Chen Ma

Lei Wang, Chen Ma, Xueyang Feng et al.

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges significantly from human learning processes, and thus makes the agents hard to achieve human-like decisions. Recently, through the acquisition of vast amounts of web knowledge, large language models (LLMs) have demonstrated remarkable potential in achieving human-level intelligence. This has sparked an upsurge in studies investigating LLM-based autonomous agents. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of the field of LLM-based autonomous agents from a holistic perspective. More specifically, we first discuss the construction of LLM-based autonomous agents, for which we propose a unified framework that encompasses a majority of the previous work. Then, we present a comprehensive overview of the diverse applications of LLM-based autonomous agents in the fields of social science, natural science, and engineering. Finally, we delve into the evaluation strategies commonly used for LLM-based autonomous agents. Based on the previous studies, we also present several challenges and future directions in this field. To keep track of this field and continuously update our survey, we maintain a repository of relevant references at https://github.com/Paitesanshi/LLM-Agent-Survey.

Shengyin Sun, Yuxiang Ren, Jiehao Chen et al.

The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recent work has begun investigating the potential of applying LLMs in graph learning tasks. However, most of the existing work focuses on utilizing LLMs as powerful node feature augmenters, leaving employing LLMs to enhance graph topological structures an understudied problem. In this work, we explore how to leverage the information retrieval and text generation capabilities of LLMs to refine/enhance the topological structure of text-attributed graphs (TAGs) under the node classification setting. First, we propose using LLMs to help remove unreliable edges and add reliable ones in the TAG. Specifically, we first let the LLM output the semantic similarity between node attributes through delicate prompt designs, and then perform edge deletion and edge addition based on the similarity. Second, we propose using pseudo-labels generated by the LLM to improve graph topology, that is, we introduce the pseudo-label propagation as a regularization to guide the graph neural network (GNN) in learning proper edge weights. Finally, we incorporate the two aforementioned LLM-based methods for graph topological refinement into the process of GNN training, and perform extensive experiments on four real-world datasets. The experimental results demonstrate the effectiveness of LLM-based graph topology refinement (achieving a 0.15%--2.47% performance gain on public benchmarks).

Bowei He, Chen Ma

Personalized item ranking has been a crucial component contributing to the performance of recommender systems. As a representative approach, pairwise ranking directly optimizes the ranking with user implicit feedback by constructing (\textit{user}, \textit{positive item}, \textit{negative item}) triplets. Several recent works have noticed that treating all triplets equally may hardly achieve the best effects. They assign different importance scores to negative items, user-item pairs, or triplets, respectively. However, almost all the generated importance scores are groundless and hard to interpret, thus far from trustworthy and transparent. To tackle these, we propose the \textit{Triplet Shapley} -- a Shapely value-based method to measure the triplet importance in an interpretable manner. Due to the huge number of triplets, we transform the original Shapley value calculation to the Monte Carlo (MC) approximation, where the guarantee for the approximation unbiasedness is also provided. To stabilize the MC approximation, we adopt a control covariates-based method. Finally, we utilize the triplet Shapley value to guide the resampling of important triplets for benefiting the model learning. Extensive experiments are conducted on six public datasets involving classical matrix factorization- and graph neural network-based recommendation models. Empirical results and subsequent analysis show that our model consistently outperforms the state-of-the-art methods.

Shengyin Sun, Wenhao Yu, Yuxiang Ren et al.

Retrosynthesis prediction focuses on identifying reactants capable of synthesizing a target product. Typically, the retrosynthesis prediction involves two phases: Reaction Center Identification and Reactant Generation. However, we argue that most existing methods suffer from two limitations in the two phases: (i) Existing models do not adequately capture the ``face'' information in molecular graphs for the reaction center identification. (ii) Current approaches for the reactant generation predominantly use sequence generation in a 2D space, which lacks versatility in generating reasonable distributions for completed reactive groups and overlooks molecules' inherent 3D properties. To overcome the above limitations, we propose GDiffRetro. For the reaction center identification, GDiffRetro uniquely integrates the original graph with its corresponding dual graph to represent molecular structures, which helps guide the model to focus more on the faces in the graph. For the reactant generation, GDiffRetro employs a conditional diffusion model in 3D to further transform the obtained synthon into a complete reactant. Our experimental findings reveal that GDiffRetro outperforms state-of-the-art semi-template models across various evaluative metrics.

Bowei He, Lihao Yin, Hui-Ling Zhen et al.

Model pruning is an effective approach for compressing large language models (LLMs). However, this process often leads to significant degradation of model capabilities. While post-training techniques such as instruction tuning are commonly employed to recover model performance, existing methods often overlook the uneven deterioration of model capabilities and incur high computational costs. Moreover, some irrelevant instructions may also introduce negative effects to model capacity recovery. To address these challenges, we propose the \textbf{P}ost-training d\textbf{A}ta \textbf{S}election method for \textbf{E}fficient pruned large language model \textbf{R}ecovery (\textbf{PASER}). PASER aims to identify instructions to recover the most compromised model capacities with a certain data budget. Our approach first applies manifold learning and spectral clustering to group recovery instructions in the semantic space, revealing capability-specific instruction sets. Then, the data budget is adaptively allocated across clusters by the degree of corresponding model capability degradation. In each cluster, we prioritize data samples that lead to the most decline of model performance. To mitigate potential negative tuning effects, we also detect and filter out conflicting or irrelevant recovery data. Extensive experiments demonstrate that PASER significantly outperforms conventional baselines, effectively recovering the general capabilities of pruned LLMs while utilizing merely 4\%-20\% of the original post-training data. We provide the anonymous code repository in \href{https://anonymous.4open.science/r/PASER-E606}{Link}.

Jiamin Chen, Yuchen Li, Xinyu Ma et al.

Retrieval-Augmented Generation (RAG) has become an essential approach for extending the reasoning and knowledge capacity of large language models (LLMs). While prior research has primarily focused on retrieval quality and prompting strategies, the influence of how the retrieved documents are framed, i.e., context format, remains underexplored. We show that seemingly superficial choices, such as delimiters or structural markers in key-value extraction, can induce substantial shifts in accuracy and stability, even when semantic content is identical. To systematically investigate this effect, we design controlled experiments that vary context density, delimiter styles, and positional placement, revealing the underlying factors that govern performance differences. Building on these insights, we introduce Contextual Normalization, a lightweight strategy that adaptively standardizes context representations before generation. Extensive experiments on both controlled and real-world RAG benchmarks across diverse settings demonstrate that the proposed strategy consistently improves robustness to order variation and strengthens long-context utilization. These findings underscore that reliable RAG depends not only on retrieving the right content, but also on how that content is presented, offering both new empirical evidence and a practical technique for better long-context reasoning.