Ao Zhou

Hanzi Mei, Dongqi Cai, Ao Zhou et al. · cambridge

As Large Language Models (LLMs) push the boundaries of AI capabilities, their demand for data is growing. Much of this data is private and distributed across edge devices, making Federated Learning (FL) a de-facto alternative for fine-tuning (i.e., FedLLM). However, it faces significant challenges due to the inherent heterogeneity among clients, including varying data distributions and diverse task types. Towards a versatile FedLLM, we replace traditional dense model with a sparsely-activated Mixture-of-Experts (MoE) architecture, whose parallel feed-forward networks enable greater flexibility. To make it more practical in resource-constrained environments, we present FedMoE, the efficient personalized FL framework to address data heterogeneity, constructing an optimal sub-MoE for each client and bringing the knowledge back to global MoE. FedMoE is composed of two fine-tuning stages. In the first stage, FedMoE simplifies the problem by conducting a heuristic search based on observed activation patterns, which identifies a suboptimal submodel for each client. In the second stage, these submodels are distributed to clients for further training and returned for server aggregating through a novel modular aggregation strategy. Meanwhile, FedMoE progressively adjusts the submodels to optimal through global expert recommendation. Experimental results demonstrate the superiority of our method over previous personalized FL methods.

Bin Liu, Siqi Wu, Jin Wang et al.

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from drug and target chemical structures. However, existing deep learning methods typically generate drug features via aggregating molecular atom representations, ignoring the chemical properties carried by motifs, i.e., substructures of the molecular graph. The atom-drug double-level molecular representation learning can not fully exploit structure information and fails to interpret the DTI mechanism from the motif perspective. In addition, sequential model-based target feature extraction either fuses limited contextual information or requires expensive computational resources. To tackle the above issues, we propose a hierarchical graph representation learning-based DTI prediction method (HiGraphDTI). Specifically, HiGraphDTI learns hierarchical drug representations from triple-level molecular graphs to thoroughly exploit chemical information embedded in atoms, motifs, and molecules. Then, an attentional feature fusion module incorporates information from different receptive fields to extract expressive target features.Last, the hierarchical attention mechanism identifies crucial molecular segments, which offers complementary views for interpreting interaction mechanisms. The experiment results not only demonstrate the superiority of HiGraphDTI to the state-of-the-art methods, but also confirm the practical ability of our model in interaction interpretation and new DTI discovery.