UniMAP: Universal SMILES-Graph Representation LearningShikun Feng, Lixin Yang, Yanwen Huang et al.
Molecular representation learning is fundamental for many drug related applications. Most existing molecular pre-training models are limited in using single molecular modality, either SMILES or graph representation. To effectively leverage both modalities, we argue that it is critical to capture the fine-grained 'semantics' between SMILES and graph, because subtle sequence/graph differences may lead to contrary molecular properties. In this paper, we propose a universal SMILE-graph representation learning model, namely UniMAP. Firstly, an embedding layer is employed to obtain the token and node/edge representation in SMILES and graph, respectively. A multi-layer Transformer is then utilized to conduct deep cross-modality fusion. Specially, four kinds of pre-training tasks are designed for UniMAP, including Multi-Level Cross-Modality Masking (CMM), SMILES-Graph Matching (SGM), Fragment-Level Alignment (FLA), and Domain Knowledge Learning (DKL). In this way, both global (i.e. SGM and DKL) and local (i.e. CMM and FLA) alignments are integrated to achieve comprehensive cross-modality fusion. We evaluate UniMAP on various downstream tasks, i.e. molecular property prediction, drug-target affinity prediction and drug-drug interaction. Experimental results show that UniMAP outperforms current state-of-the-art pre-training methods.We also visualize the learned representations to demonstrate the effect of multi-modality integration.
20.2CVApr 4, 2024Code
SemGrasp: Semantic Grasp Generation via Language Aligned DiscretizationKailin Li, Jingbo Wang, Lixin Yang et al.
Generating natural human grasps necessitates consideration of not just object geometry but also semantic information. Solely depending on object shape for grasp generation confines the applications of prior methods in downstream tasks. This paper presents a novel semantic-based grasp generation method, termed SemGrasp, which generates a static human grasp pose by incorporating semantic information into the grasp representation. We introduce a discrete representation that aligns the grasp space with semantic space, enabling the generation of grasp postures in accordance with language instructions. A Multimodal Large Language Model (MLLM) is subsequently fine-tuned, integrating object, grasp, and language within a unified semantic space. To facilitate the training of SemGrasp, we have compiled a large-scale, grasp-text-aligned dataset named CapGrasp, featuring about 260k detailed captions and 50k diverse grasps. Experimental findings demonstrate that SemGrasp efficiently generates natural human grasps in alignment with linguistic intentions. Our code, models, and dataset are available publicly at: https://kailinli.github.io/SemGrasp.
ArtiBoost: Boosting Articulated 3D Hand-Object Pose Estimation via Online Exploration and SynthesisKailin Li, Lixin Yang, Xinyu Zhan et al.
Estimating the articulated 3D hand-object pose from a single RGB image is a highly ambiguous and challenging problem, requiring large-scale datasets that contain diverse hand poses, object types, and camera viewpoints. Most real-world datasets lack these diversities. In contrast, data synthesis can easily ensure those diversities separately. However, constructing both valid and diverse hand-object interactions and efficiently learning from the vast synthetic data is still challenging. To address the above issues, we propose ArtiBoost, a lightweight online data enhancement method. ArtiBoost can cover diverse hand-object poses and camera viewpoints through sampling in a Composited hand-object Configuration and Viewpoint space (CCV-space) and can adaptively enrich the current hard-discernable items by loss-feedback and sample re-weighting. ArtiBoost alternatively performs data exploration and synthesis within a learning pipeline, and those synthetic data are blended into real-world source data for training. We apply ArtiBoost on a simple learning baseline network and witness the performance boost on several hand-object benchmarks. Our models and code are available at https://github.com/lixiny/ArtiBoost.
CPF: Learning a Contact Potential Field to Model the Hand-Object InteractionLixin Yang, Xinyu Zhan, Kailin Li et al.
Modeling the hand-object (HO) interaction not only requires estimation of the HO pose, but also pays attention to the contact due to their interaction. Significant progress has been made in estimating hand and object separately with deep learning methods, simultaneous HO pose estimation and contact modeling has not yet been fully explored. In this paper, we present an explicit contact representation namely Contact Potential Field (CPF), and a learning-fitting hybrid framework namely MIHO to Modeling the Interaction of Hand and Object. In CPF, we treat each contacting HO vertex pair as a spring-mass system. Hence the whole system forms a potential field with minimal elastic energy at the grasp position. Extensive experiments on the two commonly used benchmarks have demonstrated that our method can achieve state-of-the-art in several reconstruction metrics, and allow us to produce more physically plausible HO pose even when the ground-truth exhibits severe interpenetration or disjointedness. Our code is available at https://github.com/lixiny/CPF.
HybrIK: A Hybrid Analytical-Neural Inverse Kinematics Solution for 3D Human Pose and Shape EstimationJiefeng Li, Chao Xu, Zhicun Chen et al.
Model-based 3D pose and shape estimation methods reconstruct a full 3D mesh for the human body by estimating several parameters. However, learning the abstract parameters is a highly non-linear process and suffers from image-model misalignment, leading to mediocre model performance. In contrast, 3D keypoint estimation methods combine deep CNN network with the volumetric representation to achieve pixel-level localization accuracy but may predict unrealistic body structure. In this paper, we address the above issues by bridging the gap between body mesh estimation and 3D keypoint estimation. We propose a novel hybrid inverse kinematics solution (HybrIK). HybrIK directly transforms accurate 3D joints to relative body-part rotations for 3D body mesh reconstruction, via the twist-and-swing decomposition. The swing rotation is analytically solved with 3D joints, and the twist rotation is derived from the visual cues through the neural network. We show that HybrIK preserves both the accuracy of 3D pose and the realistic body structure of the parametric human model, leading to a pixel-aligned 3D body mesh and a more accurate 3D pose than the pure 3D keypoint estimation methods. Without bells and whistles, the proposed method surpasses the state-of-the-art methods by a large margin on various 3D human pose and shape benchmarks. As an illustrative example, HybrIK outperforms all the previous methods by 13.2 mm MPJPE and 21.9 mm PVE on 3DPW dataset. Our code is available at https://github.com/Jeff-sjtu/HybrIK.
29.4CVMar 28, 2024
OAKINK2: A Dataset of Bimanual Hands-Object Manipulation in Complex Task CompletionXinyu Zhan, Lixin Yang, Yifei Zhao et al.
We present OAKINK2, a dataset of bimanual object manipulation tasks for complex daily activities. In pursuit of constructing the complex tasks into a structured representation, OAKINK2 introduces three level of abstraction to organize the manipulation tasks: Affordance, Primitive Task, and Complex Task. OAKINK2 features on an object-centric perspective for decoding the complex tasks, treating them as a sequence of object affordance fulfillment. The first level, Affordance, outlines the functionalities that objects in the scene can afford, the second level, Primitive Task, describes the minimal interaction units that humans interact with the object to achieve its affordance, and the third level, Complex Task, illustrates how Primitive Tasks are composed and interdependent. OAKINK2 dataset provides multi-view image streams and precise pose annotations for the human body, hands and various interacting objects. This extensive collection supports applications such as interaction reconstruction and motion synthesis. Based on the 3-level abstraction of OAKINK2, we explore a task-oriented framework for Complex Task Completion (CTC). CTC aims to generate a sequence of bimanual manipulation to achieve task objectives. Within the CTC framework, we employ Large Language Models (LLMs) to decompose the complex task objectives into sequences of Primitive Tasks and have developed a Motion Fulfillment Model that generates bimanual hand motion for each Primitive Task. OAKINK2 datasets and models are available at https://oakink.net/v2.
HandTailor: Towards High-Precision Monocular 3D Hand RecoveryJun Lv, Wenqiang Xu, Lixin Yang et al.
3D hand pose estimation and shape recovery are challenging tasks in computer vision. We introduce a novel framework HandTailor, which combines a learning-based hand module and an optimization-based tailor module to achieve high-precision hand mesh recovery from a monocular RGB image. The proposed hand module unifies perspective projection and weak perspective projection in a single network towards accuracy-oriented and in-the-wild scenarios. The proposed tailor module then utilizes the coarsely reconstructed mesh model provided by the hand module as initialization, and iteratively optimizes an energy function to obtain better results. The tailor module is time-efficient, costs only 8ms per frame on a modern CPU. We demonstrate that HandTailor can get state-of-the-art performance on several public benchmarks, with impressive qualitative results on in-the-wild experiments. Code and video are available on our project webpage https://sites.google.com/view/handtailor.
BiHand: Recovering Hand Mesh with Multi-stage Bisected Hourglass NetworksLixin Yang, Jiasen Li, Wenqiang Xu et al.
3D hand estimation has been a long-standing research topic in computer vision. A recent trend aims not only to estimate the 3D hand joint locations but also to recover the mesh model. However, achieving those goals from a single RGB image remains challenging. In this paper, we introduce an end-to-end learnable model, BiHand, which consists of three cascaded stages, namely 2D seeding stage, 3D lifting stage, and mesh generation stage. At the output of BiHand, the full hand mesh will be recovered using the joint rotations and shape parameters predicted from the network. Inside each stage, BiHand adopts a novel bisecting design which allows the networks to encapsulate two closely related information (e.g. 2D keypoints and silhouette in 2D seeding stage, 3D joints, and depth map in 3D lifting stage, joint rotations and shape parameters in the mesh generation stage) in a single forward pass. As the information represents different geometry or structure details, bisecting the data flow can facilitate optimization and increase robustness. For quantitative evaluation, we conduct experiments on two public benchmarks, namely the Rendered Hand Dataset (RHD) and the Stereo Hand Pose Tracking Benchmark (STB). Extensive experiments show that our model can achieve superior accuracy in comparison with state-of-the-art methods, and can produce appealing 3D hand meshes in several severe conditions.