose a novel zero-shot editing paradigm dubbed ZZEdit, which first locates a qualified intermediate-inverted latent marked as ${z}_p$ as a better editing pivot, which is sufficient-for-editing while structure-preserving. Then, a ZigZag process is designed to execute denoising and inversion alternately, which progressively inject target guidance to ${z}_p$ while preserving the structure information of $p$ step. Afterwards, to achieve the same step number of inversion and denoising, we execute a pure sampling process under the target prompt. Essentially, our ZZEdit performs iterative manifold constraint between the manifold of $M_{p}$ and $M_{p-1}$, leading to fewer fidelity errors. Extensive experiments highlight the effectiveness of ZZEdit in diverse image editing scenarios compared with the "inversion-then-editing" pipeline.
Revealing Hierarchical Structure of Leaf Venations in Plant Science via Label-Efficient Segmentation: Dataset and MethodWeizhen Liu, Ao Li, Ze Wu et al.
Hierarchical leaf vein segmentation is a crucial but under-explored task in agricultural sciences, where analysis of the hierarchical structure of plant leaf venation can contribute to plant breeding. While current segmentation techniques rely on data-driven models, there is no publicly available dataset specifically designed for hierarchical leaf vein segmentation. To address this gap, we introduce the HierArchical Leaf Vein Segmentation (HALVS) dataset, the first public hierarchical leaf vein segmentation dataset. HALVS comprises 5,057 real-scanned high-resolution leaf images collected from three plant species: soybean, sweet cherry, and London planetree. It also includes human-annotated ground truth for three orders of leaf veins, with a total labeling effort of 83.8 person-days. Based on HALVS, we further develop a label-efficient learning paradigm that leverages partial label information, i.e. missing annotations for tertiary veins. Empirical studies are performed on HALVS, revealing new observations, challenges, and research directions on leaf vein segmentation.
GPAvatar: Generalizable and Precise Head Avatar from Image(s)Xuangeng Chu, Yu Li, Ailing Zeng et al.
Head avatar reconstruction, crucial for applications in virtual reality, online meetings, gaming, and film industries, has garnered substantial attention within the computer vision community. The fundamental objective of this field is to faithfully recreate the head avatar and precisely control expressions and postures. Existing methods, categorized into 2D-based warping, mesh-based, and neural rendering approaches, present challenges in maintaining multi-view consistency, incorporating non-facial information, and generalizing to new identities. In this paper, we propose a framework named GPAvatar that reconstructs 3D head avatars from one or several images in a single forward pass. The key idea of this work is to introduce a dynamic point-based expression field driven by a point cloud to precisely and effectively capture expressions. Furthermore, we use a Multi Tri-planes Attention (MTA) fusion module in the tri-planes canonical field to leverage information from multiple input images. The proposed method achieves faithful identity reconstruction, precise expression control, and multi-view consistency, demonstrating promising results for free-viewpoint rendering and novel view synthesis.
A Video is Worth 256 Bases: Spatial-Temporal Expectation-Maximization Inversion for Zero-Shot Video EditingMaomao Li, Yu Li, Tianyu Yang et al.
This paper presents a video inversion approach for zero-shot video editing, which models the input video with low-rank representation during the inversion process. The existing video editing methods usually apply the typical 2D DDIM inversion or naive spatial-temporal DDIM inversion before editing, which leverages time-varying representation for each frame to derive noisy latent. Unlike most existing approaches, we propose a Spatial-Temporal Expectation-Maximization (STEM) inversion, which formulates the dense video feature under an expectation-maximization manner and iteratively estimates a more compact basis set to represent the whole video. Each frame applies the fixed and global representation for inversion, which is more friendly for temporal consistency during reconstruction and editing. Extensive qualitative and quantitative experiments demonstrate that our STEM inversion can achieve consistent improvement on two state-of-the-art video editing methods. Project page: https://stem-inv.github.io/page/.
1.4CVDec 21, 2021
Cloud Sphere: A 3D Shape Representation via Progressive DeformationZongji Wang, Yunfei Liu, Feng Lu
In the area of 3D shape analysis, the geometric properties of a shape have long been studied. Instead of directly extracting representative features using expert-designed descriptors or end-to-end deep neural networks, this paper is dedicated to discovering distinctive information from the shape formation process. Concretely, a spherical point cloud served as the template is progressively deformed to fit the target shape in a coarse-to-fine manner. During the shape formation process, several checkpoints are inserted to facilitate recording and investigating the intermediate stages. For each stage, the offset field is evaluated as a stage-aware description. The summation of the offsets throughout the shape formation process can completely define the target shape in terms of geometry. In this perspective, one can derive the point-wise shape correspondence from the template inexpensively, which benefits various graphic applications. In this paper, the Progressive Deformation-based Auto-Encoder (PDAE) is proposed to learn the stage-aware description through a coarse-to-fine shape fitting task. Experimental results show that the proposed PDAE has the ability to reconstruct 3D shapes with high fidelity, and consistent topology is preserved in the multi-stage deformation process. Additional applications based on the stage-aware description are performed, demonstrating its universality.
Separating Content and Style for Unsupervised Image-to-Image TranslationYunfei Liu, Haofei Wang, Yang Yue et al.
Unsupervised image-to-image translation aims to learn the mapping between two visual domains with unpaired samples. Existing works focus on disentangling domain-invariant content code and domain-specific style code individually for multimodal purposes. However, less attention has been paid to interpreting and manipulating the translated image. In this paper, we propose to separate the content code and style code simultaneously in a unified framework. Based on the correlation between the latent features and the high-level domain-invariant tasks, the proposed framework demonstrates superior performance in multimodal translation, interpretability and manipulation of the translated image. Experimental results show that the proposed approach outperforms the existing unsupervised image translation methods in terms of visual quality and diversity.