# Multi-Agent System Search via Active Substructure-aware Policy Optimization

arXiv: https://arxiv.org/abs/2609.32430 · HTML: https://mlsanity.com/paper/2609.32430/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Placed in Reinforcement learning for LLM agents, one of 16 directions in LLM agents and tool use.
- Builds on 48 of its 67 references that are in the map.
- First posted on arXiv 26 Sep 2026.

## Placed in

- LLM agents and tool use / [Reinforcement learning for LLM agents](https://mlsanity.com/agents/reinforcement-learning-for-llm-agents/)

## Builds on (most cited first, 30 of 48)

- [Proximal Policy Optimization Algorithms](https://mlsanity.com/paper/1707.06347/) (2017)
- [Chain-of-Thought Prompting Elicits Reasoning in Large Language Models](https://mlsanity.com/paper/2201.11903/) (2022)
- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Training Verifiers to Solve Math Word Problems](https://mlsanity.com/paper/2110.14168/) (2021)
- [Sentence-BERT: Sentence Embeddings using Siamese BERT-Networks](https://mlsanity.com/paper/1908.10084/) (2019)
- [Evaluating Large Language Models Trained on Code](https://mlsanity.com/paper/2107.03374/) (2021)
- [Self-Consistency Improves Chain of Thought Reasoning in Language Models](https://mlsanity.com/paper/2203.11171/) (2022)
- [Measuring Mathematical Problem Solving With the MATH Dataset](https://mlsanity.com/paper/2103.03874/) (2021)
- [Let's Verify Step by Step](https://mlsanity.com/paper/2305.20050/) (2023)
- [HotpotQA: A Dataset for Diverse, Explainable Multi-hop Question Answering](https://mlsanity.com/paper/1809.09600/) (2018)
- [Program Synthesis with Large Language Models](https://mlsanity.com/paper/2108.07732/) (2021)
- [Self-Refine: Iterative Refinement with Self-Feedback](https://mlsanity.com/paper/2303.17651/) (2023)
- [DAPO: An Open-Source LLM Reinforcement Learning System at Scale](https://mlsanity.com/paper/2503.14476/) (2025)
- [MMLU-Pro: A More Robust and Challenging Multi-Task Language Understanding Benchmark](https://mlsanity.com/paper/2406.01574/) (2024)
- [MetaGPT: Meta Programming for A Multi-Agent Collaborative Framework](https://mlsanity.com/paper/2308.00352/) (2023)
- [Improving Factuality and Reasoning in Language Models through Multiagent Debate](https://mlsanity.com/paper/2305.14325/) (2023)
- [MiniLM: Deep Self-Attention Distillation for Task-Agnostic Compression of Pre-Trained Transformers](https://mlsanity.com/paper/2002.10957/) (2020)
- [Is Your Code Generated by ChatGPT Really Correct? Rigorous Evaluation of Large Language Models for Code Generation](https://mlsanity.com/paper/2305.01210/) (2023)
- [Program of Thoughts Prompting: Disentangling Computation from Reasoning for Numerical Reasoning Tasks](https://mlsanity.com/paper/2211.12588/) (2022)
- [Counterfactual Multi-Agent Policy Gradients](https://mlsanity.com/paper/1705.08926/) (2017)
- [AgentVerse: Facilitating Multi-Agent Collaboration and Exploring Emergent Behaviors](https://mlsanity.com/paper/2308.10848/) (2023)
- [Plan-and-Solve Prompting: Improving Zero-Shot Chain-of-Thought Reasoning by Large Language Models](https://mlsanity.com/paper/2305.04091/) (2023)
- [AFlow: Automating Agentic Workflow Generation](https://mlsanity.com/paper/2410.10762/) (2024)
- [Automated Design of Agentic Systems](https://mlsanity.com/paper/2408.08435/) (2024)
- [A Dynamic LLM-Powered Agent Network for Task-Oriented Agent Collaboration](https://mlsanity.com/paper/2310.02170/) (2023)
- [Automatic Goal Generation for Reinforcement Learning Agents](https://mlsanity.com/paper/1705.06366/) (2017)
- [AutoAgents: A Framework for Automatic Agent Generation](https://mlsanity.com/paper/2309.17288/) (2023)
- [VinePPO: Refining Credit Assignment in RL Training of LLMs](https://mlsanity.com/paper/2410.01679/) (2024)
- [Multi-agent Architecture Search via Agentic Supernet](https://mlsanity.com/paper/2502.04180/) (2025)
- [ROSCOE: A Suite of Metrics for Scoring Step-by-Step Reasoning](https://mlsanity.com/paper/2212.07919/) (2022)

## Abstract (arXiv)

LLMs enable multi-agent systems (MAS) to tackle complex tasks, but manually designing agent roles, prompts, and communication structures requires substantial expertise and effort. This motivates learning policies that construct query-specific MAS from execution reward. Existing approaches typically train these policies by repeatedly traversing a fixed set of training queries and assigning rewards at the workflow level. However, this overlooks differences in queries' evolving learning potential and obscures which substructures improve solution quality. In this paper, we propose Active Substructure-aware Policy Optimization (ASPO), a RL framework for query-level MAS search. ASPO introduces an Adaptive Query-Selection Mechanism (AQSM) that focuses training on queries at the policy's competence boundary: those it can solve but not yet reliably. A complementary discovery mechanism widens architectural exploration for hard queries, helping distinguish insufficient exploration from operator capability limits. Beyond query selection, ASPO introduces substructure-level rewards that measure output-quality gains within each action's descendant subgraph. These rewards guide proximal policy optimization to reinforce useful architectural refinements and discourage redundant or harmful computation. Together, these mechanisms prioritize learnable queries and provide fine-grained feedback for learning effective MASs. Across six benchmarks spanning mathematical reasoning, general question answering, and code generation, ASPO ranks first on every benchmark against twelve baselines.