arXiv subjects

Wei Hu

Publications and source records attributed to Wei Hu.

At least 271 records · Page 15Linked to original sources

arXiv2020

A Benchmarking Study of Embedding-based Entity Alignment for Knowledge Graphs

Entity alignment seeks to find entities in different knowledge graphs (KGs) that refer to the same real-world object. Recent advancement in KG embedding impels the advent of embedding-based entity alignment, which encodes entities in a continuous embedding space and measures entity similarities based on the learned embeddings. In this paper, we conduct a comprehensive experimental study of this emerging field. We survey 23 recent embedding-based entity alignment approaches and categorize them based on their techniques and characteristics. We also propose a new KG sampling algorithm, with which we generate a set of dedicated benchmark datasets with various heterogeneity and distributions for a realistic evaluation. We develop an open-source library including 12 representative embedding-based entity alignment approaches, and extensively evaluate these approaches, to understand their strengths and limitations. Additionally, for several directions that have not been explored in current approaches, we perform exploratory experiments and report our preliminary findings for future studies. The benchmark datasets, open-source library and experimental results are all accessible online and will be duly maintained.

cs.CL↗

arXiv2020

The influence of the Insight-HXMT/LE time response on timing analysis

LE is the low energy telescope of Insight-HXMT. It uses swept charge devices (SCDs) to detect soft X-ray photons. The time response of LE is caused by the structure of SCDs. With theoretical analysis and Monte Carlo simulations we discuss the influence of LE time response (LTR) on the timing analysis from three aspects: the power spectral density, the pulse profile and the time lag. After the LTR, the value of power spectral density monotonously decreases with the increasing frequency. The power spectral density of a sinusoidal signal reduces by a half at frequency 536 Hz. The corresponding frequency for QPO signals is 458 Hz. The Root mean square (RMS) of QPOs holds the similar behaviour. After the LTR, the centroid frequency and full width at half maxima (FWHM) of QPOs signals do not change. The LTR reduces the RMS of pulse profiles and shifts the pulse phase. In the time domain, the LTR only reduces the peak value of the crosscorrelation function while it does not change the peak position. Thus it will not affect the result of the time lag. When considering the time lag obtained from two instruments and one among them is LE, a 1.18 ms lag is expected caused by the LTR. The time lag calculated in the frequency domain is the same as that in the time domain.

astro-ph.IM↗

arXiv2020

The Surprising Simplicity of the Early-Time Learning Dynamics of Neural Networks

Modern neural networks are often regarded as complex black-box functions whose behavior is difficult to understand owing to their nonlinear dependence on the data and the nonconvexity in their loss landscapes. In this work, we show that these common perceptions can be completely false in the early phase of learning. In particular, we formally prove that, for a class of well-behaved input distributions, the early-time learning dynamics of a two-layer fully-connected neural network can be mimicked by training a simple linear model on the inputs. We additionally argue that this surprising simplicity can persist in networks with more layers and with convolutional architecture, which we verify empirically. Key to our analysis is to bound the spectral norm of the difference between the Neural Tangent Kernel (NTK) at initialization and an affine transform of the data kernel; however, unlike many previous results utilizing the NTK, we do not require the network to have disproportionately large width, and the network is allowed to escape the kernel regime later in training.

cs.LG↗

arXiv2020

TransEdge: Translating Relation-contextualized Embeddings for Knowledge Graphs

Learning knowledge graph (KG) embeddings has received increasing attention in recent years. Most embedding models in literature interpret relations as linear or bilinear mapping functions to operate on entity embeddings. However, we find that such relation-level modeling cannot capture the diverse relational structures of KGs well. In this paper, we propose a novel edge-centric embedding model TransEdge, which contextualizes relation representations in terms of specific head-tail entity pairs. We refer to such contextualized representations of a relation as edge embeddings and interpret them as translations between entity embeddings. TransEdge achieves promising performance on different prediction tasks. Our experiments on benchmark datasets indicate that it obtains the state-of-the-art results on embedding-based entity alignment. We also show that TransEdge is complementary with conventional entity alignment methods. Moreover, it shows very competitive performance on link prediction.

cs.AI↗

arXiv2020

Extreme-Scale Density Functional Theory High Performance Computing of DGDFT for Tens of Thousands of Atoms using Millions of Cores on Sunway TaihuLight

High performance computing (HPC) is a powerful tool to accelerate the Kohn-Sham density functional theory (KS-DFT) calculations on modern heterogeneous supercomputers. Here, we describe a massively extreme-scale parallel and portable implementation of discontinuous Galerkin density functional theory (DGDFT) method on the Sunway TaihuLight supercomputer. The DGDFT method uses the adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field (SCF) iteration to solve the KS equations with the high precision comparable to that of plane-wave basis set. In particular, the DGDFT method adopts a two-level parallelization strategy that makes use of different types of data distribution, task scheduling, and data communication schemes, and combines with the feature of master-slave multi-thread heterogeneous parallelism of SW26010 processor, resulting in extreme-scale HPC KS-DFT calculations on the Sunway TaihuLight supercomputer. We show that the DGDFT method can scale up to 8,519,680 processing cores (131,072 core groups) on the Sunway TaihuLight supercomputer for investigating the electronic structures of two-dimensional (2D) metallic graphene systems containing tens of thousands of carbon atoms.

physics.comp-ph↗

arXiv2020

3D Dynamic Point Cloud Denoising via Spatial-Temporal Graph Learning

The prevalence of accessible depth sensing and 3D laser scanning techniques has enabled the convenient acquisition of 3D dynamic point clouds, which provide efficient representation of arbitrarily-shaped objects in motion. Nevertheless, dynamic point clouds are often perturbed by noise due to hardware, software or other causes. While a plethora of methods have been proposed for static point cloud denoising, few efforts are made for the denoising of dynamic point clouds with varying number of irregularly-sampled points in each frame. In this paper, we represent dynamic point clouds naturally on graphs and address the denoising problem by inferring the underlying graph via spatio-temporal graph learning, exploiting both the intra-frame similarity and inter-frame consistency. Firstly, assuming the availability of a relevant feature vector per node, we pose spatial-temporal graph learning as optimizing a Mahalanobis distance metric $\mathbf{M}$, which is formulated as the minimization of graph Laplacian regularizer. Secondly, to ease the optimization of the symmetric and positive definite metric matrix $\mathbf{M}$, we decompose it into $\mathbf{M}=\mathbf{R}^{\top}\mathbf{R}$ and solve $\mathbf{R}$ instead via proximal gradient. Finally, based on the spatial-temporal graph learning, we formulate dynamic point cloud denoising as the joint optimization of the desired point cloud and underlying spatio-temporal graph, which leverages both intra-frame affinities and inter-frame consistency and is solved via alternating minimization. Experimental results show that the proposed method significantly outperforms independent denoising of each frame from state-of-the-art static point cloud denoising approaches.

cs.CV↗

arXiv2020

3D Dynamic Point Cloud Inpainting via Temporal Consistency on Graphs

With the development of 3D laser scanning techniques and depth sensors, 3D dynamic point clouds have attracted increasing attention as a representation of 3D objects in motion, enabling various applications such as 3D immersive tele-presence, gaming and navigation. However, dynamic point clouds usually exhibit holes of missing data, mainly due to the fast motion, the limitation of acquisition and complicated structure. Leveraging on graph signal processing tools, we represent irregular point clouds on graphs and propose a novel inpainting method exploiting both intra-frame self-similarity and inter-frame consistency in 3D dynamic point clouds. Specifically, for each missing region in every frame of the point cloud sequence, we search for its self-similar regions in the current frame and corresponding ones in adjacent frames as references. Then we formulate dynamic point cloud inpainting as an optimization problem based on the two types of references, which is regularized by a graph-signal smoothness prior. Experimental results show the proposed approach outperforms three competing methods significantly, both in objective and subjective quality.

cs.GR↗

arXiv2020

Interpolative separable density fitting decomposition for accelerating Hartree-Fock exchange calculations within numerical atomic orbitals

The high cost associated with the evaluation of Hartree-Fock exchange (HFX) makes hybrid functionals computationally challenging for large systems. In this work, we present an efficient way to accelerate HFX calculations with numerical atomic basis sets. Our approach is based on the recently proposed interpolative separable density fitting (ISDF) decomposition to construct a low rank approximation of HFX matrix, which avoids explicit calculations of the electron repulsion integrals (ERIs) and significantly reduces the computational cost. We implement the ISDF method for hybrid functional (PBE0) calculations in the HONPAS package. We take benzene and polycyclic aromatic hydrocarbons molecules as examples and demonstrate that hybrid functionals with ISDF yields quite promising results at a significantly reduced computational cost. Especially, the ISDF approach reduces the total cost for evaluating HFX matrix by nearly 2 orders of magnitude compared to conventional approaches of direct evaluation of ERIs.

physics.comp-ph↗

arXiv2020

GraphTER: Unsupervised Learning of Graph Transformation Equivariant Representations via Auto-Encoding Node-wise Transformations

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature representations in an unsupervised manner in practice. To this end, we propose a novel unsupervised learning of Graph Transformation Equivariant Representations (GraphTER), aiming to capture intrinsic patterns of graph structure under both global and local transformations. Specifically, we allow to sample different groups of nodes from a graph and then transform them node-wise isotropically or anisotropically. Then, we self-train a representation encoder to capture the graph structures by reconstructing these node-wise transformations from the feature representations of the original and transformed graphs. In experiments, we apply the learned GraphTER to graphs of 3D point cloud data, and results on point cloud segmentation/classification show that GraphTER significantly outperforms state-of-the-art unsupervised approaches and pushes greatly closer towards the upper bound set by the fully supervised counterparts. The code is available at: https://github.com/gyshgx868/graph-ter.

cs.CV↗

arXiv2020

Realistic Re-evaluation of Knowledge Graph Completion Methods: An Experimental Study

In the active research area of employing embedding models for knowledge graph completion, particularly for the task of link prediction, most prior studies used two benchmark datasets FB15k and WN18 in evaluating such models. Most triples in these and other datasets in such studies belong to reverse and duplicate relations which exhibit high data redundancy due to semantic duplication, correlation or data incompleteness. This is a case of excessive data leakage---a model is trained using features that otherwise would not be available when the model needs to be applied for real prediction. There are also Cartesian product relations for which every triple formed by the Cartesian product of applicable subjects and objects is a true fact. Link prediction on the aforementioned relations is easy and can be achieved with even better accuracy using straightforward rules instead of sophisticated embedding models. A more fundamental defect of these models is that the link prediction scenario, given such data, is non-existent in the real-world. This paper is the first systematic study with the main objective of assessing the true effectiveness of embedding models when the unrealistic triples are removed. Our experiment results show these models are much less accurate than what we used to perceive. Their poor accuracy renders link prediction a task without truly effective automated solution. Hence, we call for re-investigation of possible effective approaches.

cs.AI↗

arXiv2020

Graph Metric Learning via Gershgorin Disc Alignment

We propose a fast general projection-free metric learning framework, where the minimization objective $\min_{\textbf{M} \in \mathcal{S}} Q(\textbf{M})$ is a convex differentiable function of the metric matrix $\textbf{M}$, and $\textbf{M}$ resides in the set $\mathcal{S}$ of generalized graph Laplacian matrices for connected graphs with positive edge weights and node degrees. Unlike low-rank metric matrices common in the literature, $\mathcal{S}$ includes the important positive-diagonal-only matrices as a special case in the limit. The key idea for fast optimization is to rewrite the positive definite cone constraint in $\mathcal{S}$ as signal-adaptive linear constraints via Gershgorin disc alignment, so that the alternating optimization of the diagonal and off-diagonal terms in $\textbf{M}$ can be solved efficiently as linear programs via Frank-Wolfe iterations. We prove that the Gershgorin discs can be aligned perfectly using the first eigenvector $\textbf{v}$ of $\textbf{M}$, which we update iteratively using Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) with warm start as diagonal / off-diagonal terms are optimized. Experiments show that our efficiently computed graph metric matrices outperform metrics learned using competing methods in terms of classification tasks.

cs.LG↗

arXiv2020

Crowdsourced Collective Entity Resolution with Relational Match Propagation

Knowledge bases (KBs) store rich yet heterogeneous entities and facts. Entity resolution (ER) aims to identify entities in KBs which refer to the same real-world object. Recent studies have shown significant benefits of involving humans in the loop of ER. They often resolve entities with pairwise similarity measures over attribute values and resort to the crowds to label uncertain ones. However, existing methods still suffer from high labor costs and insufficient labeling to some extent. In this paper, we propose a novel approach called crowdsourced collective ER, which leverages the relationships between entities to infer matches jointly rather than independently. Specifically, it iteratively asks human workers to label picked entity pairs and propagates the labeling information to their neighbors in distance. During this process, we address the problems of candidate entity pruning, probabilistic propagation, optimal question selection and error-tolerant truth inference. Our experiments on real-world datasets demonstrate that, compared with state-of-the-art methods, our approach achieves superior accuracy with much less labeling.

cs.DB↗

arXiv2020

Open Knowledge Enrichment for Long-tail Entities

Knowledge bases (KBs) have gradually become a valuable asset for many AI applications. While many current KBs are quite large, they are widely acknowledged as incomplete, especially lacking facts of long-tail entities, e.g., less famous persons. Existing approaches enrich KBs mainly on completing missing links or filling missing values. However, they only tackle a part of the enrichment problem and lack specific considerations regarding long-tail entities. In this paper, we propose a full-fledged approach to knowledge enrichment, which predicts missing properties and infers true facts of long-tail entities from the open Web. Prior knowledge from popular entities is leveraged to improve every enrichment step. Our experiments on the synthetic and real-world datasets and comparison with related work demonstrate the feasibility and superiority of the approach.

cs.IR↗

arXiv2020

Provable Benefit of Orthogonal Initialization in Optimizing Deep Linear Networks

The selection of initial parameter values for gradient-based optimization of deep neural networks is one of the most impactful hyperparameter choices in deep learning systems, affecting both convergence times and model performance. Yet despite significant empirical and theoretical analysis, relatively little has been proved about the concrete effects of different initialization schemes. In this work, we analyze the effect of initialization in deep linear networks, and provide for the first time a rigorous proof that drawing the initial weights from the orthogonal group speeds up convergence relative to the standard Gaussian initialization with iid weights. We show that for deep networks, the width needed for efficient convergence to a global minimum with orthogonal initializations is independent of the depth, whereas the width needed for efficient convergence with Gaussian initializations scales linearly in the depth. Our results demonstrate how the benefits of a good initialization can persist throughout learning, suggesting an explanation for the recent empirical successes found by initializing very deep non-linear networks according to the principle of dynamical isometry.

cs.LG↗

arXiv2020

Feature Graph Learning for 3D Point Cloud Denoising

Identifying an appropriate underlying graph kernel that reflects pairwise similarities is critical in many recent graph spectral signal restoration schemes, including image denoising, dequantization, and contrast enhancement. Existing graph learning algorithms compute the most likely entries of a properly defined graph Laplacian matrix $\mathbf{L}$, but require a large number of signal observations $\mathbf{z}$'s for a stable estimate. In this work, we assume instead the availability of a relevant feature vector $\mathbf{f}_i$ per node $i$, from which we compute an optimal feature graph via optimization of a feature metric. Specifically, we alternately optimize the diagonal and off-diagonal entries of a Mahalanobis distance matrix $\mathbf{M}$ by minimizing the graph Laplacian regularizer (GLR) $\mathbf{z}^{\top} \mathbf{L} \mathbf{z}$, where edge weight is $w_{i,j} = \exp\{-(\mathbf{f}_i - \mathbf{f}_j)^{\top} \mathbf{M} (\mathbf{f}_i - \mathbf{f}_j) \}$, given a single observation $\mathbf{z}$. We optimize diagonal entries via proximal gradient (PG), where we constrain $\mathbf{M}$ to be positive definite (PD) via linear inequalities derived from the Gershgorin circle theorem. To optimize off-diagonal entries, we design a block descent algorithm that iteratively optimizes one row and column of $\mathbf{M}$. To keep $\mathbf{M}$ PD, we constrain the Schur complement of sub-matrix $\mathbf{M}_{2,2}$ of $\mathbf{M}$ to be PD when optimizing via PG. Our algorithm mitigates full eigen-decomposition of $\mathbf{M}$, thus ensuring fast computation speed even when feature vector $\mathbf{f}_i$ has high dimension. To validate its usefulness, we apply our feature graph learning algorithm to the problem of 3D point cloud denoising, resulting in state-of-the-art performance compared to competing schemes in extensive experiments.

cs.CV↗

arXiv2020

Explaining Landscape Connectivity of Low-cost Solutions for Multilayer Nets

Mode connectivity is a surprising phenomenon in the loss landscape of deep nets. Optima -- at least those discovered by gradient-based optimization -- turn out to be connected by simple paths on which the loss function is almost constant. Often, these paths can be chosen to be piece-wise linear, with as few as two segments. We give mathematical explanations for this phenomenon, assuming generic properties (such as dropout stability and noise stability) of well-trained deep nets, which have previously been identified as part of understanding the generalization properties of deep nets. Our explanation holds for realistic multilayer nets, and experiments are presented to verify the theory.

cs.LG↗

arXiv2019

Giant enhancement of critical current density at high field in superconducting (Li,Fe)OHFeSe films by Mn doping

Critical current density (Jc) is one of the major limiting factors for high field applications of iron-based superconductors. Here, we report that Mn-ions are successfully incorporated into nontoxic superconducting (Li,Fe)OHFeSe films. Remarkably, the Jc is significantly enhanced from 0.03 to 0.32 MA/cm^2 under 33 T, and the vortex pinning force density monotonically increases up to 106 GN/m^3, which is the highest record so far among all iron-based superconductors. Our results demonstrate that Mn incorporation is an effective method to optimize the performance of (Li,Fe)OHFeSe films, offering a promising candidate for high-field applications.

cond-mat.supr-con↗

arXiv2019

Knowledge Graph Alignment Network with Gated Multi-hop Neighborhood Aggregation

Graph neural networks (GNNs) have emerged as a powerful paradigm for embedding-based entity alignment due to their capability of identifying isomorphic subgraphs. However, in real knowledge graphs (KGs), the counterpart entities usually have non-isomorphic neighborhood structures, which easily causes GNNs to yield different representations for them. To tackle this problem, we propose a new KG alignment network, namely AliNet, aiming at mitigating the non-isomorphism of neighborhood structures in an end-to-end manner. As the direct neighbors of counterpart entities are usually dissimilar due to the schema heterogeneity, AliNet introduces distant neighbors to expand the overlap between their neighborhood structures. It employs an attention mechanism to highlight helpful distant neighbors and reduce noises. Then, it controls the aggregation of both direct and distant neighborhood information using a gating mechanism. We further propose a relation loss to refine entity representations. We perform thorough experiments with detailed ablation studies and analyses on five entity alignment datasets, demonstrating the effectiveness of AliNet.

cs.CL↗