Chengbin Hou

Tianyu Zhang, Yuxiang Ren, Chengbin Hou et al.

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the pre-training framework have achieved impressive results. However, these methods heavily rely on biochemical experts, and retrieving and summarizing vast amounts of domain knowledge literature is both time-consuming and expensive. Large Language Models (LLMs) have demonstrated remarkable performance in understanding and efficiently providing general knowledge. Nevertheless, they occasionally exhibit hallucinations and lack precision in generating domain-specific knowledge. Conversely, Domain-specific Small Models (DSMs) possess rich domain knowledge and can accurately calculate molecular domain-related metrics. However, due to their limited model size and singular functionality, they lack the breadth of knowledge necessary for comprehensive representation learning. To leverage the advantages of both approaches in molecular property prediction, we propose a novel Molecular Graph representation learning framework that integrates Large language models and Domain-specific small models (MolGraph-LarDo). Technically, we design a two-stage prompt strategy where DSMs are introduced to calibrate the knowledge provided by LLMs, enhancing the accuracy of domain-specific information and thus enabling LLMs to generate more precise textual descriptions for molecular samples. Subsequently, we employ a multi-modal alignment method to coordinate various modalities, including molecular graphs and their corresponding descriptive texts, to guide the pre-training of molecular representations. Extensive experiments demonstrate the effectiveness of the proposed method.

Wenhao Mao, Chengbin Hou, Tianyu Zhang et al.

Offering rich contexts to Large Language Models (LLMs) has shown to boost the performance in various tasks, but the resulting longer prompt would increase the computational cost and might exceed the input limit of LLMs. Recently, some prompt compression methods have been suggested to shorten the length of prompts by using language models to generate shorter prompts or by developing computational models to select important parts of original prompt. The generative compression methods would suffer from issues like hallucination, while the selective compression methods have not involved linguistic rules and overlook the global structure of prompt. To this end, we propose a novel selective compression method called PartPrompt. It first obtains a parse tree for each sentence based on linguistic rules, and calculates local information entropy for each node in a parse tree. These local parse trees are then organized into a global tree according to the hierarchical structure such as the dependency of sentences, paragraphs, and sections. After that, the root-ward propagation and leaf-ward propagation are proposed to adjust node values over the global tree. Finally, a recursive algorithm is developed to prune the global tree based on the adjusted node values. The experiments show that PartPrompt receives the state-of-the-art performance across various datasets, metrics, compression ratios, and target LLMs for inference. The in-depth ablation studies confirm the effectiveness of designs in PartPrompt, and other additional experiments also demonstrate its superiority in terms of the coherence of compressed prompts and in the extreme long prompt scenario.

Xinyu Lin, Tianyu Zhang, Chengbin Hou et al.

Node Importance Estimation (NIE) is a task that quantifies the importance of node in a graph. Recent research has investigated to exploit various information from Knowledge Graphs (KGs) to estimate node importance scores. However, the semantic information in KGs could be insufficient, missing, and inaccurate, which would limit the performance of existing NIE models. To address these issues, we leverage Large Language Models (LLMs) for semantic augmentation thanks to the LLMs' extra knowledge and ability of integrating knowledge from both LLMs and KGs. To this end, we propose the LLMs Empowered Node Importance Estimation (LENIE) method to enhance the semantic information in KGs for better supporting NIE tasks. To our best knowledge, this is the first work incorporating LLMs into NIE. Specifically, LENIE employs a novel clustering-based triplet sampling strategy to extract diverse knowledge of a node sampled from the given KG. After that, LENIE adopts the node-specific adaptive prompts to integrate the sampled triplets and the original node descriptions, which are then fed into LLMs for generating richer and more precise augmented node descriptions. These augmented descriptions finally initialize node embeddings for boosting the downstream NIE model performance. Extensive experiments demonstrate LENIE's effectiveness in addressing semantic deficiencies in KGs, enabling more informative semantic augmentation and enhancing existing NIE models to achieve the state-of-the-art performance. The source code of LENIE is freely available at \url{https://github.com/XinyuLin-FZ/LENIE}.

Hanzhe Liang, Guoyang Xie, Chengbin Hou et al.

3D anomaly detection has recently become a significant focus in computer vision. Several advanced methods have achieved satisfying anomaly detection performance. However, they typically concentrate on the external structure of 3D samples and struggle to leverage the internal information embedded within samples. Inspired by the basic intuition of why not look inside for more, we introduce a straightforward method named Internal Spatial Modality Perception~(ISMP) to explore the feature representation from internal views fully. Specifically, our proposed ISMP consists of a critical perception module, Spatial Insight Engine~(SIE), which abstracts complex internal information of point clouds into essential global features. Besides, to better align structural information with point data, we propose an enhanced key point feature extraction module for amplifying spatial structure feature representation. Simultaneously, a novel feature filtering module is incorporated to reduce noise and redundant features for further aligning precise spatial structure. Extensive experiments validate the effectiveness of our proposed method, achieving object-level and pixel-level AUROC improvements of 3.2\% and 13.1\%, respectively, on the Real3D-AD benchmarks. Note that the strong generalization ability of SIE has been theoretically proven and is verified in both classification and segmentation tasks.

Jiarui Song, Yunheng Shen, Chengbin Hou et al.

Personalized Federated Learning (PFL) aims to address the statistical heterogeneity of data across clients by learning the personalized model for each client. Among various PFL approaches, the personalized aggregation-based approach conducts parameter aggregation in the server-side aggregation phase to generate personalized models, and focuses on learning appropriate collaborative relationships among clients for aggregation. However, the collaborative relationships vary in different scenarios and even at different stages of the FL process. To this end, we propose Personalized Federated Learning with Attentive Graph HyperNetworks (FedAGHN), which employs Attentive Graph HyperNetworks (AGHNs) to dynamically capture fine-grained collaborative relationships and generate client-specific personalized initial models. Specifically, AGHNs empower graphs to explicitly model the client-specific collaborative relationships, construct collaboration graphs, and introduce tunable attentive mechanism to derive the collaboration weights, so that the personalized initial models can be obtained by aggregating parameters over the collaboration graphs. Extensive experiments can demonstrate the superiority of FedAGHN. Moreover, a series of visualizations are presented to explore the effectiveness of collaboration graphs learned by FedAGHN.

Ziming Tang, Chengbin Hou, Tianyu Zhang et al.

Parkinson's disease (PD) is one of the most common neurodegenerative disorder. PD telemonitoring emerges as a novel assessment modality enabling self-administered at-home tests of Unified Parkinson's Disease Rating Scale (UPDRS) scores, enhancing accessibility for PD patients. However, three types of noise would occur during measurements: (1) patient-induced measurement inaccuracies, (2) environmental noise, and (3) data packet loss during transmission, resulting in higher prediction errors. To address these challenges, NoRo, a noise-robust UPDRS prediction framework is proposed. First, the original speech features are grouped into ordered bins, based on the continuous values of a selected feature, to construct contrastive pairs. Second, the contrastive pairs are employed to train a multilayer perceptron encoder for generating noise-robust features. Finally, these features are concatenated with the original features as the augmented features, which are then fed into the UPDRS prediction models. Notably, we further introduces a novel evaluation approach with customizable noise injection module, and extensive experiments show that NoRo can successfully enhance the noise robustness of UPDRS prediction across various downstream prediction models under different noisy environments.