arXiv subjects

Longlong Li

Publications and source records attributed to Longlong Li.

14 recordsLinked to original sources

arXiv2026

PEARL: Path-Entity Aligned Relational Learning with Contextual Subgraphs for Inductive Knowledge Graph Completion

Inductive knowledge graph completion (IKGC) aims to predict missing links involving entities unseen during training, requiring models to learn transferable relational and structural patterns. Existing subgraph- and path-based approaches often encode relational paths independently of their surrounding query subgraphs, although the predictive relevance of a path may vary across structural contexts. We propose PEARL, a Path-Entity Aligned Relational Learning framework that models paths as context-conditioned reasoning signals. PEARL constructs a query-specific contextual subgraph from the union of the query entities' neighborhoods and uses a large language model (LLM)-guided retriever to distill semantically relevant paths. It then builds a bipartite interaction graph over paths, contextual entities, and a global subgraph representation, allowing path embeddings to adapt to local and global structural evidence. To suppress noise introduced by the enlarged context, PEARL employs a dual-view contrastive objective that promotes representation consistency under stochastic contextual perturbations. Experiments on WN18RR, FB15k-237, and NELL-995 show that PEARL obtains the best average Hits@10 among the compared IKGC methods on all three benchmarks. Ablation studies, efficiency analyses, and case studies further validate the contributions of contextual subgraph modeling, semantic path retrieval, path-entity interaction, and contrastive regularization.

cs.AI↗

arXiv2026

Full-Spectrum Graph Neural Networks: Expressive and Scalable

It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Weisfeiler-Lehman test, which is mirrored in their lack of universality for higher-order signals. To go beyond this bound, we propose the Full-Spectrum GNNs (FSpecGNNs), a second-order generalization of classical spectral GNNs. FSpecGNN advances spectral filtering from two perspectives: (1) it lifts signals from the node domain to the node-pair domain; and (2) it extends the univariate spectral filter over eigenvalues to a bivariate filter over eigenvalue pairs. We show that classical spectral GNNs arise as a diagonal special case of FSpecGNNs, and prove that FSpecGNNs can be at most as expressive as Local 2-GNN while universally approximating node-pair signals, the latter being particularly beneficial for heterophilic graph learning. Moreover, FSpecGNN admits scalable implementations that avoid explicit node-pair-level computations; combined with a low-rank approximation that reduces full-spectrum convolution to a combination of polynomial spectral filters, it enables learning on large graphs. Empirically, FSpecGNN validates the predicted expressivity and delivers strong performance on heterophilic benchmarks.

cs.LG↗

arXiv2026

Cheeger--Hodge Contrastive Learning for Structurally Robust Graph Representation Learning

Graph Contrastive Learning (GCL) has emerged as a prominent framework for unsupervised graph representation learning. However, relying on augmentation design alone to define the invariances learned by GCL can be brittle under structural perturbations. To address this issue, we propose Cheeger--Hodge Contrastive Learning (CHCL), a framework that aligns a perturbation-stable Cheeger--Hodge joint signature across augmented views for robust graph representation learning. The proposed signature combines a Cheeger-inspired connectivity signature derived from the algebraic connectivity \(\lambda_2\) with the low-frequency spectrum of the 1-Hodge Laplacian, thereby capturing both global connectivity and higher-order structural information. By aligning encoder representations with the proposed Cheeger--Hodge joint signature across augmented views, CHCL learns graph embeddings that are robust to local structural perturbations. Extensive experiments on standard benchmarks, transfer settings demonstrate that CHCL consistently improves performance, robustness, and generalization.

cs.LG↗

arXiv2026

MISApp: Multi-Hop Intent-Aware Session Graph Learning for Next App Prediction

Predicting the next mobile app a user will launch is essential for proactive mobile services. Yet accurate prediction remains challenging in real-world settings, where user intent can shift rapidly within short sessions and user-specific historical profiles are often sparse or unavailable, especially under cold-start conditions. Existing approaches mainly model app usage as sequential behavior or local session transitions, limiting their ability to capture higher-order structural dependencies and evolving session intent. To address this issue, we propose MISApp, a profile-free framework for next app prediction based on multi-hop session graph learning. MISApp constructs multi-hop session graphs to capture transition dependencies at different structural ranges, learns session representations through lightweight graph propagation, incorporates temporal context and similarity-based spatial categorization to characterize session conditions, and captures intent evolution from recent interactions. Experiments on two real-world app usage datasets show that MISApp consistently outperforms competitive baselines under both standard and cold-start settings, while maintaining a favorable balance between predictive accuracy and practical efficiency. Further analyses show that multi-hop relations capture higher-hop-specific predictive signals beyond direct 1-Hop adjacency, and that the learned hop-level attention weights align well with structural relevance, providing both empirical and interpretable evidence for the effectiveness of the proposed multi-hop modeling strategy.

cs.LG↗

arXiv2026

MGKAN: Predicting Asymmetric Drug-Drug Interactions via a Multimodal Graph Kolmogorov-Arnold Network

Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric assumptions, limiting their ability to capture nonlinear and heterogeneous patterns. We propose MGKAN, a Graph Kolmogorov-Arnold Network that introduces learnable basis functions into asymmetric DDI prediction. MGKAN replaces conventional MLP transformations with KAN-driven basis functions, enabling more expressive and nonlinear modeling of drug relationships. To capture pharmacological dependencies, MGKAN integrates three network views-an asymmetric DDI network, a co-interaction network, and a biochemical similarity network-with role-specific embeddings to preserve directional semantics. A fusion module combines linear attention and nonlinear transformation to enhance representational capacity. On two benchmark datasets, MGKAN outperforms seven state-of-the-art baselines. Ablation studies and case studies confirm its predictive accuracy and effectiveness in modeling directional drug effects.

cs.LG↗

arXiv2025

Dynamically Weighted Momentum with Adaptive Step Sizes for Efficient Deep Network Training

Within the current sphere of deep learning research, despite the extensive application of optimization algorithms such as Stochastic Gradient Descent (SGD) and Adaptive Moment Estimation (Adam), there remains a pronounced inadequacy in their capability to address fluctuations in learning efficiency, meet the demands of complex models, and tackle non-convex optimization issues. These challenges primarily arise from the algorithms' limitations in handling complex data structures and models, for instance, difficulties in selecting an appropriate learning rate, avoiding local optima, and navigating through high-dimensional spaces. To address these issues, this paper introduces a novel optimization algorithm named DWMGrad. This algorithm, building on the foundations of traditional methods, incorporates a dynamic guidance mechanism reliant on historical data to dynamically update momentum and learning rates. This allows the optimizer to flexibly adjust its reliance on historical information, adapting to various training scenarios. This strategy not only enables the optimizer to better adapt to changing environments and task complexities but also, as validated through extensive experimentation, demonstrates DWMGrad's ability to achieve faster convergence rates and higher accuracies under a multitude of scenarios.

cs.LG↗

arXiv2025

Multi-Scale Harmonic Encoding for Feature-Wise Graph Message Passing

Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative components, especially when graph structures exhibit distinct frequency characteristics. We propose MSH-GNN (Multi-Scale Harmonic Graph Neural Network), a frequency-aware message passing framework that performs feature-wise adaptive propagation. Each node projects incoming messages onto node-conditioned feature subspaces derived from its own representation, enabling selective extraction of frequency-relevant components. Learnable multi-scale harmonic modulations further allow the model to capture both smooth and oscillatory structural patterns. A frequency-aware attention pooling mechanism is introduced for graph-level readout. We show that MSH-GNN admits an interpretation as a learnable Fourier-feature approximation of kernelized message functions and matches the expressive power of the 1-Weisfeiler-Lehman (1-WL) test. Extensive experiments on node- and graph-level benchmarks demonstrate consistent improvements over state-of-the-art methods, particularly in joint structure-frequency analysis tasks.

cs.LG↗

arXiv2025

Rhomboid Tiling for Geometric Graph Deep Learning

Graph Neural Networks (GNNs) have proven effective for learning from graph-structured data through their neighborhood-based message passing framework. Many hierarchical graph clustering pooling methods modify this framework by introducing clustering-based strategies, enabling the construction of more expressive and powerful models. However, all of these message passing framework heavily rely on the connectivity structure of graphs, limiting their ability to capture the rich geometric features inherent in geometric graphs. To address this, we propose Rhomboid Tiling (RT) clustering, a novel clustering method based on the rhomboid tiling structure, which performs clustering by leveraging the complex geometric information of the data and effectively extracts its higher-order geometric structures. Moreover, we design RTPool, a hierarchical graph clustering pooling model based on RT clustering for graph classification tasks. The proposed model demonstrates superior performance, outperforming 21 state-of-the-art competitors on all the 7 benchmark datasets.

cs.LG↗

arXiv2025

TGT: A Temporal Gating Transformer for Smartphone App Usage Prediction

Accurately predicting smartphone app usage is challenging due to the sparsity and irregularity of user behavior, especially under cold-start and low-activity conditions. Existing approaches mostly rely on static or attention-only architectures, which struggle to model fine-grained temporal dynamics. We propose TGT, a Transformer framework equipped with a temporal gating module that conditions hidden representations on the hour-of-day. Unlike conventional time embeddings, temporal gating adaptively rescales feature dimensions in a time-aware manner, working orthogonally to self-attention and strengthening temporal sensitivity. TGT further incorporates a context-aware encoder that integrates session sequences and user profiles into a unified representation. Experiments on two real-world datasets, Tsinghua App Usage and LSApp, demonstrate that TGT significantly outperforms 15 competitive baselines, achieving notable gains in HR@1 and maintaining robustness under cold-start scenarios. Beyond accuracy, analysis of gating vectors uncovers interpretable daily usage rhythms, showing that TGT learns human-consistent patterns of app behavior. These results establish TGT as both a powerful and interpretable framework for time-aware app usage prediction.

cs.LG↗

arXiv2025

Make-A-Character 2: Animatable 3D Character Generation From a Single Image

This report introduces Make-A-Character 2, an advanced system for generating high-quality 3D characters from single portrait photographs, ideal for game development and digital human applications. Make-A-Character 2 builds upon its predecessor by incorporating several significant improvements for image-based head generation. We utilize the IC-Light method to correct non-ideal illumination in input photos and apply neural network-based color correction to harmonize skin tones between the photos and game engine renders. We also employ the Hierarchical Representation Network to capture high-frequency facial structures and conduct adaptive skeleton calibration for accurate and expressive facial animations. The entire image-to-3D-character generation process takes less than 2 minutes. Furthermore, we leverage transformer architecture to generate co-speech facial and gesture actions, enabling real-time conversation with the generated character. These technologies have been integrated into our conversational AI avatar products.

cs.CV↗

arXiv2024

TopoQA: a topological deep learning-based approach for protein complex structure interface quality assessment

Even with the significant advances of AlphaFold-Multimer (AF-Multimer) and AlphaFold3 (AF3) in protein complex structure prediction, their accuracy is still not comparable with monomer structure prediction. Efficient quality assessment (QA) or estimation of model accuracy (EMA) models that can evaluate the quality of the predicted protein-complexes without knowing their native structures, are of key importance for protein structure generation and model selection. In this paper, we leverage persistent homology (PH) to capture the atomic-level topological information around residues and design a topological deep learning-based QA method, TopoQA, to assess the accuracy of protein complex interfaces. We integrate PH from topological data analysis into graph neural networks (GNNs) to characterize complex higher-order structures that GNNs might overlook, enhancing the learning of the relationship between the topological structure of complex interfaces and quality scores. Our TopoQA model is extensively validated based on the two most-widely used datasets, DBM55-AF2 and HAF2, along with our newly constructed ABAG-AF3 dataset to facilitate comparisons with AF3. For all three datasets, TopoQA outperforms AF-Multimer-based AF2Rank and shows an advantage over AF3 in nearly half of the targets. In particular, in the DBM55-AF2 dataset, a ranking loss of 73.6% lower than AF-Multimer-based AF2Rank is obtained. Further, other than AF-Multimer and AF3, we have also extensively compared with nearly-all the state-of-the-art models (as far as we know), it has been found that our TopoQA can achieve the highest Top 10 Hit-rate on the DBM55-AF2 dataset and the lowest ranking loss on the HAF2 dataset. Ablation experiments show that our topological features significantly improve the model performance. At the same time, our method also provides a new paradigm for protein structure representation learning.

q-bio.BM↗

arXiv2024

KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction

As key models in geometric deep learning, graph neural networks have demonstrated enormous power in molecular data analysis. Recently, a specially-designed learning scheme, known as Kolmogorov-Arnold Network (KAN), shows unique potential for the improvement of model accuracy, efficiency, and explainability. Here we propose the first non-trivial Kolmogorov-Arnold Network-based Graph Neural Networks (KA-GNNs), including KAN-based graph convolutional networks(KA-GCN) and KAN-based graph attention network (KA-GAT). The essential idea is to utilizes KAN's unique power to optimize GNN architectures at three major levels, including node embedding, message passing, and readout. Further, with the strong approximation capability of Fourier series, we develop Fourier series-based KAN model and provide a rigorous mathematical prove of the robust approximation capability of this Fourier KAN architecture. To validate our KA-GNNs, we consider seven most-widely-used benchmark datasets for molecular property prediction and extensively compare with existing state-of-the-art models. It has been found that our KA-GNNs can outperform traditional GNN models. More importantly, our Fourier KAN module can not only increase the model accuracy but also reduce the computational time. This work not only highlights the great power of KA-GNNs in molecular property prediction but also provides a novel geometric deep learning framework for the general non-Euclidean data analysis.

cs.LG↗

arXiv2024

Multi-Scale Deformable Transformers for Student Learning Behavior Detection in Smart Classroom

The integration of Artificial Intelligence into the modern educational system is rapidly evolving, particularly in monitoring student behavior in classrooms, a task traditionally dependent on manual observation. This conventional method is notably inefficient, prompting a shift toward more advanced solutions like computer vision. However, existing target detection models face significant challenges such as occlusion, blurring, and scale disparity, which are exacerbated by the dynamic and complex nature of classroom settings. Furthermore, these models must adeptly handle multiple target detection. To overcome these obstacles, we introduce the Student Learning Behavior Detection with Multi-Scale Deformable Transformers (SCB-DETR), an innovative approach that utilizes large convolutional kernels for upstream feature extraction, and multi-scale feature fusion. This technique significantly improves the detection capabilities for multi-scale and occluded targets, offering a robust solution for analyzing student behavior. SCB-DETR establishes an end-to-end framework that simplifies the detection process and consistently outperforms other deep learning methods. Employing our custom Student Classroom Behavior (SCBehavior) Dataset, SCB-DETR achieves a mean Average Precision (mAP) of 0.626, which is a 1.5% improvement over the baseline model's mAP and a 6% increase in AP50. These results demonstrate SCB-DETR's superior performance in handling the uneven distribution of student behaviors and ensuring precise detection in dynamic classroom environments.

cs.CV↗

arXiv2023

Photovoltaic Panel Defect Detection Based on Ghost Convolution with BottleneckCSP and Tiny Target Prediction Head Incorporating YOLOv5

Photovoltaic (PV) panel surface-defect detection technology is crucial for the PV industry to perform smart maintenance. Using computer vision technology to detect PV panel surface defects can ensure better accuracy while reducing the workload of traditional worker field inspections. However, multiple tiny defects on the PV panel surface and the high similarity between different defects make it challenging to {accurately identify and detect such defects}. This paper proposes an approach named Ghost convolution with BottleneckCSP and a tiny target prediction head incorporating YOLOv5 (GBH-YOLOv5) for PV panel defect detection. To ensure better accuracy on multiscale targets, the BottleneckCSP module is introduced to add a prediction head for tiny target detection to alleviate tiny defect misses, using Ghost convolution to improve the model inference speed and reduce the number of parameters. First, the original image is compressed and cropped to enlarge the defect size physically. Then, the processed images are input into GBH-YOLOv5, and the depth features are extracted through network processing based on Ghost convolution, the application of the BottleneckCSP module, and the prediction head of tiny targets. Finally, the extracted features are classified by a Feature Pyramid Network (FPN) and a Path Aggregation Network (PAN) structure. Meanwhile, we compare our method with state-of-the-art methods to verify the effectiveness of the proposed method. The proposed PV panel surface-defect detection network improves the mAP performance by at least 27.8%.

cs.CV↗