Jiamin Lu

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.

Jun Feng, Xueyi Liu, Jiamin Lu et al.

Accurate flood prediction is crucial for disaster prevention and mitigation. Hydrological data exhibit highly nonlinear temporal patterns and encompass complex spatial relationships between rainfall and flow. Existing flood prediction models struggle to capture these intricate temporal features and spatial dependencies. This paper presents an adaptive periodic and spatial self-attention method based on LSTM (APS-LSTM) to address these challenges. The APS-LSTM learns temporal features from a multi-periodicity perspective and captures diverse spatial dependencies from different period divisions. The APS-LSTM consists of three main stages, (i) Multi-Period Division, that utilizes Fast Fourier Transform (FFT) to divide various periodic patterns; (ii) Spatio-Temporal Information Extraction, that performs periodic and spatial self-attention focusing on intra- and inter-periodic temporal patterns and spatial dependencies; (iii) Adaptive Aggregation, that relies on amplitude strength to aggregate the computational results from each periodic division. The abundant experiments on two real-world datasets demonstrate the superiority of APS-LSTM. The code is available: https://github.com/oopcmd/APS-LSTM.

Shitao Wang, Jiamin Lu

Across various domains, data from different sources such as Baidu Baike and Wikipedia often manifest in distinct forms. Current entity matching methodologies predominantly focus on homogeneous data, characterized by attributes that share the same structure and concise attribute values. However, this orientation poses challenges in handling data with diverse formats. Moreover, prevailing approaches aggregate the similarity of attribute values between corresponding attributes to ascertain entity similarity. Yet, they often overlook the intricate interrelationships between attributes, where one attribute may have multiple associations. The simplistic approach of pairwise attribute comparison fails to harness the wealth of information encapsulated within entities.To address these challenges, we introduce a novel entity matching model, dubbed Entity Matching Model for Capturing Complex Attribute Relationships(EMM-CCAR),built upon pre-trained models. Specifically, this model transforms the matching task into a sequence matching problem to mitigate the impact of varying data formats. Moreover, by introducing attention mechanisms, it identifies complex relationships between attributes, emphasizing the degree of matching among multiple attributes rather than one-to-one correspondences. Through the integration of the EMM-CCAR model, we adeptly surmount the challenges posed by data heterogeneity and intricate attribute interdependencies. In comparison with the prevalent DER-SSM and Ditto approaches, our model achieves improvements of approximately 4% and 1% in F1 scores, respectively. This furnishes a robust solution for addressing the intricacies of attribute complexity in entity matching.

Chenguang Xue, Jiamin Lu

Recent span-based joint extraction models have demonstrated significant advantages in both entity recognition and relation extraction. These models treat text spans as candidate entities, and span pairs as candidate relationship tuples, achieving state-of-the-art results on datasets like ADE. However, these models encounter a significant number of non-entity spans or irrelevant span pairs during the tasks, impairing model performance significantly. To address this issue, this paper introduces a span-based multitask entity-relation joint extraction model. This approach employs the multitask learning to alleviate the impact of negative samples on entity and relation classifiers. Additionally, we leverage the Intersection over Union(IoU) concept to introduce the positional information into the entity classifier, achieving a span boundary detection. Furthermore, by incorporating the entity Logits predicted by the entity classifier into the embedded representation of entity pairs, the semantic input for the relation classifier is enriched. Experimental results demonstrate that our proposed SpERT.MT model can effectively mitigate the adverse effects of excessive negative samples on the model performance. Furthermore, the model demonstrated commendable F1 scores of 73.61\%, 53.72\%, and 83.72\% on three widely employed public datasets, namely CoNLL04, SciERC, and ADE, respectively.