ReBeCA: Unveiling Interpretable Behavior Hierarchy behind the Iterative Self-Reflection of Language Models with Causal Analysis

While self-reflection can enhance language model reliability, its underlying mechanisms remain opaque, with existing analyses often yielding correlation-based insights that fail to generalize. To address this, we introduce \textbf{\texttt{ReBeCA}} (self-\textbf{\texttt{Re}}flection \textbf{\texttt{Be}}havior explained through \textbf{\texttt{C}}ausal \textbf{\texttt{A}}nalysis), a framework that unveils the interpretable behavioral hierarchy governing the self-reflection outcome. By modeling self-reflection trajectories as causal graphs, ReBeCA isolates genuine determinants of performance through a three-stage Invariant Causal Prediction (ICP) pipeline. We establish three critical findings: (1) \textbf{Behavioral hierarchy:} Semantic behaviors of the model influence final self-reflection results hierarchically: directly or indirectly; (2) \textbf{Causation matters:} Generalizability in self-reflection effects is limited to just a few semantic behaviors; (3) \textbf{More $\mathbf{\neq}$ better:} The confluence of seemingly positive semantic behaviors, even among direct causal factors, can impair the efficacy of self-reflection. ICP-based verification identifies sparse causal parents achieving up to $49.6\%$ structural likelihood gains, stable across tasks where correlation-based patterns fail. Intervention studies on novel datasets confirm these causal relationships hold out-of-distribution ($p = .013, η^2_\mathrm{p} = .071$). ReBeCA thus provides a rigorous methodology for disentangling genuine causal mechanisms from spurious associations in self-reflection dynamics.

Refining the Responses of LLMs by Themselves

In this paper, we propose a simple yet efficient approach based on prompt engineering that leverages the large language model itself to optimize its answers without relying on auxiliary models. We introduce an iterative self-evaluating optimization mechanism, with the potential for improved output quality as iterations progress, removing the need for manual intervention. The experiment's findings indicate that utilizing our response refinement framework on the GPT-3.5 model yields results that are on par with, or even surpass, those generated by the cutting-edge GPT-4 model. Detailed implementation strategies and illustrative examples are provided to demonstrate the superiority of our proposed solution.