Chuanjie Wu

2papers

2 Papers

77.0IRMay 30Code
MemGraphRAG: Memory-based Multi-Agent System for Graph Retrieval-Augmented Generation

Chuanjie Wu, Zhishang Xiang, Yunbo Tang et al.

Retrieval-Augmented Generation (RAG) has become an essential method for mitigating hallucinations in Large Language Models (LLMs) by leveraging external knowledge. Although effective for simple queries, traditional RAG struggles with large-scale, unstructured corpora where information is highly fragmented. Graph-based RAG (GraphRAG) incorporates knowledge graphs to capture structural relationships, enabling more comprehensive retrieval for complex reasoning. However, existing GraphRAG methods rely on isolated, fragment-level extraction for graph construction, lacking a global perspective on the whole corpus. As a result, these methods frequently lead to thematically inconsistent, logically conflicting, and structurally fragmented graphs that degrade retrieval performance. In this paper, we propose MemGraphRAG, a novel framework that introduces a memory-based multi-agent system to ensure high-quality graph construction. Specifically, MemGraphRAG employs a collaborative society of agents supported by shared memory, which provides a unified global context throughout the extraction process. This mechanism allows agents to dynamically resolve logical conflicts and maintain structural connectivity throughout the corpus. Furthermore, we propose a memory-aware hierarchical retrieval algorithm tailored for the constructed graph. Extensive experiments on multiple benchmarks demonstrate that MemGraphRAG outperforms the state-of-the-art baseline models with comparable efficiency. Our code is available at https://github.com/XMUDeepLIT/MemGraphRAG.

CHEM-PHNov 22, 2019
Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space

James M. Stevenson, Leif D. Jacobson, Yutong Zhao et al.

We have developed a neural network potential energy function for use in drug discovery, with chemical element support extended from 41% to 94% of druglike molecules based on ChEMBL. We expand on the work of Smith et al., with their highly accurate network for the elements H, C, N, O, creating a network for H, C, N, O, S, F, Cl, P. We focus particularly on the calculation of relative conformer energies, for which we show that our new potential energy function has an RMSE of 0.70 kcal/mol for prospective druglike molecule conformers, substantially better than the previous state of the art. The speed and accuracy of this model could greatly accelerate the parameterization of protein-ligand binding free energy calculations for novel druglike molecules.