Discovering Efficient and Explainable Communication Topologies for LLM-based Multi-Agent Systems via Causal Inference

Large Language Models (LLMs) have enabled collaborative Multi-Agent (MA) systems, where interacting agents improve performance through diverse reasoning and iterative refinement. However, these systems remain vulnerable to error propagation, where early-stage information degrades downstream reasoning. To address this, we conduct a systematic analysis of inter-agent communication to identify which information drives MA performance. We find that the absence of reasoning and verification in inter-agent communication significantly degrades performance. Based on these insights, we propose Category-Aware Recovery Augmentation (technique), which enforces the presence of critical information during communication. recovers up to 86.2% of failed cases. Our results highlight the key role of information quality in effective MA collaboration. Our code is available at https://anonymous.4open.science/r/cara_mas

Practitioners deploying multi-agent large language model (LLM) systems must currently choose between communication topologies such as chain, star, mesh, and richer variants without any pre-inference diagnostic for which topology will amplify drift, converge to consensus, or remain robust under perturbation. Existing evaluation answers these questions only post hoc and only for the task measured. We introduce a structural diagnostic for multi-agent LLM communication graphs based on the successor representation $M = (I - γP)^{-1}$ of the row-stochastic communication operator, and we connect three of its spectral quantities, the spectral radius $ρ(M)$, the spectral gap $Δ(M)$, and the condition number $κ(M)$, to three distinct failure modes. We derive closed-form spectra for the chain, star, and mesh under row-stochastic normalization, and validate the predictions on a 12-step structured state-tracking task with Qwen2.5-7B-Instruct over 100 independent trials. The condition number is a perfect rank-order predictor of empirical perturbation robustness ($r_s = 1.0$); the spectral gap partially predicts consensus dynamics ($r_s = 0.5$); and the spectral radius is perfectly \emph{inverted} with respect to cumulative error ($r_s = -1.0$). We trace this inversion to a regime in which linear spectra are blind to non-contracting bias drift, and we propose an affine-noise extension of the predictive map that recovers the empirical ordering. We read this as a first step toward representational, drift-aware structural diagnostics for multi-agent LLM systems, sitting alongside classical spectral and consensus theory.

Large language model (LLM)-based multi-agent systems have shown strong potential for complex reasoning by coordinating specialized agents through structured communication. However, existing topology-evolution methods typically construct or optimize a collaboration topology for each query from scratch, leading to substantial online search overhead, high inference-time token consumption, and limited scalability in multi-domain settings. We propose TopoPrior, a framework for learning transferable topology priors for multi-agent LLM collaboration across domains. Rather than repeatedly searching for effective collaboration structures online, TopoPrior learns reusable topology priors from reference collaboration graphs collected offline from multiple domains and uses them to generate query-conditioned initial collaboration graphs for downstream refinement. By shifting part of topology search from per-query online optimization to offline prior learning, TopoPrior amortizes search cost while remaining compatible with existing topology-evolution backbones. Technically, TopoPrior contains two key components. First, a transferable topology prior learning module employs a conditional variational graph framework to capture reusable structural regularities across domains in a latent space. Second, a query-conditioned latent adaptation module introduces adversarial alignment to reduce unnecessary domain discrepancy while preserving query-relevant structural variation. Experiments on multi-domain reasoning benchmarks show that TopoPrior consistently improves several heterogeneous topology-evolution backbones while reducing online inference-time token usage, with only modest additional trainable parameters. These results suggest that transferable topology initialization is an effective and lightweight mechanism for improving the efficiency of multi-agent LLM collaboration across domains.