arXiv subjects

Lan Huang

Publications and source records attributed to Lan Huang.

At least 19 recordsLinked to original sources

arXiv2026

FLaG: Frequency-Domain Latent-attention Gated Pooling for Token Aggregation

Token aggregation converts token-level representations into fixed-dimensional sample representations, but most pooling methods operate only in the original token space. We introduce Frequency-Domain Latent-attention Gated Pooling (FLaG), a plug-in aggregation module that re-expresses encoder outputs in the Fourier domain before final pooling. FLaG represents the nonredundant rFFT spectrum through concatenated real and imaginary components, summarizes spectral tokens with learnable latent queries, derives a sample-conditioned channel gate, and reconstructs modulated token representations for downstream aggregation. We evaluate the same architecture across ESM2-based antimicrobial peptide (AMP) activity prediction, ResNet18 image classification on CIFAR-10 and CIFAR-100, and three RoBERTa-based language tasks. FLaG achieves the best macro-averaged Spearman correlation coefficient, RMSE, and Recall@50 across four AMP backbone-species settings and the highest top-1 accuracy on CIFAR 10. It also achieves the best mean results on five of seven language metrics, although mean pooling remains strongest on STSBenchmark. AMP-side mechanistic analyses reveal low-frequency prediction sensitivity across most encoder layers, with increased relative high-frequency sensitivity in the final layer, and pronounced peptide-specific positional responses. The residual gate broadly amplifies spectral channels while preserving the low-frequency-dominated energy profile, whereas latent cross-attention exhibits sample- and species-specific spectral allocation. Overall, FLaG provides a transferable frequency-domain aggregation bias across protein, visual, and textual representations, with benefits that depend on the backbone and downstream task. Supplementary materials, source code, and data are available at https://www.healthinformaticslab.org/supp/ and https://github.com/Kewei2023/AMPCliff/tree/FLaG.

cs.AI↗

arXiv2026

CliffRank: A Dual-Branch Framework for Activity-Cliff Ranking Prediction

Activity-cliff ranking remains difficult because local structural changes can cause large activity differences, while high-quality data that resolve the underlying mechanisms remain limited. To use available activity labels more effectively, we combine absolute-activity regression with ranking-consistency learning. CliffRank trains two parallel predictors with mean squared error, a thresholded listwise loss, and Pairwise Preference Consistency (PPC), which aligns relative ordering in the preference-probability space. On three antimicrobial peptide datasets, CliffRank with ESM2-t12 achieved the highest mean Spearman correlation of 0.5393 and mean Recall@50 of 21.4, although the leading method varied across individual datasets. On three small-molecule datasets, CliffRank with PNA, where PPC was activated after 120 epochs, achieved the highest mean Spearman correlation of 0.6890, while its mean Recall@50 of 30.4 matched that of ACANet-PNA. The PPC results also define its practical limits. Asymmetric initialization improved the MolCLR-GIN averages but did not improve every target. For PNA without pretrained weights, delayed PPC improved selected metrics, but no schedule was best for both mean Spearman correlation and mean Recall@50. Future work should evaluate more targets and antimicrobial peptide systems, develop adaptive PPC schedules, and incorporate protein or membrane context when available.

cs.LG↗

arXiv2026

DISTAL: Distillation and Self-Supervised Pretraining for Structure-Agnostic Materials Property Prediction

Materials property prediction remains difficult in low-data settings, where many target properties are supported by only a limited number of labeled samples. Models with the strongest predictive accuracy often depend on crystal structures, which restricts their use in early-stage screening when structural information is limited or unavailable. To address this challenge, we propose DISTAL, a dual-prior framework for structure-agnostic materials property prediction that combines self-supervised compositional pretraining with structure-aware knowledge distillation. DISTAL first learns transferable compositional representations from a large virtual composition space using 145 composition-derived descriptors. It then distills structural knowledge from a pretrained ALIGNN teacher into a composition-conditioned student. This setting allows structural priors to be used during training without requiring structural inputs at inference. By integrating explicit compositional descriptors, pretrained latent features, and distilled structural features within a unified prediction pipeline, DISTAL captures complementary signals that are difficult to recover from any single representation alone. Across 39 benchmark tasks, the best-performing multimodal configuration combines all three signals, and improves over the reference benchmark on 37 tasks. DISTAL achieves the strongest overall performance among all evaluated feature combinations. These results indicate that compositional pretraining and structural distillation provide complementary priors and offer a practical route to robust composition-only prediction in small-data materials informatics. The source code and the pre-trained models are anonymously available at: https://osf.io/eq96d/overview?view_only=451617f42f7849e08750bd1852b48980 and will be released at the official link after acceptance.

cs.LG↗

arXiv2026

CMCNet: Aligning Ultrasound Image Embeddings with Textual TI-RADS Representations for Fine-Grained Thyroid Classification

Ultrasound is the primary imaging modality for assessing thyroid nodules, and the ACR TI-RADS framework standardizes diagnosis through five ultrasound feature categories that are aggregated into five risk levels (TR1-TR5). Although widely adopted in clinical practice, most deep learning approaches focus on binary malignancy classification, while multi-class prediction and explicit utilization of feature-level supervision remain underexplored, largely due to limited annotated data. In this study, we introduce the STN dataset of 600 thyroid nodules with paired transverse and longitudinal ultrasound images, bounding box annotations, and complete labels for all five TI-RADS feature categories. Following the clinical decision process, we investigate how structured feature information can guide representation learning during training while requiring only images at inference. We demonstrate that text embeddings derived from standardized feature descriptions form a stable surrogate representation for TI-RADS risk levels. Based on this observation, we propose CMCNet, which aligns image embeddings to fixed textual embeddings via a Center-Margin Contrastive Loss that simultaneously promotes intra-class compactness and inter-class separation. Experimental results show that this embedding alignment strategy is more data-efficient and robust than direct multitask learning, and consistently outperforms InfoNCE, center loss, a strong multitask baseline, and a VQA-style multimodal model, particularly in imbalanced settings. The dataset is freely available at doi: 10.5281/zenodo.19125693 and the source code is available at: https://www.healthinformaticslab.org/supp/.

cs.CV↗

arXiv2026

Frequency-Domain Latent Attention Gating for Cross-Domain Token Aggregation

Token aggregation is a common bottleneck in models that map token representations to sample-level predictions, yet most pooling methods operate only in the original token domain. We propose FLaG, a plug-in aggregation module that transforms token representations with the real FFT, summarizes spectral components with learnable latent queries, applies a channel-wise gate, and reconstructs enhanced time-domain tokens for final pooling. We evaluate FLaG on antimicrobial peptide (AMP) activity prediction with ESM2, image classification with ResNet18 on CIFAR-10 and CIFAR-100, and text classification with RoBERTa on IMDB and GLUE. FLaG achieves its clearest gains on the ESM2-8M antimicrobial peptide tasks and on CIFAR-100, while remaining competitive with strong text baselines on IMDB and GLUE. Then we probe its behavior on the AMP setting with band knockouts, gate summaries, residue perturbations, latent-query readouts, and structure-proxy stratification. We find that low-frequency bands contribute the most overall, and the remaining higher-band pattern is more sample-specific. The gate acts as a broadly shared spectral reweighting stage and the cross-attention patterns are sample-specific with mild query-wise differentiation, and higher-helix peptides exhibit stronger average spectral sensitivity in both bacteria. The supplementary materials, source code and data are released at https://www.healthinformaticslab.org/supp/ and https://github.com/Kewei2023/AMPCliff/tree/FLaG.

cs.LG↗

arXiv2025

GrifFinNet: A Graph-Relation Integrated Transformer for Financial Predictions

Predicting stock returns remains a central challenge in quantitative finance, transitioning from traditional statistical methods to contemporary deep learning techniques. However, many current models struggle with effectively capturing spatio-temporal dynamics and integrating multiple relational data sources. This study proposes GrifFinNet, a Graph-Relation Integrated Transformer for Financial Predictions, which combines multi-relational graph modeling with Transformer-based temporal encoding. GrifFinNet constructs inter-stock relation graphs based on industry sectors and institutional ownership, and incorporates an adaptive gating mechanism to dynamically integrate relational data in response to changing market conditions. This approach enables the model to jointly capture spatial dependencies and temporal patterns, offering a comprehensive representation of market dynamics. Extensive experiments on two Chinese A-share indices show that GrifFinNet consistently outperforms several baseline models and provides valuable, interpretable insights into financial market behavior. The code and data are available at: https://www.healthinformaticslab.org/supp/.

cs.CE↗

arXiv2025

Layer-Dependent Interfacial Coupling and Exciton Pinning in WSe2/Graphene Heterostructures

Understanding interfacial interactions in two-dimensional heterostructures is crucial for their implementation in future optoelectronic and quantum technologies. Here, we investigate interactions between WSe2 and graphene by comparing 1-5 layer MOCVD-grown WSe2 on graphene/SiC with exfoliated WSe2 on SiO2/Si using Raman and photoluminescence spectroscopy combined with atomic force microscopy. Growth on graphene induces persistent compressive strain of approximately 0.2% and reduces the interlayer WSe2 distance by 0.11 +/- 0.05 Angstrom. Interfacial disorder is strongest in the WSe2 layer directly contacting graphene, with an effective Urbach energy of approximately 20 meV, decreasing to approximately 16 meV upon addition of a second layer and remaining similar for thicker films. Increasing WSe2 thickness leads to progressive electron transfer from graphene to WSe2, resulting in p-type doping of graphene and n-type doping of WSe2, with the graphene hole density increasing from approximately 0.4 x 10^13 cm^-2 for 1L to 0.8 x 10^13 cm^-2 for 5L. The A- and B-exciton energies of WSe2 remain nearly pinned on graphene, in contrast to their pronounced thickness-dependent shifts on SiO2/Si. We show that this pinning arises primarily from electronic screening and compressive strain, with smaller contributions from charge transfer and modified interlayer coupling. These findings establish graphene as an active interface for controlling excitonic properties in scalable van der Waals heterostructures.

cond-mat.mtrl-sci↗

arXiv2025

A transformer-BiGRU-based framework with data augmentation and confident learning for network intrusion detection

In today's fast-paced digital communication, the surge in network traffic data and frequency demands robust and precise network intrusion solutions. Conventional machine learning methods struggle to grapple with complex patterns within the vast network intrusion datasets, which suffer from data scarcity and class imbalance. As a result, we have integrated machine learning and deep learning techniques within the network intrusion detection system to bridge this gap. This study has developed TrailGate, a novel framework that combines machine learning and deep learning techniques. By integrating Transformer and Bidirectional Gated Recurrent Unit (BiGRU) architectures with advanced feature selection strategies and supplemented by data augmentation techniques, TrailGate can identifies common attack types and excels at detecting and mitigating emerging threats. This algorithmic fusion excels at detecting common and well-understood attack types and has the unique ability to swiftly identify and neutralize emerging threats that stem from existing paradigms.

cs.LG↗

arXiv2025

DeepSelective: Interpretable Prognosis Prediction via Feature Selection and Compression in EHR Data

The rapid accumulation of Electronic Health Records (EHRs) has transformed healthcare by providing valuable data that enhance clinical predictions and diagnoses. While conventional machine learning models have proven effective, they often lack robust representation learning and depend heavily on expert-crafted features. Although deep learning offers powerful solutions, it is often criticized for its lack of interpretability. To address these challenges, we propose DeepSelective, a novel end to end deep learning framework for predicting patient prognosis using EHR data, with a strong emphasis on enhancing model interpretability. DeepSelective combines data compression techniques with an innovative feature selection approach, integrating custom-designed modules that work together to improve both accuracy and interpretability. Our experiments demonstrate that DeepSelective not only enhances predictive accuracy but also significantly improves interpretability, making it a valuable tool for clinical decision-making. The source code is freely available at http://www.healthinformaticslab.org/supp/resources.php .

cs.LG↗

arXiv2025

Dual-level Mixup for Graph Few-shot Learning with Fewer Tasks

Graph neural networks have been demonstrated as a powerful paradigm for effectively learning graph-structured data on the web and mining content from it.Current leading graph models require a large number of labeled samples for training, which unavoidably leads to overfitting in few-shot scenarios. Recent research has sought to alleviate this issue by simultaneously leveraging graph learning and meta-learning paradigms. However, these graph meta-learning models assume the availability of numerous meta-training tasks to learn transferable meta-knowledge. Such assumption may not be feasible in the real world due to the difficulty of constructing tasks and the substantial costs involved. Therefore, we propose a SiMple yet effectIve approach for graph few-shot Learning with fEwer tasks, named SMILE. We introduce a dual-level mixup strategy, encompassing both within-task and across-task mixup, to simultaneously enrich the available nodes and tasks in meta-learning. Moreover, we explicitly leverage the prior information provided by the node degrees in the graph to encode expressive node representations. Theoretically, we demonstrate that SMILE can enhance the model generalization ability. Empirically, SMILE consistently outperforms other competitive models by a large margin across all evaluated datasets with in-domain and cross-domain settings. Our anonymous code can be found here.

cs.LG↗

arXiv2025

Boosting Short Text Classification with Multi-Source Information Exploration and Dual-Level Contrastive Learning

Short text classification, as a research subtopic in natural language processing, is more challenging due to its semantic sparsity and insufficient labeled samples in practical scenarios. We propose a novel model named MI-DELIGHT for short text classification in this work. Specifically, it first performs multi-source information (i.e., statistical information, linguistic information, and factual information) exploration to alleviate the sparsity issues. Then, the graph learning approach is adopted to learn the representation of short texts, which are presented in graph forms. Moreover, we introduce a dual-level (i.e., instance-level and cluster-level) contrastive learning auxiliary task to effectively capture different-grained contrastive information within massive unlabeled data. Meanwhile, previous models merely perform the main task and auxiliary tasks in parallel, without considering the relationship among tasks. Therefore, we introduce a hierarchical architecture to explicitly model the correlations between tasks. We conduct extensive experiments across various benchmark datasets, demonstrating that MI-DELIGHT significantly surpasses previous competitive models. It even outperforms popular large language models on several datasets.

cs.CL↗

arXiv2025

A Simple Graph Contrastive Learning Framework for Short Text Classification

Short text classification has gained significant attention in the information age due to its prevalence and real-world applications. Recent advancements in graph learning combined with contrastive learning have shown promising results in addressing the challenges of semantic sparsity and limited labeled data in short text classification. However, existing models have certain limitations. They rely on explicit data augmentation techniques to generate contrastive views, resulting in semantic corruption and noise. Additionally, these models only focus on learning the intrinsic consistency between the generated views, neglecting valuable discriminative information from other potential views. To address these issues, we propose a Simple graph contrastive learning framework for Short Text Classification (SimSTC). Our approach involves performing graph learning on multiple text-related component graphs to obtain multi-view text embeddings. Subsequently, we directly apply contrastive learning on these embeddings. Notably, our method eliminates the need for data augmentation operations to generate contrastive views while still leveraging the benefits of multi-view contrastive learning. Despite its simplicity, our model achieves outstanding performance, surpassing large language models on various datasets.

cs.CL↗

arXiv2025

Information Entropy Invariance: Enhancing Length Extrapolation in Attention Mechanisms

Since the emergence of research on improving the length extrapolation capabilities of large language models in 2021, some studies have made modifications to the scaling factor in the scaled dot-product attention mechanism as part of their proposed methods without rigorous theoretical justifications. To fill this gap, we propose two new scaled temperatures based on information entropy invariance to enhance length extrapolation. First, a training-free method InfoScale is designed for dotproduct attention, and preserves focus on original tokens during length extrapolation by ensuring consistent entropy. Second, we theoretically analyze the impact of scaling (CosScale) on cosine attention. Experimental data demonstrates that combining InfoScale and CosScale achieves state-ofthe-art performance on the GAU-{\alpha} model with a context window extended to 64 times the training length, and outperforms seven existing methods. Our analysis reveals that significantly increasing CosScale approximates the Windowed Attention, and highlights the significance of attention score dilution as a key challenge in long-range context handling. The code and data are available at https://github.com/HT-NEKO/ Information-Entropy-Invariance.

cs.CL↗

arXiv2025

Enhancing Unsupervised Graph Few-shot Learning via Set Functions and Optimal Transport

Graph few-shot learning has garnered significant attention for its ability to rapidly adapt to downstream tasks with limited labeled data, sparking considerable interest among researchers. Recent advancements in graph few-shot learning models have exhibited superior performance across diverse applications. Despite their successes, several limitations still exist. First, existing models in the meta-training phase predominantly focus on instance-level features within tasks, neglecting crucial set-level features essential for distinguishing between different categories. Second, these models often utilize query sets directly on classifiers trained with support sets containing only a few labeled examples, overlooking potential distribution shifts between these sets and leading to suboptimal performance. Finally, previous models typically require necessitate abundant labeled data from base classes to extract transferable knowledge, which is typically infeasible in real-world scenarios. To address these issues, we propose a novel model named STAR, which leverages Set funcTions and optimAl tRansport for enhancing unsupervised graph few-shot learning. Specifically, STAR utilizes expressive set functions to obtain set-level features in an unsupervised manner and employs optimal transport principles to align the distributions of support and query sets, thereby mitigating distribution shift effects. Theoretical analysis demonstrates that STAR can capture more task-relevant information and enhance generalization capabilities. Empirically, extensive experiments across multiple datasets validate the effectiveness of STAR. Our code can be found here.

cs.LG↗

arXiv2024

Multiscale energy transfers in a forced two-DOF oscillatory system with a grounded nonlinear energy sink

This paper studies the steady-state oscillations and the corresponding energy transfers in the two-DOF mechanical system with a grounded nonlinear energy sink (NES), under an external excitation. Based on the complexification-multiscale method, the slow frequency and the fast frequency of the complex amplitudes on the invariant manifold are analyzed, without omitting any terms. The analytical results show that the complex amplitudes of the primary system responses contain only the slow frequency, while that of the NES responses can contain both the slow frequency and the fast frequency when it triggers the high-order frequency term. In addition, each type of set on the invariant manifold represents the corresponding steady-state oscillations of the system, that is, the fixed point corresponds to the stationary oscillation, the interval corresponds to the nonlinear beat, and the hysteresis loop corresponds to the relaxation oscillation. Accordingly, we rewrite the forms of the complexification system to match the corresponding types of steady-state oscillations. Furthermore, the Hilbert-Huang transform is used to investigate the time-frequency relation of the displacements and the energies of the three steady-state responses. The Hilbert spectrums indicate that there is no energy transfer in the stationary oscillations, the O({\epsilon})/O({\epsilon}) type of energy transfer in the nonlinear beats, and the O({\epsilon})/O({\epsilon}) and the O({\epsilon})/O(1) types of energy transfer in the relaxation oscillations. The theoretical results are confirmed by numerical simulations.

nlin.CD↗

arXiv2024

Meta-GPS++: Enhancing Graph Meta-Learning with Contrastive Learning and Self-Training

Node classification is an essential problem in graph learning. However, many models typically obtain unsatisfactory performance when applied to few-shot scenarios. Some studies have attempted to combine meta-learning with graph neural networks to solve few-shot node classification on graphs. Despite their promising performance, some limitations remain. First, they employ the node encoding mechanism of homophilic graphs to learn node embeddings, even in heterophilic graphs. Second, existing models based on meta-learning ignore the interference of randomness in the learning process. Third, they are trained using only limited labeled nodes within the specific task, without explicitly utilizing numerous unlabeled nodes. Finally, they treat almost all sampled tasks equally without customizing them for their uniqueness. To address these issues, we propose a novel framework for few-shot node classification called Meta-GPS++. Specifically, we first adopt an efficient method to learn discriminative node representations on homophilic and heterophilic graphs. Then, we leverage a prototype-based approach to initialize parameters and contrastive learning for regularizing the distribution of node embeddings. Moreover, we apply self-training to extract valuable information from unlabeled nodes. Additionally, we adopt S$^2$ (scaling & shifting) transformation to learn transferable knowledge from diverse tasks. The results on real-world datasets show the superiority of Meta-GPS++. Our code is available here.

cs.LG↗

arXiv2024

Resolving Word Vagueness with Scenario-guided Adapter for Natural Language Inference

Natural Language Inference (NLI) is a crucial task in natural language processing that involves determining the relationship between two sentences, typically referred to as the premise and the hypothesis. However, traditional NLI models solely rely on the semantic information inherent in independent sentences and lack relevant situational visual information, which can hinder a complete understanding of the intended meaning of the sentences due to the ambiguity and vagueness of language. To address this challenge, we propose an innovative ScenaFuse adapter that simultaneously integrates large-scale pre-trained linguistic knowledge and relevant visual information for NLI tasks. Specifically, we first design an image-sentence interaction module to incorporate visuals into the attention mechanism of the pre-trained model, allowing the two modalities to interact comprehensively. Furthermore, we introduce an image-sentence fusion module that can adaptively integrate visual information from images and semantic information from sentences. By incorporating relevant visual information and leveraging linguistic knowledge, our approach bridges the gap between language and vision, leading to improved understanding and inference capabilities in NLI tasks. Extensive benchmark experiments demonstrate that our proposed ScenaFuse, a scenario-guided approach, consistently boosts NLI performance.

cs.CL↗

arXiv2024

AMPCliff: quantitative definition and benchmarking of activity cliffs in antimicrobial peptides

Since the mechanism of action of drug molecules in the human body is difficult to reproduce in the in vitro environment, it becomes difficult to reveal the causes of the activity cliff phenomenon of drug molecules. We found out the AC of small molecules has been extensively investigated but limited knowledge is accumulated about the AC phenomenon in peptides with canonical amino acids. Understanding the mechanism of AC in canonical amino acids might help understand the one in drug molecules. This study introduces a quantitative definition and benchmarking framework AMPCliff for the AC phenomenon in antimicrobial peptides (AMPs) composed by canonical amino acids. A comprehensive analysis of the existing AMP dataset reveals a significant prevalence of AC within AMPs. AMPCliff quantifies the activities of AMPs by the MIC, and defines 0.9 as the minimum threshold for the normalized BLOSUM62 similarity score between a pair of aligned peptides with at least two-fold MIC changes. This study establishes a benchmark dataset of paired AMPs in Staphylococcus aureus from the publicly available AMP dataset GRAMPA, and conducts a rigorous procedure to evaluate various AMP AC prediction models, including nine machine learning, four deep learning algorithms, four masked language models, and four generative language models. Our analysis reveals that these models are capable of detecting AMP AC events and the pre-trained protein language model ESM2 demonstrates superior performance across the evaluations. The predictive performance of AMP activity cliffs remains to be further improved, considering that ESM2 with 33 layers only achieves the Spearman correlation coefficient 0.4669 for the regression task of the MIC values on the benchmark dataset. Source code and additional resources are available at https://www.healthinformaticslab.org/supp/ or https://github.com/Kewei2023/AMPCliff-generation.

q-bio.BM↗