arXiv subjects

Tiantian He

Publications and source records attributed to Tiantian He.

At least 37 records · Page 2Linked to original sources

arXiv2025

Context-Adaptive Graph Neural Networks for Next POI Recommendation

Next Point-of-Interest (POI) recommendation is a critical task in location-based services, aiming to predict users' next visits based on their check-in histories. While many existing methods leverage Graph Neural Networks (GNNs) to incorporate collaborative information and improve recommendation accuracy, most of them model each type of context using separate graphs, treating different factors in isolation. This limits their ability to model the co-influence of multiple contextual factors on user transitions during message propagation, resulting in suboptimal attention weights and recommendation performance. Furthermore, they often prioritize sequential components as the primary predictor, potentially undermining the semantic and structural information encoded in the POI embeddings learned by GNNs. To address these limitations, we propose a Context-Adaptive Graph Neural Networks (CAGNN) for next POI recommendation, which dynamically adjusts attention weights using edge-specific contextual factors and enables mutual enhancement between graph-based and sequential components. Specifically, CAGNN introduces (1) a context-adaptive attention mechanism that jointly incorporates different types of contextual factors into the attention computation during graph propagation, enabling the model to dynamically capture collaborative and context-dependent transition patterns; (2) a graph-sequential mutual enhancement module, which aligns the outputs of the graph- and sequential-based modules via the KL divergence, enabling mutual enhancement of both components. Experimental results on three real-world datasets demonstrate that CAGNN consistently outperforms state-of-the-art methods. Meanwhile, theoretical guarantees are provided that our context-adaptive attention mechanism improves the expressiveness of POI representations.

cs.IR↗

arXiv2025

Voronoi-grid-based Pareto Front Learning and Its Application to Collaborative Federated Learning

Multi-objective optimization (MOO) exists extensively in machine learning, and aims to find a set of Pareto-optimal solutions, called the Pareto front, e.g., it is fundamental for multiple avenues of research in federated learning (FL). Pareto-Front Learning (PFL) is a powerful method implemented using Hypernetworks (PHNs) to approximate the Pareto front. This method enables the acquisition of a mapping function from a given preference vector to the solutions on the Pareto front. However, most existing PFL approaches still face two challenges: (a) sampling rays in high-dimensional spaces; (b) failing to cover the entire Pareto Front which has a convex shape. Here, we introduce a novel PFL framework, called as PHN-HVVS, which decomposes the design space into Voronoi grids and deploys a genetic algorithm (GA) for Voronoi grid partitioning within high-dimensional space. We put forward a new loss function, which effectively contributes to more extensive coverage of the resultant Pareto front and maximizes the HV Indicator. Experimental results on multiple MOO machine learning tasks demonstrate that PHN-HVVS outperforms the baselines significantly in generating Pareto front. Also, we illustrate that PHN-HVVS advances the methodologies of several recent problems in the FL field. The code is available at https://github.com/buptcmm/phnhvvs}{https://github.com/buptcmm/phnhvvs.

cs.LG↗

arXiv2025

Uncertain Multi-Objective Recommendation via Orthogonal Meta-Learning Enhanced Bayesian Optimization

Recommender systems (RSs) play a crucial role in shaping our digital interactions, influencing how we access and engage with information across various domains. Traditional research has predominantly centered on maximizing recommendation accuracy, often leading to unintended side effects such as echo chambers and constrained user experiences. Drawing inspiration from autonomous driving, we introduce a novel framework that categorizes RS autonomy into five distinct levels, ranging from basic rule-based accuracy-driven systems to behavior-aware, uncertain multi-objective RSs - where users may have varying needs, such as accuracy, diversity, and fairness. In response, we propose an approach that dynamically identifies and optimizes multiple objectives based on individual user preferences, fostering more ethical and intelligent user-centric recommendations. To navigate the uncertainty inherent in multi-objective RSs, we develop a Bayesian optimization (BO) framework that captures personalized trade-offs between different objectives while accounting for their uncertain interdependencies. Furthermore, we introduce an orthogonal meta-learning paradigm to enhance BO efficiency and effectiveness by leveraging shared knowledge across similar tasks and mitigating conflicts among objectives through the discovery of orthogonal information. Finally, extensive empirical evaluations demonstrate the effectiveness of our method in optimizing uncertain multi-objectives for individual users, paving the way for more adaptive and user-focused RSs.

cs.LG↗

arXiv2025

Free-Rider and Conflict Aware Collaboration Formation for Cross-Silo Federated Learning

Federated learning (FL) is a machine learning paradigm that allows multiple FL participants (FL-PTs) to collaborate on training models without sharing private data. Due to data heterogeneity, negative transfer may occur in the FL training process. This necessitates FL-PT selection based on their data complementarity. In cross-silo FL, organizations that engage in business activities are key sources of FL-PTs. The resulting FL ecosystem has two features: (i) self-interest, and (ii) competition among FL-PTs. This requires the desirable FL-PT selection strategy to simultaneously mitigate the problems of free riders and conflicts of interest among competitors. To this end, we propose an optimal FL collaboration formation strategy -- FedEgoists -- which ensures that: (1) a FL-PT can benefit from FL if and only if it benefits the FL ecosystem, and (2) a FL-PT will not contribute to its competitors or their supporters. It provides an efficient clustering solution to group FL-PTs into coalitions, ensuring that within each coalition, FL-PTs share the same interest. We theoretically prove that the FL-PT coalitions formed are optimal since no coalitions can collaborate together to improve the utility of any of their members. Extensive experiments on widely adopted benchmark datasets demonstrate the effectiveness of FedEgoists compared to nine state-of-the-art baseline methods, and its ability to establish efficient collaborative networks in cross-silos FL with FL-PTs that engage in business activities.

cs.GT↗

arXiv2025

Co-Learning Bayesian Optimization

Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem of BO can attribute to the poor surrogate accuracy of the trained Gaussian process (GP), particularly that in the regions where the optimal solutions locate. Hence, we propose to build multiple GP models instead of a single GP surrogate to complement each other and thus resolving the suboptimal problem of BO. Nevertheless, according to the bias-variance tradeoff equation, the individual prediction errors can increase when increasing the diversity of models, which may lead to even worse overall surrogate accuracy. On the other hand, based on the theory of Rademacher complexity, it has been proved that exploiting the agreement of models on unlabeled information can help to reduce the complexity of the hypothesis space, and therefore achieving the required surrogate accuracy with fewer samples. Such value of model agreement has been extensively demonstrated for co-training style algorithms to boost model accuracy with a small portion of samples. Inspired by the above, we propose a novel BO algorithm labeled as co-learning BO (CLBO), which exploits both model diversity and agreement on unlabeled information to improve the overall surrogate accuracy with limited samples, and therefore achieving more efficient global optimization. Through tests on five numerical toy problems and three engineering benchmarks, the effectiveness of proposed CLBO has been well demonstrated.

cs.LG↗

arXiv2024

Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening

Molecular docking is a crucial step in drug development, which enables the virtual screening of compound libraries to identify potential ligands that target proteins of interest. However, the computational complexity of traditional docking models increases as the size of the compound library increases. Recently, deep learning algorithms can provide data-driven research and development models to increase the speed of the docking process. Unfortunately, few models can achieve superior screening performance compared to that of traditional models. Therefore, a novel deep learning-based docking approach named Dockformer is introduced in this study. Dockformer leverages multimodal information to capture the geometric topology and structural knowledge of molecules and can directly generate binding conformations with the corresponding confidence measures in an end-to-end manner. The experimental results show that Dockformer achieves success rates of 90.53% and 82.71% on the PDBbind core set and PoseBusters benchmarks, respectively, and more than a 100-fold increase in the inference process speed, outperforming almost all state-of-the-art docking methods. In addition, the ability of Dockformer to identify the main protease inhibitors of coronaviruses is demonstrated in a real-world virtual screening scenario. Considering its high docking accuracy and screening efficiency, Dockformer can be regarded as a powerful and robust tool in the field of drug design.

cs.LG↗

arXiv2024

Benchmarking Data Heterogeneity Evaluation Approaches for Personalized Federated Learning

There is growing research interest in measuring the statistical heterogeneity of clients' local datasets. Such measurements are used to estimate the suitability for collaborative training of personalized federated learning (PFL) models. Currently, these research endeavors are taking place in silos and there is a lack of a unified benchmark to provide a fair and convenient comparison among various approaches in common settings. We aim to bridge this important gap in this paper. The proposed benchmarking framework currently includes six representative approaches. Extensive experiments have been conducted to compare these approaches under five standard non-IID FL settings, providing much needed insights into which approaches are advantageous under which settings. The proposed framework offers useful guidance on the suitability of various data divergence measures in FL systems. It is beneficial for keeping related research activities on the right track in terms of: (1) designing PFL schemes, (2) selecting appropriate data heterogeneity evaluation approaches for specific FL application scenarios, and (3) addressing fairness issues in collaborative model training. The code is available at https://github.com/Xiaoni-61/DH-Benchmark.

cs.LG↗

arXiv2024

Learning Structurally Stabilized Representations for Multi-modal Lossless DNA Storage

In this paper, we present Reed-Solomon coded single-stranded representation learning (RSRL), a novel end-to-end model for learning representations for multi-modal lossless DNA storage. In contrast to existing learning-based methods, the proposed RSRL is inspired by both error-correction codec and structural biology. Specifically, RSRL first learns the representations for the subsequent storage from the binary data transformed by the Reed-Solomon codec. Then, the representations are masked by an RS-code-informed mask to focus on correcting the burst errors occurring in the learning process. With the decoded representations with error corrections, a novel biologically stabilized loss is formulated to regularize the data representations to possess stable single-stranded structures. By incorporating these novel strategies, the proposed RSRL can learn highly durable, dense, and lossless representations for the subsequent storage tasks into DNA sequences. The proposed RSRL has been compared with a number of strong baselines in real-world tasks of multi-modal data storage. The experimental results obtained demonstrate that RSRL can store diverse types of data with much higher information density and durability but much lower error rates.

cs.LG↗

arXiv2024

Road Network Representation Learning with the Third Law of Geography

Road network representation learning aims to learn compressed and effective vectorized representations for road segments that are applicable to numerous tasks. In this paper, we identify the limitations of existing methods, particularly their overemphasis on the distance effect as outlined in the First Law of Geography. In response, we propose to endow road network representation with the principles of the recent Third Law of Geography. To this end, we propose a novel graph contrastive learning framework that employs geographic configuration-aware graph augmentation and spectral negative sampling, ensuring that road segments with similar geographic configurations yield similar representations, and vice versa, aligning with the principles stated in the Third Law. The framework further fuses the Third Law with the First Law through a dual contrastive learning objective to effectively balance the implications of both laws. We evaluate our framework on two real-world datasets across three downstream tasks. The results show that the integration of the Third Law significantly improves the performance of road segment representations in downstream tasks.

cs.LG↗

arXiv2024

Optical skyrmions from metafibers

Optical skyrmions are an emerging class of structured light with sophisticated particle-like topologies with great potential for revolutionizing modern informatics. However, the current generation of optical skyrmions involves complex or bulky systems, hindering their development of practical applications. Here, exploiting the emergent "lab-on-fiber" technology, we demonstrate the design of a metafiber-integrated photonic skyrmion generator. We not only successfully generated high-quality optical skyrmions from metafibers, but also experimentally verified their remarkable properties, such as regulability and topological stability with deep-subwavelength features beyond the diffraction limits. Our flexible and fiber-integrated optical skyrmions platform paves the avenue for future applications of topologically-enhanced remote super-resolution microscopy and super-robust information transfer.

physics.optics↗

arXiv2023

FedCompetitors: Harmonious Collaboration in Federated Learning with Competing Participants

Federated learning (FL) provides a privacy-preserving approach for collaborative training of machine learning models. Given the potential data heterogeneity, it is crucial to select appropriate collaborators for each FL participant (FL-PT) based on data complementarity. Recent studies have addressed this challenge. Similarly, it is imperative to consider the inter-individual relationships among FL-PTs where some FL-PTs engage in competition. Although FL literature has acknowledged the significance of this scenario, practical methods for establishing FL ecosystems remain largely unexplored. In this paper, we extend a principle from the balance theory, namely ``the friend of my enemy is my enemy'', to ensure the absence of conflicting interests within an FL ecosystem. The extended principle and the resulting problem are formulated via graph theory and integer linear programming. A polynomial-time algorithm is proposed to determine the collaborators of each FL-PT. The solution guarantees high scalability, allowing even competing FL-PTs to smoothly join the ecosystem without conflict of interest. The proposed framework jointly considers competition and data heterogeneity. Extensive experiments on real-world and synthetic data demonstrate its efficacy compared to five alternative approaches, and its ability to establish efficient collaboration networks among FL-PTs.

cs.AI↗

arXiv2023

A coupled-mechanisms modelling framework for neurodegeneration

Computational models of neurodegeneration aim to emulate the evolving pattern of pathology in the brain during neurodegenerative disease, such as Alzheimer's disease. Previous studies have made specific choices on the mechanisms of pathology production and diffusion, or assume that all the subjects lie on the same disease progression trajectory. However, the complexity and heterogeneity of neurodegenerative pathology suggests that multiple mechanisms may contribute synergistically with complex interactions, meanwhile the degree of contribution of each mechanism may vary among individuals. We thus put forward a coupled-mechanisms modelling framework which non-linearly combines the network-topology-informed pathology appearance with the process of pathology spreading within a dynamic modelling system. We account for the heterogeneity of disease by fitting the model at the individual level, allowing the epicenters and rate of progression to vary among subjects. We construct a Bayesian model selection framework to account for feature importance and parameter uncertainty. This provides a combination of mechanisms that best explains the observations for each individual from the ADNI dataset. With the obtained distribution of mechanism importance for each subject, we are able to identify subgroups of patients sharing similar combinations of apparent mechanisms.

q-bio.QM↗

arXiv2023

Allying nanophotonic structures with two-dimensional van der Waals materials

The integration of two-dimensional (2D) materials with photonic structures has catalyzed a wide spectrum of optical and optoelectronic applications. Conventional nanophotonic structures generally lack efficient reconfigurability and multifunctionality. The atomically thin 2D van der Waals materials can thus infuse new functionality and reconfigurability to the well-established library of photonic structures such as integrated waveguides, optical fibers, photonic crystals, micro-cavities, and metasurface, to name a few. Thanks to the handiness of van der Waals interfaces, the 2D materials can be easily transferred and mixed with other prefabricated photonic templates with high degrees of freedom, and can act as the optical gain, modulation, sensing, or plasmonic media for diverse applications. Here we review recent advents on combining 2D materials to nanophotonic structures for new functionality development or performance enhancements. Challenges and emerging opportunities in integrating van der Waals building blocks beyond 2D materials are also discussed.

physics.optics↗

arXiv2022

Not All Neighbors Are Worth Attending to: Graph Selective Attention Networks for Semi-supervised Learning

Graph attention networks (GATs) are powerful tools for analyzing graph data from various real-world scenarios. To learn representations for downstream tasks, GATs generally attend to all neighbors of the central node when aggregating the features. In this paper, we show that a large portion of the neighbors are irrelevant to the central nodes in many real-world graphs, and can be excluded from neighbor aggregation. Taking the cue, we present Selective Attention (SA) and a series of novel attention mechanisms for graph neural networks (GNNs). SA leverages diverse forms of learnable node-node dissimilarity to acquire the scope of attention for each node, from which irrelevant neighbors are excluded. We further propose Graph selective attention networks (SATs) to learn representations from the highly correlated node features identified and investigated by different SA mechanisms. Lastly, theoretical analysis on the expressive power of the proposed SATs and a comprehensive empirical study of the SATs on challenging real-world datasets against state-of-the-art GNNs are presented to demonstrate the effectiveness of SATs.

cs.LG↗

arXiv2022

Exploring Linear Feature Disentanglement For Neural Networks

Non-linear activation functions, e.g., Sigmoid, ReLU, and Tanh, have achieved great success in neural networks (NNs). Due to the complex non-linear characteristic of samples, the objective of those activation functions is to project samples from their original feature space to a linear separable feature space. This phenomenon ignites our interest in exploring whether all features need to be transformed by all non-linear functions in current typical NNs, i.e., whether there exists a part of features arriving at the linear separable feature space in the intermediate layers, that does not require further non-linear variation but an affine transformation instead. To validate the above hypothesis, we explore the problem of linear feature disentanglement for neural networks in this paper. Specifically, we devise a learnable mask module to distinguish between linear and non-linear features. Through our designed experiments we found that some features reach the linearly separable space earlier than the others and can be detached partly from the NNs. The explored method also provides a readily feasible pruning strategy which barely affects the performance of the original model. We conduct our experiments on four datasets and present promising results.

cs.LG↗

arXiv2021

Learning Conjoint Attentions for Graph Neural Nets

In this paper, we present Conjoint Attentions (CAs), a class of novel learning-to-attend strategies for graph neural networks (GNNs). Besides considering the layer-wise node features propagated within the GNN, CAs can additionally incorporate various structural interventions, such as node cluster embedding, and higher-order structural correlations that can be learned outside of GNN, when computing attention scores. The node features that are regarded as significant by the conjoint criteria are therefore more likely to be propagated in the GNN. Given the novel Conjoint Attention strategies, we then propose Graph conjoint attention networks (CATs) that can learn representations embedded with significant latent features deemed by the Conjoint Attentions. Besides, we theoretically validate the discriminative capacity of CATs. CATs utilizing the proposed Conjoint Attention strategies have been extensively tested in well-established benchmarking datasets and comprehensively compared with state-of-the-art baselines. The obtained notable performance demonstrates the effectiveness of the proposed Conjoint Attentions.

cs.LG↗

arXiv2021

Guided mode meta-optics: Metasurface-dressed nanophotonic waveguides for arbitrary designer mode couplers and on-chip OAM emitters with configurable topological charge

Metasurfaces have achieved fruitful results in tailoring complexing light fields in free space. However, a systematic investigation on applying the concept of meta-optics to completely control waveguide modes is still elusive. Here we present a comprehensive catalog capable of selectively and exclusively excite almost arbitrary high-order waveguide modes of interest, leveraging silicon metasurface-patterned silicon nitride waveguides. By simultaneously engineering the phase-matched gradient of the metasurface and the vectorial spatial modal overlap between the nanoantenna near-field and target waveguide mode for excitation, either single or multiple high-order modes are successfully launched with high purity reaching 98% and broad bandwidth. Moreover, on-chip twisted light generators are also theoretically demonstrated with configurable OAM topological charge \ell from -3 to +2, serving as a comprehensive framework for metasurface-enabled guided mode optics and motivating further applications such as versatile integrated couplers, demultiplexers, and mode-division multiplexing-based communication systems.

physics.optics↗

arXiv2020

Relational Thematic Clustering with Mutually Preferred Neighbors

Automatically learning thematic clusters in network data has long been a challenging task in machine learning community. A number of approaches have been proposed to accomplish it, utilizing edges, vertex features, or both aforementioned. However, few of them consider how the quantification of dichotomous inclination w.r.t. network topology and vertex features may influence vertex-cluster preferences, which deters previous methods from uncovering more interpretable latent groups in network data. To fill this void, we propose a novel probabilistic model, dubbed Relational Thematic Clustering with Mutually Preferred Neighbors (RTCMPN). Different from prevalent approaches which predetermine the learning significance of edge structure and vertex features, RTCMPN can further learn the latent preferences indicating which neighboring vertices are more possible to be in the same cluster, and the dichotomous inclinations describing how relative significance w.r.t. edge structure and vertex features may impact the association between pairwise vertices. Therefore, cluster structure implanted with edge structure, vertex features, neighboring preferences, and vertex-vertex dichotomous inclinations can be learned by RTCMPN. We additionally derive an effective Expectation-Maximization algorithm for RTCMPN to infer the optimal model parameters. RTCMPN has been compared with several strong baselines on various network data. The remarkable results validate the effectiveness of RTCMPN.

cs.SI↗