Yuyang Du

Ziqing Wang, Zhirong Ye, Yuyang Du et al.

DBSCAN has been widely used in density-based clustering algorithms. However, with the increasing demand for Multi-density clustering, previous traditional DSBCAN can not have good clustering results on Multi-density datasets. In order to address this problem, an adaptive Multi-density DBSCAN algorithm (AMD-DBSCAN) is proposed in this paper. An improved parameter adaptation method is proposed in AMD-DBSCAN to search for multiple parameter pairs (i.e., Eps and MinPts), which are the key parameters to determine the clustering results and performance, therefore allowing the model to be applied to Multi-density datasets. Moreover, only one hyperparameter is required for AMD-DBSCAN to avoid the complicated repetitive initialization operations. Furthermore, the variance of the number of neighbors (VNN) is proposed to measure the difference in density between each cluster. The experimental results show that our AMD-DBSCAN reduces execution time by an average of 75% due to lower algorithm complexity compared with the traditional adaptive algorithm. In addition, AMD-DBSCAN improves accuracy by 24.7% on average over the state-of-the-art design on Multi-density datasets of extremely variable density, while having no performance loss in Single-density scenarios. Our code and datasets are available at https://github.com/AlexandreWANG915/AMD-DBSCAN.

Kexin Chen, Jiamin Lu, Junyou Li et al.

Recent AI research plots a promising future of automatic chemical reactions within the chemistry society. This study proposes Chemist-X, a comprehensive AI agent that automates the reaction condition optimization (RCO) task in chemical synthesis with retrieval-augmented generation (RAG) technology and AI-controlled wet-lab experiment executions. To begin with, as an emulation on how chemical experts solve the RCO task, Chemist-X utilizes a novel RAG scheme to interrogate available molecular and literature databases to narrow the searching space for later processing. The agent then leverages a computer-aided design (CAD) tool we have developed through a large language model (LLM) supervised programming interface. With updated chemical knowledge obtained via RAG, as well as the ability in using CAD tools, our agent significantly outperforms conventional RCO AIs confined to the fixed knowledge within its training data. Finally, Chemist-X interacts with the physical world through an automated robotic system, which can validate the suggested chemical reaction condition without human interventions. The control of the robotic system was achieved with a novel algorithm we have developed for the equipment, which relies on LLMs for reliable script generation. Results of our automatic wet-lab experiments, achieved by fully LLM-supervised end-to-end operation with no human in the lope, prove Chemist-X's ability in self-driving laboratories.

Kexin Chen, Yuyang Du, Junyou Li et al.

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature represents a vast, underexplored data source containing thousands of reactions published annually. However, extracting reaction information from literature faces significant challenges including varied writing styles, complex coreference relationships, and multimodal information presentation. This paper proposes ChemMiner, a novel end-to-end framework leveraging multiple agents powered by large language models (LLMs) to extract high-fidelity chemical data from literature. ChemMiner incorporates three specialized agents: a text analysis agent for coreference mapping, a multimodal agent for non-textual information extraction, and a synthesis analysis agent for data generation. Furthermore, we developed a comprehensive benchmark with expert-annotated chemical literature to evaluate both extraction efficiency and precision. Experimental results demonstrate reaction identification rates comparable to human chemists while significantly reducing processing time, with high accuracy, recall, and F1 scores. Our open-sourced benchmark facilitates future research in chemical literature data mining.

Hongwei Cui, Yuyang Du, Qun Yang et al.

Task-oriented communications are an important element in future intelligent IoT systems. Existing IoT systems, however, are limited in their capacity to handle complex tasks, particularly in their interactions with humans to accomplish these tasks. In this paper, we present LLMind, an LLM-based task-oriented AI agent framework that enables effective collaboration among IoT devices, with humans communicating high-level verbal instructions, to perform complex tasks. Inspired by the functional specialization theory of the brain, our framework integrates an LLM with domain-specific AI modules, enhancing its capabilities. Complex tasks, which may involve collaborations of multiple domain-specific AI modules and IoT devices, are executed through a control script generated by the LLM using a Language-Code transformation approach, which first converts language descriptions to an intermediate finite-state machine (FSM) before final precise transformation to code. Furthermore, the framework incorporates a novel experience accumulation mechanism to enhance response speed and effectiveness, allowing the framework to evolve and become progressively sophisticated through continuing user and machine interactions.