arXiv subjects

Sibo Zhao

Publications and source records attributed to Sibo Zhao.

6 recordsLinked to original sources

arXiv2025

RAE: A Rule-Driven Approach for Attribute Embedding in Property Graph Recommendation

Recommendation systems are crucial in modern applications to enhance the user experience and drive business conversion rates through personalization. However, insufficient utilization of attribute information within the property graph remains a significant challenge. Most existing graph convolutional network (GCN) models do not consider attribute information, and those that do often employ a simplified triple format , which fails to fully exploit the rich semantic structures of property graphs necessary for effective recommendations. To overcome these limitations, we introduce Rule-Driven Approach for Attribute Embedding (RAE), a novel methodology that enhances recommendation performance by effectively mining and utilizing semantic rules from property graphs. RAE applies a rule-mining process to extract meaningful rules that guide random walks in generating enriched attribute embeddings. These enriched embeddings are subsequently integrated into GCNs, surpassing conventional triple-based embedding techniques. We evaluate RAE on real-world datasets (e.g., Blogcatalog and Flickr) and demonstrate that RAE achieves an average improvement of 10.6% in both Recall@20 and NDCG@20 compared to state-of-the-art baselines, indicating superior relevance coverage and ranking rationality in top-20 recommendations. Additionally, RAE exhibits enhanced robustness against data sparsity and the attribute missingness problem. Our novel approach underscores the significant performance gains achieved in recommendation systems by fully leveraging attribute information within property graphs, enhancing both effectiveness and reliability.

cs.IR↗

arXiv2025

FastER: On-Demand Entity Resolution in Property Graphs

Entity resolution (ER) is the problem of identifying and linking database records that refer to the same real-world entity. Traditional ER methods use batch processing, which becomes impractical with growing data volumes due to high computational costs and lack of real-time capabilities. In many applications, users need to resolve entities for only a small portion of their data, making full data processing unnecessary -- a scenario known as "ER-on-demand". This paper proposes FastER, an efficient ER-on-demand framework for property graphs. Our approach uses graph differential dependencies (GDDs) as a knowledge encoding language to design effective filtering mechanisms that leverage both structural and attribute semantics of graphs. We construct a blocking graph from filtered subgraphs to reduce the number of candidate entity pairs requiring comparison. Additionally, FastER incorporates Progressive Profile Scheduling (PPS), allowing the system to incrementally produce results throughout the resolution process. Extensive evaluations on multiple benchmark datasets demonstrate that FastER significantly outperforms state-of-the-art ER methods in computational efficiency and real-time processing for on-demand tasks while ensuring reliability. We make FastER publicly available at: https://anonymous.4open.science/r/On_Demand_Entity_Resolution-9DFB

cs.DB↗

arXiv2021

Heterogeneous relational message passing networks for molecular dynamics simulations

With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties, machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics, material science, chemistry, and biology. While existing machine learning models have yielded superior performances in many occasions, most of them model and process molecular systems in terms of homogeneous graph, which severely limits the expressive power for representing diverse interactions. In practice, graph data with multiple node and edge types is ubiquitous and more appropriate for molecular systems. Thus, we propose the heterogeneous relational message passing network (HermNet), an end-to-end heterogeneous graph neural networks, to efficiently express multiple interactions in a single model with {\it ab initio} accuracy. HermNet performs impressively against many top-performing models on both molecular and extended systems. Specifically, HermNet outperforms other tested models in nearly 75\%, 83\% and 94\% of tasks on MD17, QM9 and extended systems datasets, respectively. Finally, we elucidate how the design of HermNet is compatible with quantum mechanics from the perspective of the density functional theory. Besides, HermNet is a universal framework, whose sub-networks could be replaced by other advanced models.

cs.LG↗

arXiv2021

Ubiquitous topological states of phonons in solids: Silicon as a model material

Research on topological physics of phonons has attracted enormous interest but demands appropriate model materials. Our {\it ab initio} calculations identify silicon as an ideal candidate material containing extraordinarily rich topological phonon states. In silicon, we identify various topological nodal lines protected by glide mirror or mirror symmetries and characterized by quantized Berry phase $π$, which gives drumhead surface states observable from any surface orientations. Remarkably, a novel type of topological nexus phonon is discovered, which is featured by double Fermi-arc-like surface states and distinguished from Weyl phonons by requiring neither inversion nor time-reversal symmetry breaking. Versatile topological states can be created from the nexus phonons, such as Hopf nodal link by strain. Furthermore, we generalize the symmetry analysis to other centrosymmetric systems and find numerous candidate materials, demonstrating the ubiquitous existence of topological phonons in solids. These findings open up new opportunities for studying topological phonons in realistic materials and their influence on surface physics.

cond-mat.mtrl-sci↗

arXiv2021

Symmetry-adapted graph neural networks for constructing molecular dynamics force fields

Molecular dynamics is a powerful simulation tool to explore material properties. Most of the realistic material systems are too large to be simulated with first-principles molecular dynamics. Classical molecular dynamics has lower computational cost but requires accurate force fields to achieve chemical accuracy. In this work, we develop a symmetry-adapted graph neural networks framework, named molecular dynamics graph neural networks (MDGNN), to construct force fields automatically for molecular dynamics simulations for both molecules and crystals. This architecture consistently preserves the translation, rotation and permutation invariance in the simulations. We propose a new feature engineering method including higher order contributions and show that MDGNN accurately reproduces the results of both classical and first-principles molecular dynamics. We also demonstrate that force fields constructed by the model has good transferability. Therefore, MDGNN provides an efficient and promising option for molecular dynamics simulations of large scale systems with high accuracy.

physics.comp-ph↗

arXiv2019

First-principles calculation of optical responses based on nonorthogonal localized orbitals

Based on ab initio software packages using nonorthogonal localized orbitals, we develop a general scheme of calculating response functions. We test the performance of this method by calculating nonlinear optical responses of materials, like the shift current conductivity of monolayer WS2, and achieve good agreement with previous calculations. This method bears many similarities to Wannier interpolation, which requires a challenging optimization of Wannier functions due to the conflicting requirements of orthogonality and localization. Although computationally heavier compared to Wannier interpolation, our procedure avoids the construction of Wannier functions and thus enables automated high throughput calculations of linear and nonlinear responses related to electrical, magnetic and optical material properties.

cond-mat.mtrl-sci↗