Nan Yin

Nan Yin, Li Shen, Mengzhu Wang et al.

Although graph neural networks (GNNs) have achieved impressive achievements in graph classification, they often need abundant task-specific labels, which could be extensively costly to acquire. A credible solution is to explore additional labeled graphs to enhance unsupervised learning on the target domain. However, how to apply GNNs to domain adaptation remains unsolved owing to the insufficient exploration of graph topology and the significant domain discrepancy. In this paper, we propose Coupled Contrastive Graph Representation Learning (CoCo), which extracts the topological information from coupled learning branches and reduces the domain discrepancy with coupled contrastive learning. CoCo contains a graph convolutional network branch and a hierarchical graph kernel network branch, which explore graph topology in implicit and explicit manners. Besides, we incorporate coupled branches into a holistic multi-view contrastive learning framework, which not only incorporates graph representations learned from complementary views for enhanced understanding, but also encourages the similarity between cross-domain example pairs with the same semantics for domain alignment. Extensive experiments on popular datasets show that our CoCo outperforms these competing baselines in different settings generally.

Enneng Yang, Zhenyi Wang, Li Shen et al.

Continual learning (CL) aims to learn new tasks without forgetting previous tasks. However, existing CL methods require a large amount of raw data, which is often unavailable due to copyright considerations and privacy risks. Instead, stakeholders usually release pre-trained machine learning models as a service (MLaaS), which users can access via APIs. This paper considers two practical-yet-novel CL settings: data-efficient CL (DECL-APIs) and data-free CL (DFCL-APIs), which achieve CL from a stream of APIs with partial or no raw data. Performing CL under these two new settings faces several challenges: unavailable full raw data, unknown model parameters, heterogeneous models of arbitrary architecture and scale, and catastrophic forgetting of previous APIs. To overcome these issues, we propose a novel data-free cooperative continual distillation learning framework that distills knowledge from a stream of APIs into a CL model by generating pseudo data, just by querying APIs. Specifically, our framework includes two cooperative generators and one CL model, forming their training as an adversarial game. We first use the CL model and the current API as fixed discriminators to train generators via a derivative-free method. Generators adversarially generate hard and diverse synthetic data to maximize the response gap between the CL model and the API. Next, we train the CL model by minimizing the gap between the responses of the CL model and the black-box API on synthetic data, to transfer the API's knowledge to the CL model. Furthermore, we propose a new regularization term based on network similarity to prevent catastrophic forgetting of previous APIs.Our method performs comparably to classic CL with full raw data on the MNIST and SVHN in the DFCL-APIs setting. In the DECL-APIs setting, our method achieves 0.97x, 0.75x and 0.69x performance of classic CL on CIFAR10, CIFAR100, and MiniImageNet.

Anke Tang, Li Shen, Yong Luo et al.

Merging various task-specific Transformer-based models trained on different tasks into a single unified model can execute all the tasks concurrently. Previous methods, exemplified by task arithmetic, have been proven to be both effective and scalable. Existing methods have primarily focused on seeking a static optimal solution within the original model parameter space. A notable challenge is mitigating the interference between parameters of different models, which can substantially deteriorate performance. In this paper, we propose to merge most of the parameters while upscaling the MLP of the Transformer layers to a weight-ensembling mixture of experts (MoE) module, which can dynamically integrate shared and task-specific knowledge based on the input, thereby providing a more flexible solution that can adapt to the specific needs of each instance. Our key insight is that by identifying and separating shared knowledge and task-specific knowledge, and then dynamically integrating them, we can mitigate the parameter interference problem to a great extent. We conduct the conventional multi-task model merging experiments and evaluate the generalization and robustness of our method. The results demonstrate the effectiveness of our method and provide a comprehensive understanding of our method. The code is available at https://github.com/tanganke/weight-ensembling_MoE

Xiao Teng, Long Lan, Dingyao Chen et al.

Unsupervised visible-infrared person re-identification (USL-VI-ReID) is of great research and practical significance yet remains challenging due to the absence of annotations. Existing approaches aim to learn modality-invariant representations in an unsupervised setting. However, these methods often encounter label noise within and across modalities due to suboptimal clustering results and considerable modality discrepancies, which impedes effective training. To address these challenges, we propose a straightforward yet effective solution for USL-VI-ReID by mitigating universal label noise using neighbor information. Specifically, we introduce the Neighbor-guided Universal Label Calibration (N-ULC) module, which replaces explicit hard pseudo labels in both homogeneous and heterogeneous spaces with soft labels derived from neighboring samples to reduce label noise. Additionally, we present the Neighbor-guided Dynamic Weighting (N-DW) module to enhance training stability by minimizing the influence of unreliable samples. Extensive experiments on the RegDB and SYSU-MM01 datasets demonstrate that our method outperforms existing USL-VI-ReID approaches, despite its simplicity. The source code is available at: https://github.com/tengxiao14/Neighbor-guided-USL-VI-ReID.

Junyu Luo, Bohan Wu, Xiao Luo et al. · pku

Post-training of Large Language Models (LLMs) is crucial for unlocking their task generalization potential and domain-specific capabilities. However, the current LLM post-training paradigm faces significant data challenges, including the high costs of manual annotation and diminishing marginal returns on data scales. Therefore, achieving data-efficient post-training has become a key research question. In this paper, we present the first systematic survey of data-efficient LLM post-training from a data-centric perspective. We propose a taxonomy of data-efficient LLM post-training methods, covering data selection, data quality enhancement, synthetic data generation, data distillation and compression, and self-evolving data ecosystems. We summarize representative approaches in each category and outline future research directions. By examining the challenges in data-efficient LLM post-training, we highlight open problems and propose potential research avenues. We hope our work inspires further exploration into maximizing the potential of data utilization in large-scale model training. Paper List: https://github.com/luo-junyu/Awesome-Data-Efficient-LLM

Tao Meng, Yuntao Shou, Wei Ai et al.

The main task of Multimodal Emotion Recognition in Conversations (MERC) is to identify the emotions in modalities, e.g., text, audio, image and video, which is a significant development direction for realizing machine intelligence. However, many data in MERC naturally exhibit an imbalanced distribution of emotion categories, and researchers ignore the negative impact of imbalanced data on emotion recognition. To tackle this problem, we systematically analyze it from three aspects: data augmentation, loss sensitivity, and sampling strategy, and propose the Class Boundary Enhanced Representation Learning (CBERL) model. Concretely, we first design a multimodal generative adversarial network to address the imbalanced distribution of {emotion} categories in raw data. Secondly, a deep joint variational autoencoder is proposed to fuse complementary semantic information across modalities and obtain discriminative feature representations. Finally, we implement a multi-task graph neural network with mask reconstruction and classification optimization to solve the problem of overfitting and underfitting in class boundary learning, and achieve cross-modal emotion recognition. We have conducted extensive experiments on the IEMOCAP and MELD benchmark datasets, and the results show that CBERL has achieved a certain performance improvement in the effectiveness of emotion recognition. Especially on the minority class fear and disgust emotion labels, our model improves the accuracy and F1 value by 10% to 20%.

Nan Yin, Mengzhu Wan, Li Shen et al.

Continuous graph neural networks (CGNNs) have garnered significant attention due to their ability to generalize existing discrete graph neural networks (GNNs) by introducing continuous dynamics. They typically draw inspiration from diffusion-based methods to introduce a novel propagation scheme, which is analyzed using ordinary differential equations (ODE). However, the implementation of CGNNs requires significant computational power, making them challenging to deploy on battery-powered devices. Inspired by recent spiking neural networks (SNNs), which emulate a biological inference process and provide an energy-efficient neural architecture, we incorporate the SNNs with CGNNs in a unified framework, named Continuous Spiking Graph Neural Networks (COS-GNN). We employ SNNs for graph node representation at each time step, which are further integrated into the ODE process along with time. To enhance information preservation and mitigate information loss in SNNs, we introduce the high-order structure of COS-GNN, which utilizes the second-order ODE for spiking representation and continuous propagation. Moreover, we provide the theoretical proof that COS-GNN effectively mitigates the issues of exploding and vanishing gradients, enabling us to capture long-range dependencies between nodes. Experimental results on graph-based learning tasks demonstrate the effectiveness of the proposed COS-GNN over competitive baselines.

Yingxu Wang, Victor Liang, Nan Yin et al.

Classifying antimicrobial peptides(AMPs) from the vast array of peptides mined from metagenomic sequencing data is a significant approach to addressing the issue of antibiotic resistance. However, current AMP classification methods, primarily relying on sequence-based data, neglect the spatial structure of peptides, thereby limiting the accurate classification of AMPs. Additionally, the number of known AMPs is significantly lower than that of non-AMPs, leading to imbalanced datasets that reduce predictive accuracy for AMPs. To alleviate these two limitations, we first employ Omegafold to predict the three-dimensional spatial structures of AMPs and non-AMPs, constructing peptide graphs based on the amino acids' C$_α$ positions. Building upon this, we propose a novel classification model named Spatial GNN-based AMP Classifier (SGAC). Our SGAC model employs a graph encoder based on Graph Neural Networks (GNNs) to process peptide graphs, generating high-dimensional representations that capture essential features from the three-dimensional spatial structure of amino acids. Then, to address the inherent imbalanced datasets, SGAC first incorporates Weight-enhanced Contrastive Learning, which clusters similar peptides while ensuring separation between dissimilar ones, using weighted contributions to emphasize AMP-specific features. Furthermore, SGAC employs Weight-enhanced Pseudo-label Distillation to dynamically generate high-confidence pseudo labels for ambiguous peptides, further refining predictions and promoting balanced learning between AMPs and non-AMPs. Experiments on publicly available AMP and non-AMP datasets demonstrate that SGAC significantly outperforms traditional sequence-based methods and achieves state-of-the-art performance among graph-based models, validating its effectiveness in AMP classification.

Nan Yin, Mengzhu Wang, Zhenghan Chen et al.

The integration of Spiking Neural Networks (SNNs) and Graph Neural Networks (GNNs) is gradually attracting attention due to the low power consumption and high efficiency in processing the non-Euclidean data represented by graphs. However, as a common problem, dynamic graph representation learning faces challenges such as high complexity and large memory overheads. Current work often uses SNNs instead of Recurrent Neural Networks (RNNs) by using binary features instead of continuous ones for efficient training, which would overlooks graph structure information and leads to the loss of details during propagation. Additionally, optimizing dynamic spiking models typically requires propagation of information across time steps, which increases memory requirements. To address these challenges, we present a framework named \underline{Dy}namic \underline{S}p\underline{i}king \underline{G}raph \underline{N}eural Networks (\method{}). To mitigate the information loss problem, \method{} propagates early-layer information directly to the last layer for information compensation. To accommodate the memory requirements, we apply the implicit differentiation on the equilibrium state, which does not rely on the exact reverse of the forward computation. While traditional implicit differentiation methods are usually used for static situations, \method{} extends it to the dynamic graph setting. Extensive experiments on three large-scale real-world dynamic graph datasets validate the effectiveness of \method{} on dynamic node classification tasks with lower computational costs.

Nan Yin

Currently, most Graph Structure Learning (GSL) methods, as a means of learning graph structure, improve the robustness of GNN merely from a local view by considering the local information related to each edge and indiscriminately applying the mechanism across edges, which may suffer from the local structure heterogeneity of the graph (\ie the uneven distribution of inter-class connections over nodes). To overcome the cons, we extract the graph structure as a learnable parameter and jointly learn the structure and common parameters of GNN from the global view. Excitingly, the common parameters contain the global information for nodes features mapping, which is also crucial for structure optimization (\ie optimizing the structure relies on global mapping information). Mathematically, we apply a generic structure extractor to abstract the graph structure and transform GNNs in the form of learning structure and common parameters. Then, we model the learning process as a novel bi-level optimization, \ie \textit{Generic Structure Extraction with Bi-level Optimization for Graph Structure Learning (GSEBO)}, which optimizes GNN parameters in the upper level to obtain the global mapping information and graph structure is optimized in the lower level with the global information learned from the upper level. We instantiate the proposed GSEBO on classical GNNs and compare it with the state-of-the-art GSL methods. Extensive experiments validate the effectiveness of the proposed GSEBO on four real-world datasets.

Haoxin Wang, Yipeng Mo, Kunlan Xiang et al.

In the domain of multivariate time series analysis, the concept of channel independence has been increasingly adopted, demonstrating excellent performance due to its ability to eliminate noise and the influence of irrelevant variables. However, such a concept often simplifies the complex interactions among channels, potentially leading to information loss. To address this challenge, we propose a strategy of channel independence followed by mixing. Based on this strategy, we introduce CSformer, a novel framework featuring a two-stage multiheaded self-attention mechanism. This mechanism is designed to extract and integrate both channel-specific and sequence-specific information. Distinctively, CSformer employs parameter sharing to enhance the cooperative effects between these two types of information. Moreover, our framework effectively incorporates sequence and channel adapters, significantly improving the model's ability to identify important information across various dimensions. Extensive experiments on several real-world datasets demonstrate that CSformer achieves state-of-the-art results in terms of overall performance.

Yingxu Wang, Kunyu Zhang, Jiaxin Huang et al.

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity, bioactivity, and physicochemical properties through the integration of structural and semantic information. However, existing multimodal methods suffer from two key limitations: (1) they typically perform cross-modal interaction only at the final encoder layer, thus overlooking hierarchical semantic dependencies; (2) they lack a unified prototype space for robust alignment between modalities. To address these limitations, we propose ProtoMol, a prototype-guided multimodal framework that enables fine-grained integration and consistent semantic alignment between molecular graphs and textual descriptions. ProtoMol incorporates dual-branch hierarchical encoders, utilizing Graph Neural Networks to process structured molecular graphs and Transformers to encode unstructured texts, resulting in comprehensive layer-wise representations. Then, ProtoMol introduces a layer-wise bidirectional cross-modal attention mechanism that progressively aligns semantic features across layers. Furthermore, a shared prototype space with learnable, class-specific anchors is constructed to guide both modalities toward coherent and discriminative representations. Extensive experiments on multiple benchmark datasets demonstrate that ProtoMol consistently outperforms state-of-the-art baselines across a variety of molecular property prediction tasks.