Using Grounded Theory for Agent Behavior Analysis at Scale
Authors: Zhuoran Lu, Yangyang Yu, Zhuoyan Li, Yibo Meng, Nan Jiang, Chengxi Zang, Jie Gao, Ziang Xiao
Organizations: 1Purdue University · 2Stevens Institute of Technology · 3Cornell University · University of Texas at El Paso · 5Johns Hopkins University
Abstract
Understanding agent behavior requires methods that scale to thousands of trajectories and surface new patterns in long, often unfamiliar tasks where pre-built classifiers fall short. We propose to bring grounded theory into agent trajectory analysis: a six-decade-old qualitative method from the social sciences, with a principled saturation criterion and an auditable trail from data to theory. We propose AutoTraceGT (Automated Trace analysis through Grounded Theory), the first multi-agent pipeline that automates grounded theory on agent trajectories. It iteratively performs open, axial, and theoretical coding until saturation, producing a behavioral taxonomy tailored to each task. Across six trajectory corpora, AutoTraceGT produces codebooks that recover 73-91 percent of the failure modes in human-annotated taxonomies and surface additional patterns that those taxonomies miss. The emergent theoretical narrative aligns with prior expert accounts. Used as a deductive feature space, the codebook outperforms zero-shot and few-shot LLM baselines on downstream failure prediction. These results suggest Grounded Theory offers a scalable analytic tool for ML researchers and agent developers studying what agents actually do.
Autonomous agents such as Claude Code and Codex now operate for hours or even days. Understanding their runtime behavior has become critical for downstream tasks such as diagnosing inefficiencies, fixing bugs, and ensuring better oversight. A primary way to gain this understanding is analyzing the reasoning trajectories and execution traces these agents generate. Yet such data remains in unstructured natural-language form, making it difficult for humans to interpret at scale. We introduce ACTONOMY (a combination of Action and Taxonomy), a taxonomy for describing and analyzing agent behavior at runtime. ACTONOMY has two components: (1) the taxonomy itself, developed through Grounded Theory and structured as a three-level hierarchy of 10 actions, 46 subactions, and 120 leaf categories; and (2) an open repository that hosts the living taxonomy, provides an automated analysis pipeline that applies it to agent trajectories analysis, and defines an extension protocol for customization and growth. Our experiments show that ACTONOMY can compare behavioral profiles across agents and characterize a single agent's behavior across diverse trajectories, surfacing patterns indicative of failure modes. By providing a shared vocabulary, ACT*ONOMY helps researchers, agent designers, and end users interpret agent behavior more consistently, enabling better oversight and control.
AI agents often fail in ways that are difficult to localize because executions are probabilistic, long-horizon, multi-agent, and mediated by noisy tool outputs. We address this gap by manually annotating failed agent runs and release a novel benchmark of 170 trajectories across 11 diverse task settings, including structured API workflows, incident management, and open-ended web/file tasks. Each trajectory is annotated with a critical failure step and a category from a grounded-theory derived, cross-domain failure taxonomy. To mitigate the human cost of failure attribution, we present AgentRx, an automated diagnostic framework that pinpoints the critical failure step in a failed agent trajectory. It synthesizes constraints, evaluates them step-by-step, and produces an auditable validation log of constraint violations with associated evidence; an LLM-based judge uses this log to localize the critical step and category. AgentRx improves step localization by 75% on average over prior work, while providing failure category attribution.
Large language model (LLM) agents increasingly operate through long-horizon trajectories involving user instructions, tool use, external observations, and memory. Existing benchmarks primarily evaluate behavioral outcomes but provide limited support for fine-grained attribution analysis. We introduce trajectory attribution and develop a benchmark and annotation framework for this task. The benchmark organizes heterogeneous trajectories under a unified component schema and provides annotations of the primary attribution component, together with attack and execution chains where applicable. Instantiating the benchmark with trajectories from AgentDojo and the Stage and Canary settings of Agent3Sigma yields more than 1,300 annotated trajectories covering task-aligned actions, unsafe actions, and safety refusals. The benchmark defines two evaluation tasks, primary attribution localization and attribution-chain recovery, and provides reference baselines based on incremental trajectory contribution and component-level leave-one-out perturbation. It captures diverse attribution settings, including local and long-range attribution as well as structured attribution chains. Reference baseline results exhibit substantial performance differences across these settings, providing an initial characterization of the benchmark's attribution challenges. Beyond this initial instantiation, we release a reusable annotation skill that enables trajectories generated by new agent models to be standardized, annotated, and evaluated under the same framework. Project resources and future releases are available at https://github.com/chenjing-2024/agent-trajectory-attribution.