Predicting the 3D conformation of small molecules within protein binding sites is a key challenge in drug design. When a crystallized reference ligand (template) is available, it provides geometric priors that can guide 3D pose prediction. We present a two-stage method for ligand conformation generation guided by such templates. In the first stage, we introduce a molecular alignment approach based on flow-matching to generate 3D coordinates for the ligand, using the template structure as a reference. In the second stage, a differentiable pose optimization procedure refines this conformation based on shape and pharmacophore similarities, internal energy, and, optionally, the protein binding pocket. We evaluate our approach on a new benchmark of ligand pairs co-crystallized with the same target and show that it outperforms standard docking tools and open-access alignment methods, especially in cases involving low similarity to the template or high ligand flexibility.
Insertion task is highly challenging that requires robots to operate with exceptional precision in cluttered environments. Existing methods often have poor generalization capabilities. They typically function in restricted and structured environments, and frequently fail when the plug and socket are far apart, when the scene is densely cluttered, or when handling novel objects. They also rely on strong assumptions such as access to CAD models or a digital twin in simulation. To address this, we propose EasyInsert, a framework which leverages the human intuition that relative pose (delta pose) between plug and socket is sufficient for successful insertion, and employs efficient and automated real-world data collection with minimal human labor to train a generalizable model for relative pose prediction. During execution, EasyInsert follows a coarse-to-fine execution procedure based on predicted delta pose, and successfully performs various insertion tasks. EasyInsert demonstrates strong zero-shot generalization capability for unseen objects in cluttered environments, handling cases with significant initial pose deviations while maintaining high sample efficiency and requiring little human effort. In real-world experiments, with just 5 hours of training data, EasyInsert achieves over 90% success in zero-shot insertion for 13 out of 15 unseen novel objects, including challenging objects like Type-C cables, HDMI cables, and Ethernet cables. Furthermore, with only one human demonstration and 4 minutes of automatically collected data for fine-tuning, it reaches over 90% success rate for all 15 objects.
We introduce a unified approach to forecast the dynamics of human keypoints along with the motion trajectory based on a short sequence of input poses. While many studies address either full-body pose prediction or motion trajectory prediction, only a few attempt to merge them. We propose a motion transformation technique to simultaneously predict full-body pose and trajectory key-points in a global coordinate frame. We utilize an off-the-shelf 3D human pose estimation module, a graph attention network to encode the skeleton structure, and a compact, non-autoregressive transformer suitable for real-time motion prediction for human-robot interaction and human-aware navigation. We introduce a human navigation dataset ``DARKO'' with specific focus on navigational activities that are relevant for human-aware mobile robot navigation. We perform extensive evaluation on Human3.6M, CMU-Mocap, and our DARKO dataset. In comparison to prior work, we show that our approach is compact, real-time, and accurate in predicting human navigation motion across all datasets. Result animations, our dataset, and code will be available at https://nisarganc.github.io/UPTor-page/
The 3D human pose is vital for modern computer vision and computer graphics, and its prediction has drawn attention in recent years. 3D human pose prediction aims at forecasting a human's future motion from the previous sequence. Ignoring that the arbitrariness of human motion sequences has a firm origin in transition in both temporal and spatial axes limits the performance of state-of-the-art methods, leading them to struggle with making precise predictions on complex cases, e.g., arbitrarily posing or greeting. To alleviate this problem, a network called HaarMoDic is proposed in this paper, which utilizes the 2D Haar transform to project joints to higher resolution coordinates where the network can access spatial and temporal information simultaneously. An ablation study proves that the significant contributing module within the HaarModic Network is the Multi-Resolution Haar (MR-Haar) block. Instead of mining in one of two axes or extracting separately, the MR-Haar block projects whole motion sequences to a mixed-up coordinate in higher resolution with 2D Haar Transform, allowing the network to give scope to information from both axes in different resolutions. With the MR-Haar block, the HaarMoDic network can make predictions referring to a broader range of information. Experimental results demonstrate that HaarMoDic surpasses state-of-the-art methods in every testing interval on the Human3.6M dataset in the Mean Per Joint Position Error (MPJPE) metric.
Robotic grasping is a cornerstone capability of embodied systems. Many methods directly output grasps from partial information without modeling the geometry of the scene, leading to suboptimal motion and even collisions. To address these issues, we introduce ZeroGrasp, a novel framework that simultaneously performs 3D reconstruction and grasp pose prediction in near real-time. A key insight of our method is that occlusion reasoning and modeling the spatial relationships between objects is beneficial for both accurate reconstruction and grasping. We couple our method with a novel large-scale synthetic dataset, which comprises 1M photo-realistic images, high-resolution 3D reconstructions and 11.3B physically-valid grasp pose annotations for 12K objects from the Objaverse-LVIS dataset. We evaluate ZeroGrasp on the GraspNet-1B benchmark as well as through real-world robot experiments. ZeroGrasp achieves state-of-the-art performance and generalizes to novel real-world objects by leveraging synthetic data.
Egocentric motion capture with a head-mounted body-facing stereo camera is crucial for VR and AR applications but presents significant challenges such as heavy occlusions and limited annotated real-world data. Existing methods rely on synthetic pretraining and struggle to generate smooth and accurate predictions in real-world settings, particularly for lower limbs. Our work addresses these limitations by introducing a lightweight VR-based data collection setup with on-board, real-time 6D pose tracking. Using this setup, we collected the most extensive real-world dataset for ego-facing ego-mounted cameras to date in size and motion variability. Effectively integrating this multimodal input -- device pose and camera feeds -- is challenging due to the differing characteristics of each data source. To address this, we propose FRAME, a simple yet effective architecture that combines device pose and camera feeds for state-of-the-art body pose prediction through geometrically sound multimodal integration and can run at 300 FPS on modern hardware. Lastly, we showcase a novel training strategy to enhance the model's generalization capabilities. Our approach exploits the problem's geometric properties, yielding high-quality motion capture free from common artifacts in prior works. Qualitative and quantitative evaluations, along with extensive comparisons, demonstrate the effectiveness of our method. Data, code, and CAD designs will be available at https://vcai.mpi-inf.mpg.de/projects/FRAME/
Learning accurate scene reconstruction without pose priors in neural radiance fields is challenging due to inherent geometric ambiguity. Recent development either relies on correspondence priors for regularization or uses off-the-shelf flow estimators to derive analytical poses. However, the potential for jointly learning scene geometry, camera poses, and dense flow within a unified neural representation remains largely unexplored. In this paper, we present Flow-NeRF, a unified framework that simultaneously optimizes scene geometry, camera poses, and dense optical flow all on-the-fly. To enable the learning of dense flow within the neural radiance field, we design and build a bijective mapping for flow estimation, conditioned on pose. To make the scene reconstruction benefit from the flow estimation, we develop an effective feature enhancement mechanism to pass canonical space features to world space representations, significantly enhancing scene geometry. We validate our model across four important tasks, i.e., novel view synthesis, depth estimation, camera pose prediction, and dense optical flow estimation, using several datasets. Our approach surpasses previous methods in almost all metrics for novel-view view synthesis and depth estimation and yields both qualitatively sound and quantitatively accurate novel-view flow. Our project page is https://zhengxunzhi.github.io/flownerf/.
In this work, we propose the use of Ground Penetrating Radar (GPR) for rover localization on Mars. Precise pose estimation is an important task for mobile robots exploring planetary surfaces, as they operate in GPS-denied environments. Although visual odometry provides accurate localization, it is computationally expensive and can fail in dim or high-contrast lighting. Wheel encoders can also provide odometry estimation, but are prone to slipping on the sandy terrain encountered on Mars. Although traditionally a scientific surveying sensor, GPR has been used on Earth for terrain classification and localization through subsurface feature matching. The Perseverance rover and the upcoming ExoMars rover have GPR sensors already equipped to aid in the search of water and mineral resources. We propose to leverage GPR to aid in Mars rover localization. Specifically, we develop a novel GPR-based deep learning model that predicts 1D relative pose translation. We fuse our GPR pose prediction method with inertial and wheel encoder data in a filtering framework to output rover localization. We perform experiments in a Mars analog environment and demonstrate that our GPR-based displacement predictions both outperform wheel encoders and improve multi-modal filtering estimates in high-slip environments. Lastly, we present the first dataset aimed at GPR-based localization in Mars analog environments, which will be made publicly available upon publication.
Human affordance learning investigates contextually relevant novel pose prediction such that the estimated pose represents a valid human action within the scene. While the task is fundamental to machine perception and automated interactive navigation agents, the exponentially large number of probable pose and action variations make the problem challenging and non-trivial. However, the existing datasets and methods for human affordance prediction in 2D scenes are significantly limited in the literature. In this paper, we propose a novel cross-attention mechanism to encode the scene context for affordance prediction by mutually attending spatial feature maps from two different modalities. The proposed method is disentangled among individual subtasks to efficiently reduce the problem complexity. First, we sample a probable location for a person within the scene using a variational autoencoder (VAE) conditioned on the global scene context encoding. Next, we predict a potential pose template from a set of existing human pose candidates using a classifier on the local context encoding around the predicted location. In the subsequent steps, we use two VAEs to sample the scale and deformation parameters for the predicted pose template by conditioning on the local context and template class. Our experiments show significant improvements over the previous baseline of human affordance injection into complex 2D scenes.
Object placement in robotic tasks is inherently challenging due to the diversity of object geometries and placement configurations. To address this, we propose AnyPlace, a two-stage method trained entirely on synthetic data, capable of predicting a wide range of feasible placement poses for real-world tasks. Our key insight is that by leveraging a Vision-Language Model (VLM) to identify rough placement locations, we focus only on the relevant regions for local placement, which enables us to train the low-level placement-pose-prediction model to capture diverse placements efficiently. For training, we generate a fully synthetic dataset of randomly generated objects in different placement configurations (insertion, stacking, hanging) and train local placement-prediction models. We conduct extensive evaluations in simulation, demonstrating that our method outperforms baselines in terms of success rate, coverage of possible placement modes, and precision. In real-world experiments, we show how our approach directly transfers models trained purely on synthetic data to the real world, where it successfully performs placements in scenarios where other models struggle -- such as with varying object geometries, diverse placement modes, and achieving high precision for fine placement. More at: https://any-place.github.io.
Real-time ego-motion tracking for endoscope is a significant task for efficient navigation and robotic automation of endoscopy. In this paper, a novel framework is proposed to perform real-time ego-motion tracking for endoscope. Firstly, a multi-modal visual feature learning network is proposed to perform relative pose prediction, in which the motion feature from the optical flow, the scene features and the joint feature from two adjacent observations are all extracted for prediction. Due to more correlation information in the channel dimension of the concatenated image, a novel feature extractor is designed based on an attention mechanism to integrate multi-dimensional information from the concatenation of two continuous frames. To extract more complete feature representation from the fused features, a novel pose decoder is proposed to predict the pose transformation from the concatenated feature map at the end of the framework. At last, the absolute pose of endoscope is calculated based on relative poses. The experiment is conducted on three datasets of various endoscopic scenes and the results demonstrate that the proposed method outperforms state-of-the-art methods. Besides, the inference speed of the proposed method is over 30 frames per second, which meets the real-time requirement. The project page is here: remote-bmxs.netlify.app
Occlusions are a significant challenge to human pose estimation algorithms, often resulting in inaccurate and anatomically implausible poses. Although current occlusion-robust human pose estimation algorithms exhibit impressive performance on existing datasets, their success is largely attributed to supervised training and the availability of additional information, such as multiple views or temporal continuity. Furthermore, these algorithms typically suffer from performance degradation under distribution shifts. While existing domain adaptive human pose estimation algorithms address this bottleneck, they tend to perform suboptimally when the target domain images are occluded, a common occurrence in real-life scenarios. To address these challenges, we propose OR-POSE: Unsupervised Domain Adaptation for Occlusion Resilient Human POSE Estimation. OR-POSE is an innovative unsupervised domain adaptation algorithm which effectively mitigates domain shifts and overcomes occlusion challenges by employing the mean teacher framework for iterative pseudo-label refinement. Additionally, OR-POSE reinforces realistic pose prediction by leveraging a learned human pose prior which incorporates the anatomical constraints of humans in the adaptation process. Lastly, OR-POSE avoids overfitting to inaccurate pseudo labels generated from heavily occluded images by employing a novel visibility-based curriculum learning approach. This enables the model to gradually transition from training samples with relatively less occlusion to more challenging, heavily occluded samples. Extensive experiments show that OR-POSE outperforms existing analogous state-of-the-art algorithms by $\sim$ 7% on challenging occluded human pose estimation datasets.
Effectively manipulating articulated objects in household scenarios is a crucial step toward achieving general embodied artificial intelligence. Mainstream research in 3D vision has primarily focused on manipulation through depth perception and pose detection. However, in real-world environments, these methods often face challenges due to imperfect depth perception, such as with transparent lids and reflective handles. Moreover, they generally lack the diversity in part-based interactions required for flexible and adaptable manipulation. To address these challenges, we introduced a large-scale part-centric dataset for articulated object manipulation that features both photo-realistic material randomization and detailed annotations of part-oriented, scene-level actionable interaction poses. We evaluated the effectiveness of our dataset by integrating it with several state-of-the-art methods for depth estimation and interaction pose prediction. Additionally, we proposed a novel modular framework that delivers superior and robust performance for generalizable articulated object manipulation. Our extensive experiments demonstrate that our dataset significantly improves the performance of depth perception and actionable interaction pose prediction in both simulation and real-world scenarios. More information and demos can be found at: https://pku-epic.github.io/GAPartManip/.
The ability of intelligent systems to predict human behaviors is crucial, particularly in fields such as autonomous vehicle navigation and social robotics. However, the complexity of human motion have prevented the development of a standardized dataset for human motion prediction, thereby hindering the establishment of pre-trained models. In this paper, we address these limitations by integrating multiple datasets, encompassing both trajectory and 3D pose keypoints, to propose a pre-trained model for human motion prediction. We merge seven distinct datasets across varying modalities and standardize their formats. To facilitate multimodal pre-training, we introduce Multi-Transmotion, an innovative transformer-based model designed for cross-modality pre-training. Additionally, we present a novel masking strategy to capture rich representations. Our methodology demonstrates competitive performance across various datasets on several downstream tasks, including trajectory prediction in the NBA and JTA datasets, as well as pose prediction in the AMASS and 3DPW datasets. The code is publicly available: https://github.com/vita-epfl/multi-transmotion
Predicting a ligand's bound pose to a target protein is a key component of early-stage computational drug discovery. Recent developments in machine learning methods have focused on improving pose quality at the cost of model runtime. For high-throughput virtual screening applications, this exposes a capability gap that can be filled by moderately accurate but fast pose prediction. To this end, we developed QuickBind, a light-weight pose prediction algorithm. We assess QuickBind on widely used benchmarks and find that it provides an attractive trade-off between model accuracy and runtime. To facilitate virtual screening applications, we augment QuickBind with a binding affinity module and demonstrate its capabilities for multiple clinically-relevant drug targets. Finally, we investigate the mechanistic basis by which QuickBind makes predictions and find that it has learned key physicochemical properties of molecular docking, providing new insights into how machine learning models generate protein-ligand poses. By virtue of its simplicity, QuickBind can serve as both an effective virtual screening tool and a minimal test bed for exploring new model architectures and innovations. Model code and weights are available at https://github.com/aqlaboratory/QuickBind .
Predicting pedestrian behavior is challenging yet crucial for applications such as autonomous driving and smart city. Recent deep learning models have achieved remarkable performance in making accurate predictions, but they fail to provide explanations of their inner workings. One reason for this problem is the multi-modal inputs. To bridge this gap, we present Sparse Prototype Network (SPN), an explainable method designed to simultaneously predict a pedestrian's future action, trajectory, and pose. SPN leverages an intermediate prototype bottleneck layer to provide sample-based explanations for its predictions. The prototypes are modality-independent, meaning that they can correspond to any modality from the input. Therefore, SPN can extend to arbitrary combinations of modalities. Regularized by mono-semanticity and clustering constraints, the prototypes learn consistent and human-understandable features and achieve state-of-the-art performance on action, trajectory and pose prediction on TITAN and PIE. Finally, we propose a metric named Top-K Mono-semanticity Scale to quantitatively evaluate the explainability. Qualitative results show the positive correlation between sparsity and explainability. Code available at https://github.com/Equinoxxxxx/SPN.
The field of protein-ligand pose prediction has seen significant advances in recent years, with machine learning-based methods now being commonly used in lieu of classical docking methods or even to predict all-atom protein-ligand complex structures. Most contemporary studies focus on the accuracy and physical plausibility of ligand placement to determine pose quality, often neglecting a direct assessment of the interactions observed with the protein. In this work, we demonstrate that ignoring protein-ligand interaction fingerprints can lead to overestimation of model performance, most notably in recent protein-ligand cofolding models which often fail to recapitulate key interactions.
While previous audio-driven talking head generation (THG) methods generate head poses from driving audio, the generated poses or lips cannot match the audio well or are not editable. In this study, we propose \textbf{PoseTalk}, a THG system that can freely generate lip-synchronized talking head videos with free head poses conditioned on text prompts and audio. The core insight of our method is using head pose to connect visual, linguistic, and audio signals. First, we propose to generate poses from both audio and text prompts, where the audio offers short-term variations and rhythm correspondence of the head movements and the text prompts describe the long-term semantics of head motions. To achieve this goal, we devise a Pose Latent Diffusion (PLD) model to generate motion latent from text prompts and audio cues in a pose latent space. Second, we observe a loss-imbalance problem: the loss for the lip region contributes less than 4\% of the total reconstruction loss caused by both pose and lip, making optimization lean towards head movements rather than lip shapes. To address this issue, we propose a refinement-based learning strategy to synthesize natural talking videos using two cascaded networks, i.e., CoarseNet, and RefineNet. The CoarseNet estimates coarse motions to produce animated images in novel poses and the RefineNet focuses on learning finer lip motions by progressively estimating lip motions from low-to-high resolutions, yielding improved lip-synchronization performance. Experiments demonstrate our pose prediction strategy achieves better pose diversity and realness compared to text-only or audio-only, and our video generator model outperforms state-of-the-art methods in synthesizing talking videos with natural head motions. Project: https://junleen.github.io/projects/posetalk.
Open-world 3D generation has recently attracted considerable attention. While many single-image-to-3D methods have yielded visually appealing outcomes, they often lack sufficient controllability and tend to produce hallucinated regions that may not align with users' expectations. In this paper, we explore an important scenario in which the input consists of one or a few unposed 2D images of a single object, with little or no overlap. We propose a novel method, SpaRP, to reconstruct a 3D textured mesh and estimate the relative camera poses for these sparse-view images. SpaRP distills knowledge from 2D diffusion models and finetunes them to implicitly deduce the 3D spatial relationships between the sparse views. The diffusion model is trained to jointly predict surrogate representations for camera poses and multi-view images of the object under known poses, integrating all information from the input sparse views. These predictions are then leveraged to accomplish 3D reconstruction and pose estimation, and the reconstructed 3D model can be used to further refine the camera poses of input views. Through extensive experiments on three datasets, we demonstrate that our method not only significantly outperforms baseline methods in terms of 3D reconstruction quality and pose prediction accuracy but also exhibits strong efficiency. It requires only about 20 seconds to produce a textured mesh and camera poses for the input views. Project page: https://chaoxu.xyz/sparp.
The ability to reflect on and correct failures is crucial for robotic systems to interact stably with real-life objects.Observing the generalization and reasoning capabilities of Multimodal Large Language Models (MLLMs), previous approaches have aimed to utilize these models to enhance robotic systems accordingly.However, these methods typically focus on high-level planning corrections using an additional MLLM, with limited utilization of failed samples to correct low-level contact poses which is particularly prone to occur during articulated object manipulation.To address this gap, we propose an Autonomous Interactive Correction (AIC) MLLM, which makes use of previous low-level interaction experiences to correct SE(3) pose predictions for articulated object. Specifically, AIC MLLM is initially fine-tuned to acquire both pose prediction and feedback prompt comprehension abilities.We design two types of prompt instructions for interactions with objects: 1) visual masks to highlight unmovable parts for position correction, and 2) textual descriptions to indicate potential directions for rotation correction. During inference, a Feedback Information Extraction module is introduced to recognize the failure cause, allowing AIC MLLM to adaptively correct the pose prediction using the corresponding prompts.To further enhance manipulation stability, we devise a Test Time Adaptation strategy that enables AIC MLLM to better adapt to the current scene configuration.Finally, extensive experiments are conducted in both simulated and real-world environments to evaluate the proposed method. The results demonstrate that our AIC MLLM can efficiently correct failure samples by leveraging interaction experience prompts.Our project website is https://sites.google.com/view/aic-mllm.