Daily Papers

Autonomous driving requires accurate local scene understanding information. To this end, autonomous agents deploy object detection and online BEV lane graph extraction methods as a part of their perception stack. In this work, we propose an architecture and loss formulation to improve the accuracy of local lane graph estimates by using 3D object detection outputs. The proposed method learns to assign the objects to centerlines by considering the centerlines as cluster centers and the objects as data points to be assigned a probability distribution over the cluster centers. This training scheme ensures direct supervision on the relationship between lanes and objects, thus leading to better performance. The proposed method improves lane graph estimation substantially over state-of-the-art methods. The extensive ablations show that our method can achieve significant performance improvements by using the outputs of existing 3D object detection methods. Since our method uses the detection outputs rather than detection method intermediate representations, a single model of our method can use any detection method at test time.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

Dictionary learning is a key tool for representation learning, that explains the data as linear combination of few basic elements. Yet, this analysis is not amenable in the context of graph learning, as graphs usually belong to different metric spaces. We fill this gap by proposing a new online Graph Dictionary Learning approach, which uses the Gromov Wasserstein divergence for the data fitting term. In our work, graphs are encoded through their nodes' pairwise relations and modeled as convex combination of graph atoms, i.e. dictionary elements, estimated thanks to an online stochastic algorithm, which operates on a dataset of unregistered graphs with potentially different number of nodes. Our approach naturally extends to labeled graphs, and is completed by a novel upper bound that can be used as a fast approximation of Gromov Wasserstein in the embedding space. We provide numerical evidences showing the interest of our approach for unsupervised embedding of graph datasets and for online graph subspace estimation and tracking.

Graph representation learning on Analog-Mixed Signal (AMS) circuits is crucial for various downstream tasks, e.g., parasitic estimation. However, the scarcity of design data, the unbalanced distribution of labels, and the inherent diversity of circuit implementations pose significant challenges to learning robust and transferable circuit representations. To address these limitations, we propose CircuitGCL, a novel graph contrastive learning framework that integrates representation scattering and label rebalancing to enhance transferability across heterogeneous circuit graphs. CircuitGCL employs a self-supervised strategy to learn topology-invariant node embeddings through hyperspherical representation scattering, eliminating dependency on large-scale data. Simultaneously, balanced mean squared error (BMSE) and balanced softmax cross-entropy (BSCE) losses are introduced to mitigate label distribution disparities between circuits, enabling robust and transferable parasitic estimation. Evaluated on parasitic capacitance estimation (edge-level task) and ground capacitance classification (node-level task) across TSMC 28nm AMS designs, CircuitGCL outperforms all state-of-the-art (SOTA) methods, with the R^2 improvement of 33.64% sim 44.20% for edge regression and F1-score gain of 0.9times sim 2.1times for node classification. Our code is available at https://github.com/ShenShan123/CircuitGCL.

Estimating the 6-DoF pose of a rigid object from a single RGB image is a crucial yet challenging task. Recent studies have shown the great potential of dense correspondence-based solutions, yet improvements are still needed to reach practical deployment. In this paper, we propose a novel pose estimation algorithm named CheckerPose, which improves on three main aspects. Firstly, CheckerPose densely samples 3D keypoints from the surface of the 3D object and finds their 2D correspondences progressively in the 2D image. Compared to previous solutions that conduct dense sampling in the image space, our strategy enables the correspondence searching in a 2D grid (i.e., pixel coordinate). Secondly, for our 3D-to-2D correspondence, we design a compact binary code representation for 2D image locations. This representation not only allows for progressive correspondence refinement but also converts the correspondence regression to a more efficient classification problem. Thirdly, we adopt a graph neural network to explicitly model the interactions among the sampled 3D keypoints, further boosting the reliability and accuracy of the correspondences. Together, these novel components make CheckerPose a strong pose estimation algorithm. When evaluated on the popular Linemod, Linemod-O, and YCB-V object pose estimation benchmarks, CheckerPose clearly boosts the accuracy of correspondence-based methods and achieves state-of-the-art performances. Code is available at https://github.com/RuyiLian/CheckerPose.

Current graph neural networks (GNNs) that tackle node classification on graphs tend to only focus on nodewise scores and are solely evaluated by nodewise metrics. This limits uncertainty estimation on graphs since nodewise marginals do not fully characterize the joint distribution given the graph structure. In this work, we propose novel edgewise metrics, namely the edgewise expected calibration error (ECE) and the agree/disagree ECEs, which provide criteria for uncertainty estimation on graphs beyond the nodewise setting. Our experiments demonstrate that the proposed edgewise metrics can complement the nodewise results and yield additional insights. Moreover, we show that GNN models which consider the structured prediction problem on graphs tend to have better uncertainty estimations, which illustrates the benefit of going beyond the nodewise setting.

We consider the problem of estimating (diagonally dominant) M-matrices as precision matrices in Gaussian graphical models. These models exhibit intriguing properties, such as the existence of the maximum likelihood estimator with merely two observations for M-matrices lauritzen2019maximum,slawski2015estimation and even one observation for diagonally dominant M-matrices truell2021maximum. We propose an adaptive multiple-stage estimation method that refines the estimate by solving a weighted ell_1-regularized problem at each stage. Furthermore, we develop a unified framework based on the gradient projection method to solve the regularized problem, incorporating distinct projections to handle the constraints of M-matrices and diagonally dominant M-matrices. A theoretical analysis of the estimation error is provided. Our method outperforms state-of-the-art methods in precision matrix estimation and graph edge identification, as evidenced by synthetic and financial time-series data sets.

Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthetic score and gas permeability as condition constraints into diffusion models remains unexplored. We present the Graph Diffusion Transformer (Graph DiT) for multi-conditional molecular generation. Graph DiT integrates an encoder to learn numerical and categorical property representations with the Transformer-based denoiser. Unlike previous graph diffusion models that add noise separately on the atoms and bonds in the forward diffusion process, Graph DiT is trained with a novel graph-dependent noise model for accurate estimation of graph-related noise in molecules. We extensively validate Graph DiT for multi-conditional polymer and small molecule generation. Results demonstrate the superiority of Graph DiT across nine metrics from distribution learning to condition control for molecular properties. A polymer inverse design task for gas separation with feedback from domain experts further demonstrates its practical utility.

Detecting and localizing leaks in water distribution network systems is an important topic with direct environmental, economic, and social impact. Our paper is the first to explore the use of factor graph optimization techniques for leak localization in water distribution networks, enabling us to perform sensor fusion between pressure and demand sensor readings and to estimate the network's temporal and structural state evolution across all network nodes. The methodology introduces specific water network factors and proposes a new architecture composed of two factor graphs: a leak-free state estimation factor graph and a leak localization factor graph. When a new sensor reading is obtained, unlike Kalman and other interpolation-based methods, which estimate only the current network state, factor graphs update both current and past states. Results on Modena, L-TOWN and synthetic networks show that factor graphs are much faster than nonlinear Kalman-based alternatives such as the UKF, while also providing improvements in localization compared to state-of-the-art estimation-localization approaches. Implementation and benchmarks are available at https://github.com/pirofti/FGLL.

We present a novel quasi-Monte Carlo mechanism to improve graph-based sampling, coined repelling random walks. By inducing correlations between the trajectories of an interacting ensemble such that their marginal transition probabilities are unmodified, we are able to explore the graph more efficiently, improving the concentration of statistical estimators whilst leaving them unbiased. The mechanism has a trivial drop-in implementation. We showcase the effectiveness of repelling random walks in a range of settings including estimation of graph kernels, the PageRank vector and graphlet concentrations. We provide detailed experimental evaluation and robust theoretical guarantees. To our knowledge, repelling random walks constitute the first rigorously studied quasi-Monte Carlo scheme correlating the directions of walkers on a graph, inviting new research in this exciting nascent domain.

Uncertainty estimation is essential for enhancing the reliability of Large Language Models (LLMs), particularly in high-stakes applications. Existing methods often overlook semantic dependencies, relying on token-level probability measures that fail to capture structural relationships within the generated text. We propose GENUINE: Graph ENhanced mUlti-level uncertaINty Estimation for Large Language Models, a structure-aware framework that leverages dependency parse trees and hierarchical graph pooling to refine uncertainty quantification. By incorporating supervised learning, GENUINE effectively models semantic and structural relationships, improving confidence assessments. Extensive experiments across NLP tasks show that GENUINE achieves up to 29% higher AUROC than semantic entropy-based approaches and reduces calibration errors by over 15%, demonstrating the effectiveness of graph-based uncertainty modeling. The code is available at https://github.com/ODYSSEYWT/GUQ.

Despite the recent progress, 3D multi-person pose estimation from monocular videos is still challenging due to the commonly encountered problem of missing information caused by occlusion, partially out-of-frame target persons, and inaccurate person detection. To tackle this problem, we propose a novel framework integrating graph convolutional networks (GCNs) and temporal convolutional networks (TCNs) to robustly estimate camera-centric multi-person 3D poses that do not require camera parameters. In particular, we introduce a human-joint GCN, which, unlike the existing GCN, is based on a directed graph that employs the 2D pose estimator's confidence scores to improve the pose estimation results. We also introduce a human-bone GCN, which models the bone connections and provides more information beyond human joints. The two GCNs work together to estimate the spatial frame-wise 3D poses and can make use of both visible joint and bone information in the target frame to estimate the occluded or missing human-part information. To further refine the 3D pose estimation, we use our temporal convolutional networks (TCNs) to enforce the temporal and human-dynamics constraints. We use a joint-TCN to estimate person-centric 3D poses across frames, and propose a velocity-TCN to estimate the speed of 3D joints to ensure the consistency of the 3D pose estimation in consecutive frames. Finally, to estimate the 3D human poses for multiple persons, we propose a root-TCN that estimates camera-centric 3D poses without requiring camera parameters. Quantitative and qualitative evaluations demonstrate the effectiveness of the proposed method.

Traditional 2D pose estimation models are limited by their category-specific design, making them suitable only for predefined object categories. This restriction becomes particularly challenging when dealing with novel objects due to the lack of relevant training data. To address this limitation, category-agnostic pose estimation (CAPE) was introduced. CAPE aims to enable keypoint localization for arbitrary object categories using a single model, requiring minimal support images with annotated keypoints. This approach not only enables object pose generation based on arbitrary keypoint definitions but also significantly reduces the associated costs, paving the way for versatile and adaptable pose estimation applications. We present a novel approach to CAPE that leverages the inherent geometrical relations between keypoints through a newly designed Graph Transformer Decoder. By capturing and incorporating this crucial structural information, our method enhances the accuracy of keypoint localization, marking a significant departure from conventional CAPE techniques that treat keypoints as isolated entities. We validate our approach on the MP-100 benchmark, a comprehensive dataset comprising over 20,000 images spanning more than 100 categories. Our method outperforms the prior state-of-the-art by substantial margins, achieving remarkable improvements of 2.16% and 1.82% under 1-shot and 5-shot settings, respectively. Furthermore, our method's end-to-end training demonstrates both scalability and efficiency compared to previous CAPE approaches.

Safe deployment of graph neural networks (GNNs) under distribution shift requires models to provide accurate confidence indicators (CI). However, while it is well-known in computer vision that CI quality diminishes under distribution shift, this behavior remains understudied for GNNs. Hence, we begin with a case study on CI calibration under controlled structural and feature distribution shifts and demonstrate that increased expressivity or model size do not always lead to improved CI performance. Consequently, we instead advocate for the use of epistemic uncertainty quantification (UQ) methods to modulate CIs. To this end, we propose G-DeltaUQ, a new single model UQ method that extends the recently proposed stochastic centering framework to support structured data and partial stochasticity. Evaluated across covariate, concept, and graph size shifts, G-DeltaUQ not only outperforms several popular UQ methods in obtaining calibrated CIs, but also outperforms alternatives when CIs are used for generalization gap prediction or OOD detection. Overall, our work not only introduces a new, flexible GNN UQ method, but also provides novel insights into GNN CIs on safety-critical tasks.

Despite substantial progress in 3D human pose estimation from a single-view image, prior works rarely explore global and local correlations, leading to insufficient learning of human skeleton representations. To address this issue, we propose a novel Interweaved Graph and Attention Network (IGANet) that allows bidirectional communications between graph convolutional networks (GCNs) and attentions. Specifically, we introduce an IGA module, where attentions are provided with local information from GCNs and GCNs are injected with global information from attentions. Additionally, we design a simple yet effective U-shaped multi-layer perceptron (uMLP), which can capture multi-granularity information for body joints. Extensive experiments on two popular benchmark datasets (i.e. Human3.6M and MPI-INF-3DHP) are conducted to evaluate our proposed method.The results show that IGANet achieves state-of-the-art performance on both datasets. Code is available at https://github.com/xiu-cs/IGANet.

Understanding pain-related facial behaviors is essential for digital healthcare in terms of effective monitoring, assisted diagnostics, and treatment planning, particularly for patients unable to communicate verbally. Existing data-driven methods of detecting pain from facial expressions are limited due to interpretability and severity quantification. To this end, we propose GraphAU-Pain, leveraging a graph-based framework to model facial Action Units (AUs) and their interrelationships for pain intensity estimation. AUs are represented as graph nodes, with co-occurrence relationships as edges, enabling a more expressive depiction of pain-related facial behaviors. By utilizing a relational graph neural network, our framework offers improved interpretability and significant performance gains. Experiments conducted on the publicly available UNBC dataset demonstrate the effectiveness of the GraphAU-Pain, achieving an F1-score of 66.21% and accuracy of 87.61% in pain intensity estimation.

3D human pose estimation has been researched for decades with promising fruits. 3D human pose lifting is one of the promising research directions toward the task where both estimated pose and ground truth pose data are used for training. Existing pose lifting works mainly focus on improving the performance of estimated pose, but they usually underperform when testing on the ground truth pose data. We observe that the performance of the estimated pose can be easily improved by preparing good quality 2D pose, such as fine-tuning the 2D pose or using advanced 2D pose detectors. As such, we concentrate on improving the 3D human pose lifting via ground truth data for the future improvement of more quality estimated pose data. Towards this goal, a simple yet effective model called Global-local Adaptive Graph Convolutional Network (GLA-GCN) is proposed in this work. Our GLA-GCN globally models the spatiotemporal structure via a graph representation and backtraces local joint features for 3D human pose estimation via individually connected layers. To validate our model design, we conduct extensive experiments on three benchmark datasets: Human3.6M, HumanEva-I, and MPI-INF-3DHP. Experimental results show that our GLA-GCN implemented with ground truth 2D poses significantly outperforms state-of-the-art methods (e.g., up to around 3%, 17%, and 14% error reductions on Human3.6M, HumanEva-I, and MPI-INF-3DHP, respectively). GitHub: https://github.com/bruceyo/GLA-GCN.

The extraction of keypoint positions from input hand frames, known as 3D hand pose estimation, is crucial for various human-computer interaction applications. However, current approaches often struggle with the dynamic nature of self-occlusion of hands and intra-occlusion with interacting objects. To address this challenge, this paper proposes the Denoising Adaptive Graph Transformer, HandDAGT, for hand pose estimation. The proposed HandDAGT leverages a transformer structure to thoroughly explore effective geometric features from input patches. Additionally, it incorporates a novel attention mechanism to adaptively weigh the contribution of kinematic correspondence and local geometric features for the estimation of specific keypoints. This attribute enables the model to adaptively employ kinematic and local information based on the occlusion situation, enhancing its robustness and accuracy. Furthermore, we introduce a novel denoising training strategy aimed at improving the model's robust performance in the face of occlusion challenges. Experimental results show that the proposed model significantly outperforms the existing methods on four challenging hand pose benchmark datasets. Codes and pre-trained models are publicly available at https://github.com/cwc1260/HandDAGT.

In diffraction-based crystal structure analysis, thermal ellipsoids, quantified via Anisotropic Displacement Parameters (ADPs), are critical yet challenging to determine. ADPs capture atomic vibrations, reflecting thermal and structural properties, but traditional computation is often expensive. This paper introduces CartNet, a novel graph neural network (GNN) for efficiently predicting crystal properties by encoding atomic geometry into Cartesian coordinates alongside the crystal temperature. CartNet integrates a neighbour equalization technique to emphasize covalent and contact interactions, and a Cholesky-based head to ensure valid ADP predictions. We also propose a rotational SO(3) data augmentation strategy during training to handle unseen orientations. An ADP dataset with over 200,000 experimental crystal structures from the Cambridge Structural Database (CSD) was curated to validate the approach. CartNet significantly reduces computational costs and outperforms existing methods in ADP prediction by 10.87%, while delivering a 34.77% improvement over theoretical approaches. We further evaluated CartNet on other datasets covering formation energy, band gap, total energy, energy above the convex hull, bulk moduli, and shear moduli, achieving 7.71% better results on the Jarvis Dataset and 13.16% on the Materials Project Dataset. These gains establish CartNet as a state-of-the-art solution for diverse crystal property predictions. Project website and online demo: https://www.ee.ub.edu/cartnet

We consider the problem of real-time reconstruction of urban air pollution maps. The task is challenging due to the heterogeneous sources of available data, the scarcity of direct measurements, the presence of noise, and the large surfaces that need to be considered. In this work, we introduce different reconstruction methods based on posing the problem on city graphs. Our strategies can be classified as fully data-driven, physics-driven, or hybrid, and we combine them with super-learning models. The performance of the methods is tested in the case of the inner city of Paris, France.

Parse graphs of the human body can be obtained in the human brain to help humans complete the human pose estimation (HPE). It contains a hierarchical structure, like a tree structure, and context relations among nodes. Many researchers pre-design the parse graph of body structure, and then design framework for HPE. However, these frameworks are difficulty adapting when encountering situations that differ from the preset human structure. Different from them, we regard the feature map as a whole, similarly to human body, so the feature map can be optimized based on parse graphs and each node feature is learned implicitly instead of explicitly, which means it can flexibly respond to different human body structure. In this paper, we design the Refinement Module based on the Parse Graph of feature map (RMPG), which includes two stages: top-down decomposition and bottom-up combination. In the top-down decomposition stage, the feature map is decomposed into multiple sub-feature maps along the channel and their context relations are calculated to obtain their respective context information. In the bottom-up combination stage, the sub-feature maps and their context information are combined to obtain refined sub-feature maps, and then these refined sub-feature maps are concatenated to obtain the refined feature map. Additionally ,we design a top-down framework by using multiple RMPG modules for HPE, some of which are supervised to obtain context relations among body parts. Our framework achieves excellent results on the COCO keypoint detection, CrowdPose and MPII human pose datasets. More importantly, our experiments also demonstrate the effectiveness of RMPG on different methods, including SimpleBaselines, Hourglass, and ViTPose.

Graph Neural Networks (GNNs) are widely deployed in vast fields, but they often struggle to maintain accurate representations as graphs evolve. We theoretically establish a lower bound, proving that under mild conditions, representation distortion inevitably occurs over time. To estimate the temporal distortion without human annotation after deployment, one naive approach is to pre-train a recurrent model (e.g., RNN) before deployment and use this model afterwards, but the estimation is far from satisfactory. In this paper, we analyze the representation distortion from an information theory perspective, and attribute it primarily to inaccurate feature extraction during evolution. Consequently, we introduce Smart, a straightforward and effective baseline enhanced by an adaptive feature extractor through self-supervised graph reconstruction. In synthetic random graphs, we further refine the former lower bound to show the inevitable distortion over time and empirically observe that Smart achieves good estimation performance. Moreover, we observe that Smart consistently shows outstanding generalization estimation on four real-world evolving graphs. The ablation studies underscore the necessity of graph reconstruction. For example, on OGB-arXiv dataset, the estimation metric MAPE deteriorates from 2.19% to 8.00% without reconstruction.

We propose a direct estimation method for R\'{e}nyi and f-divergence measures based on a new graph theoretical interpretation. Suppose that we are given two sample sets X and Y, respectively with N and M samples, where eta:=M/N is a constant value. Considering the k-nearest neighbor (k-NN) graph of Y in the joint data set (X,Y), we show that the average powered ratio of the number of X points to the number of Y points among all k-NN points is proportional to R\'{e}nyi divergence of X and Y densities. A similar method can also be used to estimate f-divergence measures. We derive bias and variance rates, and show that for the class of gamma-H\"{o}lder smooth functions, the estimator achieves the MSE rate of O(N^{-2gamma/(gamma+d)}). Furthermore, by using a weighted ensemble estimation technique, for density functions with continuous and bounded derivatives of up to the order d, and some extra conditions at the support set boundary, we derive an ensemble estimator that achieves the parametric MSE rate of O(1/N). Our estimators are more computationally tractable than other competing estimators, which makes them appealing in many practical applications.

Due to depth ambiguities and occlusions, lifting 2D poses to 3D is a highly ill-posed problem. Well-calibrated distributions of possible poses can make these ambiguities explicit and preserve the resulting uncertainty for downstream tasks. This study shows that previous attempts, which account for these ambiguities via multiple hypotheses generation, produce miscalibrated distributions. We identify that miscalibration can be attributed to the use of sample-based metrics such as minMPJPE. In a series of simulations, we show that minimizing minMPJPE, as commonly done, should converge to the correct mean prediction. However, it fails to correctly capture the uncertainty, thus resulting in a miscalibrated distribution. To mitigate this problem, we propose an accurate and well-calibrated model called Conditional Graph Normalizing Flow (cGNFs). Our model is structured such that a single cGNF can estimate both conditional and marginal densities within the same model - effectively solving a zero-shot density estimation problem. We evaluate cGNF on the Human~3.6M dataset and show that cGNF provides a well-calibrated distribution estimate while being close to state-of-the-art in terms of overall minMPJPE. Furthermore, cGNF outperforms previous methods on occluded joints while it remains well-calibrated.

Loop closing is a crucial component in SLAM that helps eliminate accumulated errors through two main steps: loop detection and loop pose correction. The first step determines whether loop closing should be performed, while the second estimates the 6-DoF pose to correct odometry drift. Current methods mostly focus on developing robust descriptors for loop closure detection, often neglecting loop pose estimation. A few methods that do include pose estimation either suffer from low accuracy or incur high computational costs. To tackle this problem, we introduce SGLC, a real-time semantic graph-guided full loop closing method, with robust loop closure detection and 6-DoF pose estimation capabilities. SGLC takes into account the distinct characteristics of foreground and background points. For foreground instances, it builds a semantic graph that not only abstracts point cloud representation for fast descriptor generation and matching but also guides the subsequent loop verification and initial pose estimation. Background points, meanwhile, are exploited to provide more geometric features for scan-wise descriptor construction and stable planar information for further pose refinement. Loop pose estimation employs a coarse-fine-refine registration scheme that considers the alignment of both instance points and background points, offering high efficiency and accuracy. Extensive experiments on multiple publicly available datasets demonstrate its superiority over state-of-the-art methods. Additionally, we integrate SGLC into a SLAM system, eliminating accumulated errors and improving overall SLAM performance. The implementation of SGLC will be released at https://github.com/nubot-nudt/SGLC.

We propose a novel transformer-based framework that reconstructs two high fidelity hands from multi-view RGB images. Unlike existing hand pose estimation methods, where one typically trains a deep network to regress hand model parameters from single RGB image, we consider a more challenging problem setting where we directly regress the absolute root poses of two-hands with extended forearm at high resolution from egocentric view. As existing datasets are either infeasible for egocentric viewpoints or lack background variations, we create a large-scale synthetic dataset with diverse scenarios and collect a real dataset from multi-calibrated camera setup to verify our proposed multi-view image feature fusion strategy. To make the reconstruction physically plausible, we propose two strategies: (i) a coarse-to-fine spectral graph convolution decoder to smoothen the meshes during upsampling and (ii) an optimisation-based refinement stage at inference to prevent self-penetrations. Through extensive quantitative and qualitative evaluations, we show that our framework is able to produce realistic two-hand reconstructions and demonstrate the generalisation of synthetic-trained models to real data, as well as real-time AR/VR applications.

We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined universal graph random features (u-GRFs). This includes many of the most popular examples of kernels defined on the nodes of a graph. Our algorithm enjoys subquadratic time complexity with respect to the number of nodes, overcoming the notoriously prohibitive cubic scaling of exact graph kernel evaluation. It can also be trivially distributed across machines, permitting learning on much larger networks. At the heart of the algorithm is a modulation function which upweights or downweights the contribution from different random walks depending on their lengths. We show that by parameterising it with a neural network we can obtain u-GRFs that give higher-quality kernel estimates or perform efficient, scalable kernel learning. We provide robust theoretical analysis and support our findings with experiments including pointwise estimation of fixed graph kernels, solving non-homogeneous graph ordinary differential equations, node clustering and kernel regression on triangular meshes.

Top-performing landmark estimation algorithms are based on exploiting the excellent ability of large convolutional neural networks (CNNs) to represent local appearance. However, it is well known that they can only learn weak spatial relationships. To address this problem, we propose a model based on the combination of a CNN with a cascade of Graph Attention Network regressors. To this end, we introduce an encoding that jointly represents the appearance and location of facial landmarks and an attention mechanism to weigh the information according to its reliability. This is combined with a multi-task approach to initialize the location of graph nodes and a coarse-to-fine landmark description scheme. Our experiments confirm that the proposed model learns a global representation of the structure of the face, achieving top performance in popular benchmarks on head pose and landmark estimation. The improvement provided by our model is most significant in situations involving large changes in the local appearance of landmarks.

In this paper, the causal bandit problem is investigated, in which the objective is to select an optimal sequence of interventions on nodes in a causal graph. It is assumed that the graph is governed by linear structural equations; it is further assumed that both the causal topology and the distribution of interventions are unknown. By exploiting the causal relationships between the nodes whose signals contribute to the reward, interventions are optimized. First, based on the difference between the two types of graph identification errors (false positives and negatives), a causal graph learning method is proposed, which strongly reduces sample complexity relative to the prior art by learning sub-graphs. Under the assumption of Gaussian exogenous inputs and minimum-mean squared error weight estimation, a new uncertainty bound tailored to the causal bandit problem is derived. This uncertainty bound drives an upper confidence bound based intervention selection to optimize the reward. To cope with non-stationary bandits, a sub-graph change detection mechanism is proposed, with high sample efficiency. Numerical results compare the new methodology to existing schemes and show a substantial performance improvement in both stationary and non-stationary settings. Compared to existing approaches, the proposed scheme takes 67% fewer samples to learn the causal structure and achieves an average reward gain of 85%.

3D surface reconstruction from images is essential for numerous applications. Recently, Neural Radiance Fields (NeRFs) have emerged as a promising framework for 3D modeling. However, NeRFs require accurate camera poses as input, and existing methods struggle to handle significantly noisy pose estimates (i.e., outliers), which are commonly encountered in real-world scenarios. To tackle this challenge, we present a novel approach that optimizes radiance fields with scene graphs to mitigate the influence of outlier poses. Our method incorporates an adaptive inlier-outlier confidence estimation scheme based on scene graphs, emphasizing images of high compatibility with the neighborhood and consistency in the rendering quality. We also introduce an effective intersection-over-union (IoU) loss to optimize the camera pose and surface geometry, together with a coarse-to-fine strategy to facilitate the training. Furthermore, we propose a new dataset containing typical outlier poses for a detailed evaluation. Experimental results on various datasets consistently demonstrate the effectiveness and superiority of our method over existing approaches, showcasing its robustness in handling outliers and producing high-quality 3D reconstructions. Our code and data are available at: https://github.com/Iris-cyy/SG-NeRF.

This study introduces DrivAerNet, a large-scale high-fidelity CFD dataset of 3D industry-standard car shapes, and RegDGCNN, a dynamic graph convolutional neural network model, both aimed at aerodynamic car design through machine learning. DrivAerNet, with its 4000 detailed 3D car meshes using 0.5 million surface mesh faces and comprehensive aerodynamic performance data comprising of full 3D pressure, velocity fields, and wall-shear stresses, addresses the critical need for extensive datasets to train deep learning models in engineering applications. It is 60\% larger than the previously available largest public dataset of cars, and is the only open-source dataset that also models wheels and underbody. RegDGCNN leverages this large-scale dataset to provide high-precision drag estimates directly from 3D meshes, bypassing traditional limitations such as the need for 2D image rendering or Signed Distance Fields (SDF). By enabling fast drag estimation in seconds, RegDGCNN facilitates rapid aerodynamic assessments, offering a substantial leap towards integrating data-driven methods in automotive design. Together, DrivAerNet and RegDGCNN promise to accelerate the car design process and contribute to the development of more efficient vehicles. To lay the groundwork for future innovations in the field, the dataset and code used in our study are publicly accessible at https://github.com/Mohamedelrefaie/DrivAerNet

We deal with the combinatorial problem of learning directed acyclic graph (DAG) structure from observational data adhering to a linear structural equation model (SEM). Leveraging advances in differentiable, nonconvex characterizations of acyclicity, recent efforts have advocated a continuous constrained optimization paradigm to efficiently explore the space of DAGs. Most existing methods employ lasso-type score functions to guide this search, which (i) require expensive penalty parameter retuning when the unknown SEM noise variances change across problem instances; and (ii) implicitly rely on limiting homoscedasticity assumptions. In this work, we propose a new convex score function for sparsity-aware learning of linear DAGs, which incorporates concomitant estimation of scale and thus effectively decouples the sparsity parameter from the exogenous noise levels. Regularization via a smooth, nonconvex acyclicity penalty term yields CoLiDE (Concomitant Linear DAG Estimation), a regression-based criterion amenable to efficient gradient computation and closed-form estimation of noise variances in heteroscedastic scenarios. Our algorithm outperforms state-of-the-art methods without incurring added complexity, especially when the DAGs are larger and the noise level profile is heterogeneous. We also find CoLiDE exhibits enhanced stability manifested via reduced standard deviations in several domain-specific metrics, underscoring the robustness of our novel linear DAG estimator.

Robust estimation is a crucial and still challenging task, which involves estimating model parameters in noisy environments. Although conventional sampling consensus-based algorithms sample several times to achieve robustness, these algorithms cannot use data features and historical information effectively. In this paper, we propose RLSAC, a novel Reinforcement Learning enhanced SAmple Consensus framework for end-to-end robust estimation. RLSAC employs a graph neural network to utilize both data and memory features to guide exploring directions for sampling the next minimum set. The feedback of downstream tasks serves as the reward for unsupervised training. Therefore, RLSAC can avoid differentiating to learn the features and the feedback of downstream tasks for end-to-end robust estimation. In addition, RLSAC integrates a state transition module that encodes both data and memory features. Our experimental results demonstrate that RLSAC can learn from features to gradually explore a better hypothesis. Through analysis, it is apparent that RLSAC can be easily transferred to other sampling consensus-based robust estimation tasks. To the best of our knowledge, RLSAC is also the first method that uses reinforcement learning to sample consensus for end-to-end robust estimation. We release our codes at https://github.com/IRMVLab/RLSAC.

Multi-person pose estimation is fundamental to many computer vision tasks and has made significant progress in recent years. However, few previous methods explored the problem of pose estimation in crowded scenes while it remains challenging and inevitable in many scenarios. Moreover, current benchmarks cannot provide an appropriate evaluation for such cases. In this paper, we propose a novel and efficient method to tackle the problem of pose estimation in the crowd and a new dataset to better evaluate algorithms. Our model consists of two key components: joint-candidate single person pose estimation (SPPE) and global maximum joints association. With multi-peak prediction for each joint and global association using graph model, our method is robust to inevitable interference in crowded scenes and very efficient in inference. The proposed method surpasses the state-of-the-art methods on CrowdPose dataset by 5.2 mAP and results on MSCOCO dataset demonstrate the generalization ability of our method. Source code and dataset will be made publicly available.

Poisson noise suppression is an important preprocessing step in several applications, such as medical imaging, microscopy, and astronomical imaging. In this work, we propose a novel patch-wise Poisson noise removal strategy, in which the MMSE estimator is utilized in order to produce the denoising result for each image patch. Fast and accurate computation of the MMSE estimator is carried out using k-d tree search followed by search in the K-nearest neighbor graph. Our experiments show that the proposed method is the preferable choice for low signal-to-noise ratios.

Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods are not well suited for calibrating graph neural networks (GNNs), which presents unique challenges such as accounting for the graph structure and the graph-induced correlations between the nodes. In this work, we conduct a systematic study on the calibration qualities of GNN node predictions. In particular, we identify five factors which influence the calibration of GNNs: general under-confident tendency, diversity of nodewise predictive distributions, distance to training nodes, relative confidence level, and neighborhood similarity. Furthermore, based on the insights from this study, we design a novel calibration method named Graph Attention Temperature Scaling (GATS), which is tailored for calibrating graph neural networks. GATS incorporates designs that address all the identified influential factors and produces nodewise temperature scaling using an attention-based architecture. GATS is accuracy-preserving, data-efficient, and expressive at the same time. Our experiments empirically verify the effectiveness of GATS, demonstrating that it can consistently achieve state-of-the-art calibration results on various graph datasets for different GNN backbones.

Category-Agnostic Pose Estimation (CAPE) localizes keypoints across diverse object categories with a single model, using one or a few annotated support images. Recent works have shown that using a pose graph (i.e., treating keypoints as nodes in a graph rather than isolated points) helps handle occlusions and break symmetry. However, these methods assume a static pose graph with equal-weight edges, leading to suboptimal results. We introduce EdgeCape, a novel framework that overcomes these limitations by predicting the graph's edge weights which optimizes localization. To further leverage structural priors, we propose integrating Markovian Structural Bias, which modulates the self-attention interaction between nodes based on the number of hops between them. We show that this improves the model's ability to capture global spatial dependencies. Evaluated on the MP-100 benchmark, which includes 100 categories and over 20K images, EdgeCape achieves state-of-the-art results in the 1-shot setting and leads among similar-sized methods in the 5-shot setting, significantly improving keypoint localization accuracy. Our code is publicly available.

Graph-based learning has emerged as a transformative approach for modeling complex relationships across diverse domains, yet its potential in wireless security remains largely unexplored. In this work, we introduce the first application of graph-based learning for jamming source localization, addressing the imminent threat of jamming attacks in wireless networks. Unlike geometric optimization techniques that struggle under environmental uncertainties and dense interference, we reformulate localization as an inductive graph regression task. Our approach integrates structured node representations that encode local and global signal aggregation, ensuring spatial coherence and adaptive signal fusion. To enhance robustness, we incorporate an attention-based graph neural network that adaptively refines neighborhood influence and introduces a confidence-guided estimation mechanism that dynamically balances learned predictions with domain-informed priors. We evaluate our approach under complex radio frequency environments with varying sampling densities and signal propagation conditions, conducting comprehensive ablation studies on graph construction, feature selection, and pooling strategies. Results demonstrate that our novel graph-based learning framework significantly outperforms established localization baselines, particularly in challenging scenarios with sparse and obfuscated signal information. Code is available at [https://github.com/daniaherzalla/gnn-jamming-source-localization](https://github.com/daniaherzalla/gnn-jamming-source-localization).

Pre-routing slack prediction remains a critical area of research in Electronic Design Automation (EDA). Despite numerous machine learning-based approaches targeting this task, there is still a lack of a truly end-to-end framework that engineers can use to obtain TNS/WNS metrics from raw circuit data at the placement stage. Existing works have demonstrated effectiveness in Arrival Time (AT) prediction but lack a mechanism for Required Arrival Time (RAT) prediction, which is essential for slack prediction and obtaining TNS/WNS metrics. In this work, we propose E2ESlack, an end-to-end graph-based framework for pre-routing slack prediction. The framework includes a TimingParser that supports DEF, SDF and LIB files for feature extraction and graph construction, an arrival time prediction model and a fast RAT estimation module. To the best of our knowledge, this is the first work capable of predicting path-level slacks at the pre-routing stage. We perform extensive experiments and demonstrate that our proposed RAT estimation method outperforms the SOTA ML-based prediction method and also pre-routing STA tool. Additionally, the proposed E2ESlack framework achieves TNS/WNS values comparable to post-routing STA results while saving up to 23x runtime.

Conventional 2D pose estimation models are constrained by their design to specific object categories. This limits their applicability to predefined objects. To overcome these limitations, category-agnostic pose estimation (CAPE) emerged as a solution. CAPE aims to facilitate keypoint localization for diverse object categories using a unified model, which can generalize from minimal annotated support images. Recent CAPE works have produced object poses based on arbitrary keypoint definitions annotated on a user-provided support image. Our work departs from conventional CAPE methods, which require a support image, by adopting a text-based approach instead of the support image. Specifically, we use a pose-graph, where nodes represent keypoints that are described with text. This representation takes advantage of the abstraction of text descriptions and the structure imposed by the graph. Our approach effectively breaks symmetry, preserves structure, and improves occlusion handling. We validate our novel approach using the MP-100 benchmark, a comprehensive dataset spanning over 100 categories and 18,000 images. Under a 1-shot setting, our solution achieves a notable performance boost of 1.07\%, establishing a new state-of-the-art for CAPE. Additionally, we enrich the dataset by providing text description annotations, further enhancing its utility for future research.

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power system dynamics, primarily because of limitations in encoding the grid topology and sparse measurements. This paper proposes a physics-informed graphical learning state estimation method to address these limitations by leveraging both domain physical knowledge and a graph neural network (GNN). We employ a GNN architecture that can handle the graph-structured data of power systems more effectively than traditional data-driven methods. The physics-based knowledge is constructed from the branch current formulation, making the approach adaptable to both transmission and distribution systems. The validation results of three IEEE test systems show that the proposed method can achieve lower mean square error more than 20% than the conventional methods.

Dependency graph, as a heterogeneous graph representing the intrinsic relationships between different pairs of system entities, is essential to many data analysis applications, such as root cause diagnosis, intrusion detection, etc. Given a well-trained dependency graph from a source domain and an immature dependency graph from a target domain, how can we extract the entity and dependency knowledge from the source to enhance the target? One way is to directly apply a mature dependency graph learned from a source domain to the target domain. But due to the domain variety problem, directly using the source dependency graph often can not achieve good performance. Traditional transfer learning methods mainly focus on numerical data and are not applicable. In this paper, we propose ACRET, a knowledge transfer based model for accelerating dependency graph learning from heterogeneous categorical event streams. In particular, we first propose an entity estimation model to filter out irrelevant entities from the source domain based on entity embedding and manifold learning. Only the entities with statistically high correlations are transferred to the target domain. On the surviving entities, we propose a dependency construction model for constructing the unbiased dependency relationships by solving a two-constraint optimization problem. The experimental results on synthetic and real-world datasets demonstrate the effectiveness and efficiency of ACRET. We also apply ACRET to a real enterprise security system for intrusion detection. Our method is able to achieve superior detection performance at least 20 days lead lag time in advance with more than 70% accuracy.

Graph Edit Distance (GED) measures the (dis-)similarity between two given graphs, in terms of the minimum-cost edit sequence that transforms one graph to the other. However, the exact computation of GED is NP-Hard, which has recently motivated the design of neural methods for GED estimation. However, they do not explicitly account for edit operations with different costs. In response, we propose GRAPHEDX, a neural GED estimator that can work with general costs specified for the four edit operations, viz., edge deletion, edge addition, node deletion and node addition. We first present GED as a quadratic assignment problem (QAP) that incorporates these four costs. Then, we represent each graph as a set of node and edge embeddings and use them to design a family of neural set divergence surrogates. We replace the QAP terms corresponding to each operation with their surrogates. Computing such neural set divergence require aligning nodes and edges of the two graphs. We learn these alignments using a Gumbel-Sinkhorn permutation generator, additionally ensuring that the node and edge alignments are consistent with each other. Moreover, these alignments are cognizant of both the presence and absence of edges between node-pairs. Experiments on several datasets, under a variety of edit cost settings, show that GRAPHEDX consistently outperforms state-of-the-art methods and heuristics in terms of prediction error.

GRAFT is a structured multimodal benchmark for evaluating models on instruction-following, visual reasoning, and visual-textual alignment tasks. It features programmatically generated charts and synthetically rendered tables, created with Python visualization libraries to ensure control over data semantics, structure, and clarity. Each GRAFT instance pairs a chart or table image with a systematically generated, multi-step analytical question based solely on visual content. Answers are provided in structured formats such as JSON or YAML, supporting consistent evaluation of both reasoning and output format. The benchmark introduces a taxonomy of reasoning types including comparison, trend identification, ranking, aggregation, proportion estimation, and anomaly detection to enable comprehensive assessment. Reference answers follow strict factual and formatting guidelines for precise, aspect-based evaluation. GRAFT offers a unified, scalable framework for fine-grained benchmarking of multimodal models on visually grounded, structured reasoning tasks, setting a new evaluation standard in this field.

We present a novel meta-learning approach for 6D pose estimation on unknown objects. In contrast to ``instance-level" and ``category-level" pose estimation methods, our algorithm learns object representation in a category-agnostic way, which endows it with strong generalization capabilities across object categories. Specifically, we employ a neural process-based meta-learning approach to train an encoder to capture texture and geometry of an object in a latent representation, based on very few RGB-D images and ground-truth keypoints. The latent representation is then used by a simultaneously meta-trained decoder to predict the 6D pose of the object in new images. Furthermore, we propose a novel geometry-aware decoder for the keypoint prediction using a Graph Neural Network (GNN), which explicitly takes geometric constraints specific to each object into consideration. To evaluate our algorithm, extensive experiments are conducted on the \linemod dataset, and on our new fully-annotated synthetic datasets generated from Multiple Categories in Multiple Scenes (MCMS). Experimental results demonstrate that our model performs well on unseen objects with very different shapes and appearances. Remarkably, our model also shows robust performance on occluded scenes although trained fully on data without occlusion. To our knowledge, this is the first work exploring cross-category level 6D pose estimation.

Multi-robot systems such as swarms of aerial robots are naturally suited to offer additional flexibility, resilience, and robustness in several tasks compared to a single robot by enabling cooperation among the agents. To enhance the autonomous robot decision-making process and situational awareness, multi-robot systems have to coordinate their perception capabilities to collect, share, and fuse environment information among the agents in an efficient and meaningful way such to accurately obtain context-appropriate information or gain resilience to sensor noise or failures. In this paper, we propose a general-purpose Graph Neural Network (GNN) with the main goal to increase, in multi-robot perception tasks, single robots' inference perception accuracy as well as resilience to sensor failures and disturbances. We show that the proposed framework can address multi-view visual perception problems such as monocular depth estimation and semantic segmentation. Several experiments both using photo-realistic and real data gathered from multiple aerial robots' viewpoints show the effectiveness of the proposed approach in challenging inference conditions including images corrupted by heavy noise and camera occlusions or failures.

Collaborative state estimation using different heterogeneous sensors is a fundamental prerequisite for robotic swarms operating in GPS-denied environments, posing a significant research challenge. In this paper, we introduce a centralized system to facilitate collaborative LiDAR-ranging-inertial state estimation, enabling robotic swarms to operate without the need for anchor deployment. The system efficiently distributes computationally intensive tasks to a central server, thereby reducing the computational burden on individual robots for local odometry calculations. The server back-end establishes a global reference by leveraging shared data and refining joint pose graph optimization through place recognition, global optimization techniques, and removal of outlier data to ensure precise and robust collaborative state estimation. Extensive evaluations of our system, utilizing both publicly available datasets and our custom datasets, demonstrate significant enhancements in the accuracy of collaborative SLAM estimates. Moreover, our system exhibits remarkable proficiency in large-scale missions, seamlessly enabling ten robots to collaborate effectively in performing SLAM tasks. In order to contribute to the research community, we will make our code open-source and accessible at https://github.com/PengYu-team/Co-LRIO.

This paper introduces SuperGlue, a neural network that matches two sets of local features by jointly finding correspondences and rejecting non-matchable points. Assignments are estimated by solving a differentiable optimal transport problem, whose costs are predicted by a graph neural network. We introduce a flexible context aggregation mechanism based on attention, enabling SuperGlue to reason about the underlying 3D scene and feature assignments jointly. Compared to traditional, hand-designed heuristics, our technique learns priors over geometric transformations and regularities of the 3D world through end-to-end training from image pairs. SuperGlue outperforms other learned approaches and achieves state-of-the-art results on the task of pose estimation in challenging real-world indoor and outdoor environments. The proposed method performs matching in real-time on a modern GPU and can be readily integrated into modern SfM or SLAM systems. The code and trained weights are publicly available at https://github.com/magicleap/SuperGluePretrainedNetwork.

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the future state distant in time with high accuracy. Although these methods have diverse designs in modeling the coordinates and interacting forces of the system, we show that they actually share a common paradigm that learns the integration of the velocity over the interval between the initial and terminal coordinates. However, their integrand is constant w.r.t. time. Inspired by this observation, we propose a new approach to predict the integration based on several velocity estimations with Newton-Cotes formulas and prove its effectiveness theoretically. Extensive experiments on several benchmarks empirically demonstrate consistent and significant improvement compared with the state-of-the-art methods.

Group Activity Recognition aims to understand collective activities from videos. Existing solutions primarily rely on the RGB modality, which encounters challenges such as background variations, occlusions, motion blurs, and significant computational overhead. Meanwhile, current keypoint-based methods offer a lightweight and informative representation of human motions but necessitate accurate individual annotations and specialized interaction reasoning modules. To address these limitations, we design a panoramic graph that incorporates multi-person skeletons and objects to encapsulate group activity, offering an effective alternative to RGB video. This panoramic graph enables Graph Convolutional Network (GCN) to unify intra-person, inter-person, and person-object interactive modeling through spatial-temporal graph convolutions. In practice, we develop a novel pipeline that extracts skeleton coordinates using pose estimation and tracking algorithms and employ Multi-person Panoramic GCN (MP-GCN) to predict group activities. Extensive experiments on Volleyball and NBA datasets demonstrate that the MP-GCN achieves state-of-the-art performance in both accuracy and efficiency. Notably, our method outperforms RGB-based approaches by using only estimated 2D keypoints as input. Code is available at https://github.com/mgiant/MP-GCN

In online job marketplaces, it is important to establish a well-defined job title taxonomy for various downstream tasks (e.g., job recommendation, users' career analysis, and turnover prediction). Job Title Normalization (JTN) is such a cleaning step to classify user-created non-standard job titles into normalized ones. However, solving the JTN problem is non-trivial with challenges: (1) semantic similarity of different job titles, (2) non-normalized user-created job titles, and (3) large-scale and long-tailed job titles in real-world applications. To this end, we propose a novel solution, named JAMES, that constructs three unique embeddings (i.e., graph, contextual, and syntactic) of a target job title to effectively capture its various traits. We further propose a multi-aspect co-attention mechanism to attentively combine these embeddings, and employ neural logical reasoning representations to collaboratively estimate similarities between messy job titles and normalized job titles in a reasoning space. To evaluate JAMES, we conduct comprehensive experiments against ten competing models on a large-scale real-world dataset with over 350,000 job titles. Our experimental results show that JAMES significantly outperforms the best baseline by 10.06% in Precision@10 and by 17.52% in NDCG@10, respectively.

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and knowledge discovery. However, current KG construction methods often rely on supervised pipelines with limited generalizability or naively aggregate outputs from Large Language Models (LLMs), treating biomedical corpora as static and ignoring the temporal dynamics and contextual uncertainty of evolving knowledge. To address these limitations, we introduce MedKGent, a LLM agent framework for constructing temporally evolving medical KGs. Leveraging over 10 million PubMed abstracts published between 1975 and 2023, we simulate the emergence of biomedical knowledge via a fine-grained daily time series. MedKGent incrementally builds the KG in a day-by-day manner using two specialized agents powered by the Qwen2.5-32B-Instruct model. The Extractor Agent identifies knowledge triples and assigns confidence scores via sampling-based estimation, which are used to filter low-confidence extractions and inform downstream processing. The Constructor Agent incrementally integrates the retained triples into a temporally evolving graph, guided by confidence scores and timestamps to reinforce recurring knowledge and resolve conflicts. The resulting KG contains 156,275 entities and 2,971,384 relational triples. Quality assessments by two SOTA LLMs and three domain experts demonstrate an accuracy approaching 90%, with strong inter-rater agreement. To evaluate downstream utility, we conduct RAG across seven medical question answering benchmarks using five leading LLMs, consistently observing significant improvements over non-augmented baselines. Case studies further demonstrate the KG's value in literature-based drug repurposing via confidence-aware causal inference.

2D-to-3D human pose lifting is fundamental for 3D human pose estimation (HPE), for which graph convolutional networks (GCNs) have proven inherently suitable for modeling the human skeletal topology. However, the current GCN-based 3D HPE methods update the node features by aggregating their neighbors' information without considering the interaction of joints in different joint synergies. Although some studies have proposed importing limb information to learn the movement patterns, the latent synergies among joints, such as maintaining balance are seldom investigated. We propose the Hop-wise GraphFormer with Intragroup Joint Refinement (HopFIR) architecture to tackle the 3D HPE problem. HopFIR mainly consists of a novel hop-wise GraphFormer (HGF) module and an intragroup joint refinement (IJR) module. The HGF module groups the joints by k-hop neighbors and applies a hopwise transformer-like attention mechanism to these groups to discover latent joint synergies. The IJR module leverages the prior limb information for peripheral joint refinement. Extensive experimental results show that HopFIR outperforms the SOTA methods by a large margin, with a mean per-joint position error (MPJPE) on the Human3.6M dataset of 32.67 mm. We also demonstrate that the state-of-the-art GCN-based methods can benefit from the proposed hop-wise attention mechanism with a significant improvement in performance: SemGCN and MGCN are improved by 8.9% and 4.5%, respectively.

This paper introduces a novel human pose estimation benchmark, Human Pose with Millimeter Wave Radar (HuPR), that includes synchronized vision and radio signal components. This dataset is created using cross-calibrated mmWave radar sensors and a monocular RGB camera for cross-modality training of radar-based human pose estimation. There are two advantages of using mmWave radar to perform human pose estimation. First, it is robust to dark and low-light conditions. Second, it is not visually perceivable by humans and thus, can be widely applied to applications with privacy concerns, e.g., surveillance systems in patient rooms. In addition to the benchmark, we propose a cross-modality training framework that leverages the ground-truth 2D keypoints representing human body joints for training, which are systematically generated from the pre-trained 2D pose estimation network based on a monocular camera input image, avoiding laborious manual label annotation efforts. The framework consists of a new radar pre-processing method that better extracts the velocity information from radar data, Cross- and Self-Attention Module (CSAM), to fuse multi-scale radar features, and Pose Refinement Graph Convolutional Networks (PRGCN), to refine the predicted keypoint confidence heatmaps. Our intensive experiments on the HuPR benchmark show that the proposed scheme achieves better human pose estimation performance with only radar data, as compared to traditional pre-processing solutions and previous radio-frequency-based methods.

Molecular structure recognition is the task of translating a molecular image into its graph structure. Significant variation in drawing styles and conventions exhibited in chemical literature poses a significant challenge for automating this task. In this paper, we propose MolScribe, a novel image-to-graph generation model that explicitly predicts atoms and bonds, along with their geometric layouts, to construct the molecular structure. Our model flexibly incorporates symbolic chemistry constraints to recognize chirality and expand abbreviated structures. We further develop data augmentation strategies to enhance the model robustness against domain shifts. In experiments on both synthetic and realistic molecular images, MolScribe significantly outperforms previous models, achieving 76-93% accuracy on public benchmarks. Chemists can also easily verify MolScribe's prediction, informed by its confidence estimation and atom-level alignment with the input image. MolScribe is publicly available through Python and web interfaces: https://github.com/thomas0809/MolScribe.

Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data types, such as graphs, the canonical ordering is less obvious. To address this problem, we introduce a variant of ARM that generates high-dimensional data using a probabilistic ordering that is sequentially inferred from data. This model incorporates a trainable probability distribution, referred to as an order-policy, that dynamically decides the autoregressive order in a state-dependent manner. To train the model, we introduce a variational lower bound on the exact log-likelihood, which we optimize with stochastic gradient estimation. We demonstrate experimentally that our method can learn meaningful autoregressive orderings in image and graph generation. On the challenging domain of molecular graph generation, we achieve state-of-the-art results on the QM9 and ZINC250k benchmarks, evaluated using the Fr\'{e}chet ChemNet Distance (FCD).

Obtaining large pre-trained models that can be fine-tuned to new tasks with limited annotated samples has remained an open challenge for medical imaging data. While pre-trained deep networks on ImageNet and vision-language foundation models trained on web-scale data are prevailing approaches, their effectiveness on medical tasks is limited due to the significant domain shift between natural and medical images. To bridge this gap, we introduce LVM-Med, the first family of deep networks trained on large-scale medical datasets. We have collected approximately 1.3 million medical images from 55 publicly available datasets, covering a large number of organs and modalities such as CT, MRI, X-ray, and Ultrasound. We benchmark several state-of-the-art self-supervised algorithms on this dataset and propose a novel self-supervised contrastive learning algorithm using a graph-matching formulation. The proposed approach makes three contributions: (i) it integrates prior pair-wise image similarity metrics based on local and global information; (ii) it captures the structural constraints of feature embeddings through a loss function constructed via a combinatorial graph-matching objective; and (iii) it can be trained efficiently end-to-end using modern gradient-estimation techniques for black-box solvers. We thoroughly evaluate the proposed LVM-Med on 15 downstream medical tasks ranging from segmentation and classification to object detection, and both for the in and out-of-distribution settings. LVM-Med empirically outperforms a number of state-of-the-art supervised, self-supervised, and foundation models. For challenging tasks such as Brain Tumor Classification or Diabetic Retinopathy Grading, LVM-Med improves previous vision-language models trained on 1 billion masks by 6-7% while using only a ResNet-50.

Erroneous feature matches have severe impact on subsequent camera pose estimation and often require additional, time-costly measures, like RANSAC, for outlier rejection. Our method tackles this challenge by addressing feature matching and pose optimization jointly. To this end, we propose a graph attention network to predict image correspondences along with confidence weights. The resulting matches serve as weighted constraints in a differentiable pose estimation. Training feature matching with gradients from pose optimization naturally learns to down-weight outliers and boosts pose estimation on image pairs compared to SuperGlue by 6.7% on ScanNet. At the same time, it reduces the pose estimation time by over 50% and renders RANSAC iterations unnecessary. Moreover, we integrate information from multiple views by spanning the graph across multiple frames to predict the matches all at once. Multi-view matching combined with end-to-end training improves the pose estimation metrics on Matterport3D by 18.5% compared to SuperGlue.

We propose the MAC-VO, a novel learning-based stereo VO that leverages the learned metrics-aware matching uncertainty for dual purposes: selecting keypoint and weighing the residual in pose graph optimization. Compared to traditional geometric methods prioritizing texture-affluent features like edges, our keypoint selector employs the learned uncertainty to filter out the low-quality features based on global inconsistency. In contrast to the learning-based algorithms that model the scale-agnostic diagonal weight matrix for covariance, we design a metrics-aware covariance model to capture the spatial error during keypoint registration and the correlations between different axes. Integrating this covariance model into pose graph optimization enhances the robustness and reliability of pose estimation, particularly in challenging environments with varying illumination, feature density, and motion patterns. On public benchmark datasets, MAC-VO outperforms existing VO algorithms and even some SLAM algorithms in challenging environments. The covariance map also provides valuable information about the reliability of the estimated poses, which can benefit decision-making for autonomous systems.

Reader reviews of literary fiction on social media, especially those in persistent, dedicated forums, create and are in turn driven by underlying narrative frameworks. In their comments about a novel, readers generally include only a subset of characters and their relationships, thus offering a limited perspective on that work. Yet in aggregate, these reviews capture an underlying narrative framework comprised of different actants (people, places, things), their roles, and interactions that we label the "consensus narrative framework". We represent this framework in the form of an actant-relationship story graph. Extracting this graph is a challenging computational problem, which we pose as a latent graphical model estimation problem. Posts and reviews are viewed as samples of sub graphs/networks of the hidden narrative framework. Inspired by the qualitative narrative theory of Greimas, we formulate a graphical generative Machine Learning (ML) model where nodes represent actants, and multi-edges and self-loops among nodes capture context-specific relationships. We develop a pipeline of interlocking automated methods to extract key actants and their relationships, and apply it to thousands of reviews and comments posted on Goodreads.com. We manually derive the ground truth narrative framework from SparkNotes, and then use word embedding tools to compare relationships in ground truth networks with our extracted networks. We find that our automated methodology generates highly accurate consensus narrative frameworks: for our four target novels, with approximately 2900 reviews per novel, we report average coverage/recall of important relationships of > 80% and an average edge detection rate of >89\%. These extracted narrative frameworks can generate insight into how people (or classes of people) read and how they recount what they have read to others.

The R-Learner is a powerful, theoretically-grounded framework for estimating heterogeneous treatment effects, prized for its robustness to nuisance model errors. However, its application to network data, where causal heterogeneity is often graph-dependent, presents a critical challenge to its core assumption of a well-specified final-stage model. In this paper, we conduct a large-scale empirical study to systematically dissect the R-Learner framework on graphs. We provide the first rigorous evidence that the primary driver of performance is the inductive bias of the final-stage CATE estimator, an effect that dominates the choice of nuisance models. Our central finding is the quantification of a catastrophic "representation bottleneck": we prove with overwhelming statistical significance (p < 0.001) that R-Learners with a graph-blind final stage fail completely (MSE > 4.0), even when paired with powerful GNN nuisance models. Conversely, our proposed end-to-end Graph R-Learner succeeds and significantly outperforms a strong, non-DML GNN T-Learner baseline. Furthermore, we identify and provide a mechanistic explanation for a subtle, topology-dependent "nuisance bottleneck," linking it to GNN over-squashing via a targeted "Hub-Periphery Trade-off" analysis. Our findings are validated across diverse synthetic and semi-synthetic benchmarks. We release our code as a reproducible benchmark to facilitate future research on this critical "final-stage bottleneck."

Mixture of experts (MoE) are a popular class of statistical and machine learning models that have gained attention over the years due to their flexibility and efficiency. In this work, we consider Gaussian-gated localized MoE (GLoME) and block-diagonal covariance localized MoE (BLoME) regression models to present nonlinear relationships in heterogeneous data with potential hidden graph-structured interactions between high-dimensional predictors. These models pose difficult statistical estimation and model selection questions, both from a computational and theoretical perspective. This paper is devoted to the study of the problem of model selection among a collection of GLoME or BLoME models characterized by the number of mixture components, the complexity of Gaussian mean experts, and the hidden block-diagonal structures of the covariance matrices, in a penalized maximum likelihood estimation framework. In particular, we establish non-asymptotic risk bounds that take the form of weak oracle inequalities, provided that lower bounds for the penalties hold. The good empirical behavior of our models is then demonstrated on synthetic and real datasets.

Automatic perception of human behaviors during social interactions is crucial for AR/VR applications, and an essential component is estimation of plausible 3D human pose and shape of our social partners from the egocentric view. One of the biggest challenges of this task is severe body truncation due to close social distances in egocentric scenarios, which brings large pose ambiguities for unseen body parts. To tackle this challenge, we propose a novel scene-conditioned diffusion method to model the body pose distribution. Conditioned on the 3D scene geometry, the diffusion model generates bodies in plausible human-scene interactions, with the sampling guided by a physics-based collision score to further resolve human-scene inter-penetrations. The classifier-free training enables flexible sampling with different conditions and enhanced diversity. A visibility-aware graph convolution model guided by per-joint visibility serves as the diffusion denoiser to incorporate inter-joint dependencies and per-body-part control. Extensive evaluations show that our method generates bodies in plausible interactions with 3D scenes, achieving both superior accuracy for visible joints and diversity for invisible body parts. The code will be available at https://sanweiliti.github.io/egohmr/egohmr.html.

Video anomaly detection is an ill-posed problem because it relies on many parameters such as appearance, pose, camera angle, background, and more. We distill the problem to anomaly detection of human pose, thus decreasing the risk of nuisance parameters such as appearance affecting the result. Focusing on pose alone also has the side benefit of reducing bias against distinct minority groups. Our model works directly on human pose graph sequences and is exceptionally lightweight (~1K parameters), capable of running on any machine able to run the pose estimation with negligible additional resources. We leverage the highly compact pose representation in a normalizing flows framework, which we extend to tackle the unique characteristics of spatio-temporal pose data and show its advantages in this use case. The algorithm is quite general and can handle training data of only normal examples as well as a supervised setting that consists of labeled normal and abnormal examples. We report state-of-the-art results on two anomaly detection benchmarks - the unsupervised ShanghaiTech dataset and the recent supervised UBnormal dataset.

Learning visual representations with self-supervised learning has become popular in computer vision. The idea is to design auxiliary tasks where labels are free to obtain. Most of these tasks end up providing data to learn specific kinds of invariance useful for recognition. In this paper, we propose to exploit different self-supervised approaches to learn representations invariant to (i) inter-instance variations (two objects in the same class should have similar features) and (ii) intra-instance variations (viewpoint, pose, deformations, illumination, etc). Instead of combining two approaches with multi-task learning, we argue to organize and reason the data with multiple variations. Specifically, we propose to generate a graph with millions of objects mined from hundreds of thousands of videos. The objects are connected by two types of edges which correspond to two types of invariance: "different instances but a similar viewpoint and category" and "different viewpoints of the same instance". By applying simple transitivity on the graph with these edges, we can obtain pairs of images exhibiting richer visual invariance. We use this data to train a Triplet-Siamese network with VGG16 as the base architecture and apply the learned representations to different recognition tasks. For object detection, we achieve 63.2% mAP on PASCAL VOC 2007 using Fast R-CNN (compare to 67.3% with ImageNet pre-training). For the challenging COCO dataset, our method is surprisingly close (23.5%) to the ImageNet-supervised counterpart (24.4%) using the Faster R-CNN framework. We also show that our network can perform significantly better than the ImageNet network in the surface normal estimation task.

Inverse design refers to the problem of optimizing the input of an objective function in order to enact a target outcome. For many real-world engineering problems, the objective function takes the form of a simulator that predicts how the system state will evolve over time, and the design challenge is to optimize the initial conditions that lead to a target outcome. Recent developments in learned simulation have shown that graph neural networks (GNNs) can be used for accurate, efficient, differentiable estimation of simulator dynamics, and support high-quality design optimization with gradient- or sampling-based optimization procedures. However, optimizing designs from scratch requires many expensive model queries, and these procedures exhibit basic failures on either non-convex or high-dimensional problems.In this work, we show how denoising diffusion models (DDMs) can be used to solve inverse design problems efficiently and propose a particle sampling algorithm for further improving their efficiency. We perform experiments on a number of fluid dynamics design challenges, and find that our approach substantially reduces the number of calls to the simulator compared to standard techniques.

Personalizing large language models (LLMs) is important for aligning outputs with diverse user preferences, yet existing methods struggle with flexibility and generalization. We propose CoPL (Collaborative Preference Learning), a graph-based collaborative filtering framework that models user-response relationships to enhance preference estimation, particularly in sparse annotation settings. By integrating a mixture of LoRA experts, CoPL efficiently fine-tunes LLMs while dynamically balancing shared and user-specific preferences. Additionally, an optimization-free adaptation strategy enables generalization to unseen users without fine-tuning. Experiments on UltraFeedback-P demonstrate that CoPL outperforms existing personalized reward models, effectively capturing both common and controversial preferences, making it a scalable solution for personalized LLM alignment.

This paper presents the first photo-realistic LiDAR-Inertial-Camera Gaussian Splatting SLAM system that simultaneously addresses visual quality, geometric accuracy, and real-time performance. The proposed method performs robust and accurate pose estimation within a continuous-time trajectory optimization framework, while incrementally reconstructing a 3D Gaussian map using camera and LiDAR data, all in real time. The resulting map enables high-quality, real-time novel view rendering of both RGB images and depth maps. To effectively address under-reconstruction in regions not covered by the LiDAR, we employ a lightweight zero-shot depth model that synergistically combines RGB appearance cues with sparse LiDAR measurements to generate dense depth maps. The depth completion enables reliable Gaussian initialization in LiDAR-blind areas, significantly improving system applicability for sparse LiDAR sensors. To enhance geometric accuracy, we use sparse but precise LiDAR depths to supervise Gaussian map optimization and accelerate it with carefully designed CUDA-accelerated strategies. Furthermore, we explore how the incrementally reconstructed Gaussian map can improve the robustness of odometry. By tightly incorporating photometric constraints from the Gaussian map into the continuous-time factor graph optimization, we demonstrate improved pose estimation under LiDAR degradation scenarios. We also showcase downstream applications via extending our elaborate system, including video frame interpolation and fast 3D mesh extraction. To support rigorous evaluation, we construct a dedicated LiDAR-Inertial-Camera dataset featuring ground-truth poses, depth maps, and extrapolated trajectories for assessing out-of-sequence novel view synthesis. Both the dataset and code will be made publicly available on project page https://xingxingzuo.github.io/gaussian_lic2.

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond 2-WL graph separation, and n-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

This paper studies the topic modeling problem of tagged documents and images. Higher-order relations among tagged documents and images are major and ubiquitous characteristics, and play positive roles in extracting reliable and interpretable topics. In this paper, we propose the tag-topic models (TTM) to depict such higher-order topic structural dependencies within the Markov random field (MRF) framework. First, we use the novel factor graph representation of latent Dirichlet allocation (LDA)-based topic models from the MRF perspective, and present an efficient loopy belief propagation (BP) algorithm for approximate inference and parameter estimation. Second, we propose the factor hypergraph representation of TTM, and focus on both pairwise and higher-order relation modeling among tagged documents and images. Efficient loopy BP algorithm is developed to learn TTM, which encourages the topic labeling smoothness among tagged documents and images. Extensive experimental results confirm the incorporation of higher-order relations to be effective in enhancing the overall topic modeling performance, when compared with current state-of-the-art topic models, in many text and image mining tasks of broad interests such as word and link prediction, document classification, and tag recommendation.

We present ViSTA-SLAM as a real-time monocular visual SLAM system that operates without requiring camera intrinsics, making it broadly applicable across diverse camera setups. At its core, the system employs a lightweight symmetric two-view association (STA) model as the frontend, which simultaneously estimates relative camera poses and regresses local pointmaps from only two RGB images. This design reduces model complexity significantly, the size of our frontend is only 35\% that of comparable state-of-the-art methods, while enhancing the quality of two-view constraints used in the pipeline. In the backend, we construct a specially designed Sim(3) pose graph that incorporates loop closures to address accumulated drift. Extensive experiments demonstrate that our approach achieves superior performance in both camera tracking and dense 3D reconstruction quality compared to current methods. Github repository: https://github.com/zhangganlin/vista-slam

Previous studies have found that PLM-based retrieval models exhibit a preference for LLM-generated content, assigning higher relevance scores to these documents even when their semantic quality is comparable to human-written ones. This phenomenon, known as source bias, threatens the sustainable development of the information access ecosystem. However, the underlying causes of source bias remain unexplored. In this paper, we explain the process of information retrieval with a causal graph and discover that PLM-based retrievers learn perplexity features for relevance estimation, causing source bias by ranking the documents with low perplexity higher. Theoretical analysis further reveals that the phenomenon stems from the positive correlation between the gradients of the loss functions in language modeling task and retrieval task. Based on the analysis, a causal-inspired inference-time debiasing method is proposed, called Causal Diagnosis and Correction (CDC). CDC first diagnoses the bias effect of the perplexity and then separates the bias effect from the overall estimated relevance score. Experimental results across three domains demonstrate the superior debiasing effectiveness of CDC, emphasizing the validity of our proposed explanatory framework. Source codes are available at https://github.com/WhyDwelledOnAi/Perplexity-Trap.

Structured representations such as keypoints are widely used in pose transfer, conditional image generation, animation, and 3D reconstruction. However, their supervised learning requires expensive annotation for each target domain. We propose a self-supervised method that learns to disentangle object structure from the appearance with a graph of 2D keypoints linked by straight edges. Both the keypoint location and their pairwise edge weights are learned, given only a collection of images depicting the same object class. The resulting graph is interpretable, for example, AutoLink recovers the human skeleton topology when applied to images showing people. Our key ingredients are i) an encoder that predicts keypoint locations in an input image, ii) a shared graph as a latent variable that links the same pairs of keypoints in every image, iii) an intermediate edge map that combines the latent graph edge weights and keypoint locations in a soft, differentiable manner, and iv) an inpainting objective on randomly masked images. Although simpler, AutoLink outperforms existing self-supervised methods on the established keypoint and pose estimation benchmarks and paves the way for structure-conditioned generative models on more diverse datasets. Project website: https://xingzhehe.github.io/autolink/.

Learning sparse coordination graphs adaptive to the coordination dynamics among agents is a long-standing problem in cooperative multi-agent learning. This paper studies this problem and proposes a novel method using the variance of payoff functions to construct context-aware sparse coordination topologies. We theoretically consolidate our method by proving that the smaller the variance of payoff functions is, the less likely action selection will change after removing the corresponding edge. Moreover, we propose to learn action representations to effectively reduce the influence of payoff functions' estimation errors on graph construction. To empirically evaluate our method, we present the Multi-Agent COordination (MACO) benchmark by collecting classic coordination problems in the literature, increasing their difficulty, and classifying them into different types. We carry out a case study and experiments on the MACO and StarCraft II micromanagement benchmark to demonstrate the dynamics of sparse graph learning, the influence of graph sparseness, and the learning performance of our method. (The MACO benchmark and codes are publicly available at https://github.com/TonghanWang/CASEC-MACO-benchmark.)

We present a new pipeline for holistic 3D scene understanding from a single image, which could predict object shapes, object poses, and scene layout. As it is a highly ill-posed problem, existing methods usually suffer from inaccurate estimation of both shapes and layout especially for the cluttered scene due to the heavy occlusion between objects. We propose to utilize the latest deep implicit representation to solve this challenge. We not only propose an image-based local structured implicit network to improve the object shape estimation, but also refine the 3D object pose and scene layout via a novel implicit scene graph neural network that exploits the implicit local object features. A novel physical violation loss is also proposed to avoid incorrect context between objects. Extensive experiments demonstrate that our method outperforms the state-of-the-art methods in terms of object shape, scene layout estimation, and 3D object detection.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

Robust estimation is essential in correspondence-based Point Cloud Registration (PCR). Existing methods using maximal clique search in compatibility graphs achieve high recall but suffer from exponential time complexity, limiting their use in time-sensitive applications. To address this challenge, we propose a fast and robust estimator, TurboReg, built upon a novel lightweight clique, TurboClique, and a highly parallelizable Pivot-Guided Search (PGS) algorithm. First, we define the TurboClique as a 3-clique within a highly-constrained compatibility graph. The lightweight nature of the 3-clique allows for efficient parallel searching, and the highly-constrained compatibility graph ensures robust spatial consistency for stable transformation estimation. Next, PGS selects matching pairs with high SC^2 scores as pivots, effectively guiding the search toward TurboCliques with higher inlier ratios. Moreover, the PGS algorithm has linear time complexity and is significantly more efficient than the maximal clique search with exponential time complexity. Extensive experiments show that TurboReg achieves state-of-the-art performance across multiple real-world datasets, with substantial speed improvements. For example, on the 3DMatch+FCGF dataset, TurboReg (1K) operates 208.22times faster than 3DMAC while also achieving higher recall. Our code is accessible at https://github.com/Laka-3DV/TurboReg{TurboReg}.

A k-clique is a dense graph, consisting of k fully-connected nodes, that finds numerous applications, such as community detection and network analysis. In this paper, we study a new problem, that finds a maximum set of disjoint k-cliques in a given large real-world graph with a user-defined fixed number k, which can contribute to a good performance of teaming collaborative events in online games. However, this problem is NP-hard when k geq 3, making it difficult to solve. To address that, we propose an efficient lightweight method that avoids significant overheads and achieves a k-approximation to the optimal, which is equipped with several optimization techniques, including the ordering method, degree estimation in the clique graph, and a lightweight implementation. Besides, to handle dynamic graphs that are widely seen in real-world social networks, we devise an efficient indexing method with careful swapping operations, leading to the efficient maintenance of a near-optimal result with frequent updates in the graph. In various experiments on several large graphs, our proposed approaches significantly outperform the competitors by up to 2 orders of magnitude in running time and 13.3\% in the number of computed disjoint k-cliques, which demonstrates the superiority of the proposed approaches in terms of efficiency and effectiveness.

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT^{2} (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT^{2} database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.