Bai, Jing
BSM: Small but Powerful Biological Sequence Model for Genes and Proteins
Xiang, Weixi, Han, Xueting, Chai, Xiujuan, Bai, Jing
Modeling biological sequences such as DNA, RNA, and proteins is crucial for understanding complex processes like gene regulation and protein synthesis. However, most current models either focus on a single type or treat multiple types of data separately, limiting their ability to capture cross-modal relationships. We propose that by learning the relationships between these modalities, the model can enhance its understanding of each type. To address this, we introduce BSM, a small but powerful mixed-modal biological sequence foundation model, trained on three types of data: RefSeq, Gene Related Sequences, and interleaved biological sequences from the web. These datasets capture the genetic flow, gene-protein relationships, and the natural co-occurrence of diverse biological data, respectively. By training on mixed-modal data, BSM significantly enhances learning efficiency and cross-modal representation, outperforming models trained solely on unimodal data. With only 110M parameters, BSM achieves performance comparable to much larger models across both single-modal and mixed-modal tasks, and uniquely demonstrates in-context learning capability for mixed-modal tasks, which is absent in existing models. Further scaling to 270M parameters demonstrates even greater performance gains, highlighting the potential of BSM as a significant advancement in multimodal biological sequence modeling.
NutePrune: Efficient Progressive Pruning with Numerous Teachers for Large Language Models
Li, Shengrui, Han, Xueting, Bai, Jing
The considerable size of Large Language Models (LLMs) presents notable deployment challenges, particularly on resource-constrained hardware. Structured pruning, offers an effective means to compress LLMs, thereby reducing storage costs and enhancing inference speed for more efficient utilization. In this work, we study data-efficient and resource-efficient structure pruning methods to obtain smaller yet still powerful models. Knowledge Distillation is well-suited for pruning, as the intact model can serve as an excellent teacher for pruned students. However, it becomes challenging in the context of LLMs due to memory constraints. To address this, we propose an efficient progressive Numerous-teacher pruning method (NutePrune). NutePrune mitigates excessive memory costs by loading only one intact model and integrating it with various masks and LoRA modules, enabling it to seamlessly switch between teacher and student roles. This approach allows us to leverage numerous teachers with varying capacities to progressively guide the pruned model, enhancing overall performance. Extensive experiments across various tasks demonstrate the effectiveness of NutePrune. In LLaMA-7B zero-shot experiments, NutePrune retains 97.17% of the performance of the original model at 20% sparsity and 95.07% at 25% sparsity.
AdapterGNN: Parameter-Efficient Fine-Tuning Improves Generalization in GNNs
Li, Shengrui, Han, Xueting, Bai, Jing
Fine-tuning pre-trained models has recently yielded remarkable performance gains in graph neural networks (GNNs). In addition to pre-training techniques, inspired by the latest work in the natural language fields, more recent work has shifted towards applying effective fine-tuning approaches, such as parameter-efficient fine-tuning (PEFT). However, given the substantial differences between GNNs and transformer-based models, applying such approaches directly to GNNs proved to be less effective. In this paper, we present a comprehensive comparison of PEFT techniques for GNNs and propose a novel PEFT method specifically designed for GNNs, called AdapterGNN. AdapterGNN preserves the knowledge of the large pre-trained model and leverages highly expressive adapters for GNNs, which can adapt to downstream tasks effectively with only a few parameters, while also improving the model's generalization ability. Extensive experiments show that AdapterGNN achieves higher performance than other PEFT methods and is the only one consistently surpassing full fine-tuning (outperforming it by 1.6% and 5.7% in the chemistry and biology domains respectively, with only 5% and 4% of its parameters tuned) with lower generalization gaps. Moreover, we empirically show that a larger GNN model can have a worse generalization ability, which differs from the trend observed in large transformer-based models. Building upon this, we provide a theoretical justification for PEFT can improve generalization of GNNs by applying generalization bounds. Our code is available at https://github.com/Lucius-lsr/AdapterGNN.
Time-aware Graph Structure Learning via Sequence Prediction on Temporal Graphs
Zhang, Haozhen, Han, Xueting, Xiao, Xi, Bai, Jing
Temporal Graph Learning, which aims to model the time-evolving nature of graphs, has gained increasing attention and achieved remarkable performance recently. However, in reality, graph structures are often incomplete and noisy, which hinders temporal graph networks (TGNs) from learning informative representations. Graph contrastive learning uses data augmentation to generate plausible variations of existing data and learn robust representations. However, rule-based augmentation approaches may be suboptimal as they lack learnability and fail to leverage rich information from downstream tasks. To address these issues, we propose a Time-aware Graph Structure Learning (TGSL) approach via sequence prediction on temporal graphs, which learns better graph structures for downstream tasks through adding potential temporal edges. In particular, it predicts time-aware context embedding based on previously observed interactions and uses the Gumble-Top-K to select the closest candidate edges to this context embedding. Additionally, several candidate sampling strategies are proposed to ensure both efficiency and diversity. Furthermore, we jointly learn the graph structure and TGNs in an end-to-end manner and perform inference on the refined graph. Extensive experiments on temporal link prediction benchmarks demonstrate that TGSL yields significant gains for the popular TGNs such as TGAT and GraphMixer, and it outperforms other contrastive learning methods on temporal graphs. We release the code at https://github.com/ViktorAxelsen/TGSL.
Creating Training Sets via Weak Indirect Supervision
Zhang, Jieyu, Wang, Bohan, Song, Xiangchen, Wang, Yujing, Yang, Yaming, Bai, Jing, Ratner, Alexander
Creating labeled training sets has become one of the major roadblocks in machine learning. To address this, recent Weak Supervision (WS) frameworks synthesize training labels from multiple potentially noisy supervision sources. However, existing frameworks are restricted to supervision sources that share the same output space as the target task. To extend the scope of usable sources, we formulate Weak Indirect Supervision (WIS), a new research problem for automatically synthesizing training labels based on indirect supervision sources that have different output label spaces. To overcome the challenge of mismatched output spaces, we develop a probabilistic modeling approach, PLRM, which uses user-provided label relations to model and leverage indirect supervision sources. Moreover, we provide a theoretically-principled test of the distinguishability of PLRM for unseen labels, along with an generalization bound. On both image and text classification tasks as well as an industrial advertising application, we demonstrate the advantages of PLRM by outperforming baselines by a margin of 2%-9%.
Attentive Knowledge-aware Graph Convolutional Networks with Collaborative Guidance for Recommendation
Chen, Yankai, Yang, Yaming, Wang, Yujing, Bai, Jing, Song, Xiangchen, King, Irwin
To alleviate data sparsity and cold-start problems of traditional recommender systems (RSs), incorporating knowledge graphs (KGs) to supplement auxiliary information has attracted considerable attention recently. However, simply integrating KGs in current KG-based RS models is not necessarily a guarantee to improve the recommendation performance, which may even weaken the holistic model capability. This is because the construction of these KGs is independent of the collection of historical user-item interactions; hence, information in these KGs may not always be helpful for recommendation to all users. In this paper, we propose attentive Knowledge-aware Graph convolutional networks with Collaborative Guidance for personalized Recommendation (CG-KGR). CG-KGR is a novel knowledge-aware recommendation model that enables ample and coherent learning of KGs and user-item interactions, via our proposed Collaborative Guidance Mechanism. Specifically, CG-KGR first encapsulates historical interactions to interactive information summarization. Then CG-KGR utilizes it as guidance to extract information out of KGs, which eventually provides more precise personalized recommendation. We conduct extensive experiments on four real-world datasets over two recommendation tasks, i.e., Top-K recommendation and Click-Through rate (CTR) prediction. The experimental results show that the CG-KGR model significantly outperforms recent state-of-the-art models by 4.0-53.2% and 0.4-3.2%, in terms of Recall metric on Top-K recommendation and AUC on CTR prediction, respectively.
Spectral Temporal Graph Neural Network for Multivariate Time-series Forecasting
Cao, Defu, Wang, Yujing, Duan, Juanyong, Zhang, Ce, Zhu, Xia, Huang, Conguri, Tong, Yunhai, Xu, Bixiong, Bai, Jing, Tong, Jie, Zhang, Qi
Multivariate time-series forecasting plays a crucial role in many real-world applications. It is a challenging problem as one needs to consider both intra-series temporal correlations and inter-series correlations simultaneously. Recently, there have been multiple works trying to capture both correlations, but most, if not all of them only capture temporal correlations in the time domain and resort to pre-defined priors as inter-series relationships. In this paper, we propose Spectral Temporal Graph Neural Network (StemGNN) to further improve the accuracy of multivariate time-series forecasting. StemGNN captures inter-series correlations and temporal dependencies \textit{jointly} in the \textit{spectral domain}. It combines Graph Fourier Transform (GFT) which models inter-series correlations and Discrete Fourier Transform (DFT) which models temporal dependencies in an end-to-end framework. After passing through GFT and DFT, the spectral representations hold clear patterns and can be predicted effectively by convolution and sequential learning modules. Moreover, StemGNN learns inter-series correlations automatically from the data without using pre-defined priors. We conduct extensive experiments on ten real-world datasets to demonstrate the effectiveness of StemGNN. Code is available at https://github.com/microsoft/StemGNN/
Multivariate Time-series Anomaly Detection via Graph Attention Network
Zhao, Hang, Wang, Yujing, Duan, Juanyong, Huang, Congrui, Cao, Defu, Tong, Yunhai, Xu, Bixiong, Bai, Jing, Tong, Jie, Zhang, Qi
Anomaly detection on multivariate time-series is of great importance in both data mining research and industrial applications. Recent approaches have achieved significant progress in this topic, but there is remaining limitations. One major limitation is that they do not capture the relationships between different time-series explicitly, resulting in inevitable false alarms. In this paper, we propose a novel self-supervised framework for multivariate time-series anomaly detection to address this issue. Our framework considers each univariate time-series as an individual feature and includes two graph attention layers in parallel to learn the complex dependencies of multivariate time-series in both temporal and feature dimensions. In addition, our approach jointly optimizes a forecasting-based model and are construction-based model, obtaining better time-series representations through a combination of single-timestamp prediction and reconstruction of the entire time-series. We demonstrate the efficacy of our model through extensive experiments. The proposed method outperforms other state-of-the-art models on three real-world datasets. Further analysis shows that our method has good interpretability and is useful for anomaly diagnosis.