Divide, Optimize, Merge: Fine-Grained LLM Agent Optimization at Scale

LLM-based optimization has shown remarkable potential in enhancing agentic systems. However, the conventional approach of prompting LLM optimizer with the whole training trajectories on training dataset in a single pass becomes untenable as datasets grow, leading to context window overflow and degraded pattern recognition. To address these challenges, we propose Fine-Grained Optimization (FGO), a scalable framework that divides large optimization tasks into manageable subsets, performs targeted optimizations, and systematically combines optimized components through progressive merging. Evaluation across ALFWorld, LogisticsQA, and GAIA benchmarks demonstrate that FGO outperforms existing approaches by 1.6-8.6% while reducing average prompt token consumption by 56.3%. Our framework provides a practical solution for scaling up LLM-based optimization of increasingly sophisticated agent systems. Further analysis demonstrates that FGO achieves the most consistent performance gain in all training dataset sizes, showcasing its scalability and efficiency.

Which Agent Causes Task Failures and When? On Automated Failure Attribution of LLM Multi-Agent Systems

Failure attribution in LLM multi-agent systems-identifying the agent and step responsible for task failures-provides crucial clues for systems debugging but remains underexplored and labor-intensive. In this paper, we propose and formulate a new research area: automated failure attribution for LLM multi-agent systems. To support this initiative, we introduce the Who&When dataset, comprising extensive failure logs from 127 LLM multi-agent systems with fine-grained annotations linking failures to specific agents and decisive error steps. Using the Who&When, we develop and evaluate three automated failure attribution methods, summarizing their corresponding pros and cons. The best method achieves 53.5% accuracy in identifying failure-responsible agents but only 14.2% in pinpointing failure steps, with some methods performing below random. Even SOTA reasoning models, such as OpenAI o1 and DeepSeek R1, fail to achieve practical usability. These results highlight the task's complexity and the need for further research in this area. Code and dataset are available at https://github.com/mingyin1/Agents_Failure_Attribution

Identifying Trustworthiness Challenges in Deep Learning Models for Continental-Scale Water Quality Prediction

Water quality is foundational to environmental sustainability, ecosystem resilience, and public health. Deep learning models, particularly Long Short-Term Memory (LSTM) networks, offer transformative potential for large-scale water quality prediction and scientific insights generation. However, their widespread adoption in high-stakes decision-making, such as pollution mitigation and equitable resource allocation, is prevented by unresolved trustworthiness challenges including fairness, uncertainty, interpretability, robustness, generalizability, and reproducibility. In this work, we present the first comprehensive evaluation of trustworthiness in a continental-scale multi-task LSTM model predicting 20 water quality variables (encompassing physical/chemical processes, geochemical weathering, and nutrient cycling) across 482 U.S. basins. Our investigation uncovers systematic patterns of model performance disparities linked to basin characteristics, the inherent complexity of biogeochemical processes, and variable predictability, emphasizing critical performance fairness concerns. We further propose methodological frameworks for quantitatively evaluating critical aspects of trustworthiness, including uncertainty, interpretability, and robustness, identifying key limitations that could challenge reliable real-world deployment. This work serves as a timely call to action for advancing trustworthy data-driven methods for water resources management and provides a pathway to offering critical insights for researchers, decision-makers, and practitioners seeking to leverage artificial intelligence (AI) responsibly in environmental management.

CovNet: Covariance Information-Assisted CSI Feedback for FDD Massive MIMO Systems

In this paper, we propose a novel covariance information-assisted channel state information (CSI) feedback scheme for frequency-division duplex (FDD) massive multi-input multi-output (MIMO) systems. Unlike most existing CSI feedback schemes, which rely on instantaneous CSI only, the proposed CovNet leverages CSI covariance information to achieve high-performance CSI reconstruction, primarily consisting of convolutional neural network (CNN) and Transformer architecture. To efficiently utilize covariance information, we propose a covariance information processing procedure and sophisticatedly design the covariance information processing network (CIPN) to further process it. Moreover, the feed-forward network (FFN) in CovNet is designed to jointly leverage the 2D characteristics of the CSI matrix in the angle and delay domains. Simulation results demonstrate that the proposed network effectively leverages covariance information and outperforms the state-of-the-art (SOTA) scheme across the full compression ratio (CR) range.

Memory-Augmented Agent Training for Business Document Understanding

Traditional enterprises face significant challenges in processing business documents, where tasks like extracting transport references from invoices remain largely manual despite their crucial role in logistics operations. While Large Language Models offer potential automation, their direct application to specialized business domains often yields unsatisfactory results. We introduce Matrix (Memory-Augmented agent Training through Reasoning and Iterative eXploration), a novel paradigm that enables LLM agents to progressively build domain expertise through experience-driven memory refinement and iterative learning. To validate this approach, we collaborate with one of the world's largest logistics companies to create a dataset of Universal Business Language format invoice documents, focusing on the task of transport reference extraction. Experiments demonstrate that Matrix outperforms prompting a single LLM by 30.3%, vanilla LLM agent by 35.2%. We further analyze the metrics of the optimized systems and observe that the agent system requires less API calls, fewer costs and can analyze longer documents on average. Our methods establish a new approach to transform general-purpose LLMs into specialized business tools through systematic memory enhancement in document processing tasks.

Verbalized Graph Representation Learning: A Fully Interpretable Graph Model Based on Large Language Models Throughout the Entire Process

Representation learning on text-attributed graphs (TAGs) has attracted significant interest due to its wide-ranging real-world applications, particularly through Graph Neural Networks (GNNs). Traditional GNN methods focus on encoding the structural information of graphs, often using shallow text embeddings for node or edge attributes. This limits the model to understand the rich semantic information in the data and its reasoning ability for complex downstream tasks, while also lacking interpretability. With the rise of large language models (LLMs), an increasing number of studies are combining them with GNNs for graph representation learning and downstream tasks. While these approaches effectively leverage the rich semantic information in TAGs datasets, their main drawback is that they are only partially interpretable, which limits their application in critical fields. In this paper, we propose a verbalized graph representation learning (VGRL) method which is fully interpretable. In contrast to traditional graph machine learning models, which are usually optimized within a continuous parameter space, VGRL constrains this parameter space to be text description which ensures complete interpretability throughout the entire process, making it easier for users to understand and trust the decisions of the model. We conduct several studies to empirically evaluate the effectiveness of VGRL and we believe these method can serve as a stepping stone in graph representation learning.

SE-SGformer: A Self-Explainable Signed Graph Transformer for Link Sign Prediction

Signed Graph Neural Networks (SGNNs) have been shown to be effective in analyzing complex patterns in real-world situations where positive and negative links coexist. However, SGNN models suffer from poor explainability, which limit their adoptions in critical scenarios that require understanding the rationale behind predictions. To the best of our knowledge, there is currently no research work on the explainability of the SGNN models. Our goal is to address the explainability of decision-making for the downstream task of link sign prediction specific to signed graph neural networks. Since post-hoc explanations are not derived directly from the models, they may be biased and misrepresent the true explanations. Therefore, in this paper we introduce a Self-Explainable Signed Graph transformer (SE-SGformer) framework, which can not only outputs explainable information while ensuring high prediction accuracy. Specifically, We propose a new Transformer architecture for signed graphs and theoretically demonstrate that using positional encoding based on signed random walks has greater expressive power than current SGNN methods and other positional encoding graph Transformer-based approaches. We constructs a novel explainable decision process by discovering the $K$-nearest (farthest) positive (negative) neighbors of a node to replace the neural network-based decoder for predicting edge signs. These $K$ positive (negative) neighbors represent crucial information about the formation of positive (negative) edges between nodes and thus can serve as important explanatory information in the decision-making process. We conducted experiments on several real-world datasets to validate the effectiveness of SE-SGformer, which outperforms the state-of-the-art methods by improving 2.2\% prediction accuracy and 73.1\% explainablity accuracy in the best-case scenario.

Adaptive In-conversation Team Building for Language Model Agents

Leveraging multiple large language model (LLM) agents has shown to be a promising approach for tackling complex tasks, while the effective design of multiple agents for a particular application remains an art. It is thus intriguing to answer a critical question: Given a task, how can we build a team of LLM agents to solve it effectively? Our new adaptive team-building paradigm offers a flexible solution, realized through a novel agent design named Captain Agent. It dynamically forms and manages teams for each step of a task-solving process, utilizing nested group conversations and reflection to ensure diverse expertise and prevent stereotypical outputs. It allows for a flexible yet structured approach to problem-solving and can help reduce redundancy and enhance output diversity. A comprehensive evaluation across six real-world scenarios demonstrates that Captain Agent significantly outperforms existing multi-agent methods with 21.94% improvement in average accuracy, providing outstanding performance without requiring task-specific prompt engineering.

Embodied LLM Agents Learn to Cooperate in Organized Teams

Large Language Models (LLMs) have emerged as integral tools for reasoning, planning, and decision-making, drawing upon their extensive world knowledge and proficiency in language-related tasks. LLMs thus hold tremendous potential for natural language interaction within multi-agent systems to foster cooperation. However, LLM agents tend to over-report and comply with any instruction, which may result in information redundancy and confusion in multi-agent cooperation. Inspired by human organizations, this paper introduces a framework that imposes prompt-based organization structures on LLM agents to mitigate these problems. Through a series of experiments with embodied LLM agents and human-agent collaboration, our results highlight the impact of designated leadership on team efficiency, shedding light on the leadership qualities displayed by LLM agents and their spontaneous cooperative behaviors. Further, we harness the potential of LLMs to propose enhanced organizational prompts, via a Criticize-Reflect process, resulting in novel organization structures that reduce communication costs and enhance team efficiency.

Training Language Model Agents without Modifying Language Models

Researchers and practitioners have recently reframed powerful Large Language Models (LLMs) as agents, enabling them to automate complex tasks largely via the use of specialized functions. To facilitate the development of LLM agents, we present a novel paradigm of training LLM agents without modifying the LLM weights, which is particularly useful when the LLMs are difficult or inaccessible for modifications. Inspired by how humans continuously forge tools to adapt to real-world tasks, rather than change our biological structure to fit a static set of tools, we propose to progressively forge agent's functions to better solve the downstream tasks instead of modifying the LLM weights. By treating the functions as learnable `agent parameters' and leveraging the fundamental idea of model training in artificial intelligence, we develop AgentOptimizer that employs the LLM to update agents' functions and devise an agent training algorithm with two strategies, roll-back, and early-stop, to streamline the training process. With extensive experiments, we showcase that the agent training paradigm could significantly improve the performance of representative LLM agents in various downstream tasks. We also study the behavior of the agent training regarding aspects like the learning curve and domain transferability.