Counterfactual examples are minimal edits to an input that alter a model’s prediction. They are widely employed in explainable AI to probe model behavior and in natural language processing (NLP) to augment training data. However, generating valid counterfactuals with large language models (LLMs) remains challenging, as existing single-pass methods often fail to induce reliable label changes, neglecting LLMs’ self-correction capabilities. To explore this untapped potential, we propose iFlip, an iterative refinement approach that leverages three types of feedback, including model confidence, feature attribution, and natural language. Our results show that iFlip achieves an average 57.8% higher validity than the three state-of-the-art baselines, as measured by the label flipping rate. The user study further corroborates that iFlip outperforms baselines in completeness, overall satisfaction, and feasibility. In addition, ablation studies demonstrate that three components are paramount for iFlip to generate valid counterfactuals: leveraging an appropriate number of iterations, pointing to highly attributed words, and early stopping. Finally, counterfactuals generated by iFlip enable effective counterfactual data augmentation, substantially improving model performance and robustness.

Self-generated counterfactual explanations (SCEs) are minimally modified inputs minimality generated by large language models (LLMs) that flip their own predictions validity, offering a causally grounded approach to unraveling black-box LLM behavior. Yet extending them beyond English remains challenging: existing methods struggle to produce valid SCEs in non-dominant languages, and a persistent trade-off between validity and minimality undermines explanation quality. We introduce Macro, a preference alignment framework that applies Direct Preference Optimization (DPO) to multilingual SCE generation, using a composite scoring function to construct preference pairs that effectively translate the trade-off into measurable preference signals. Experiments across four LLMs and seven typologically diverse languages show that Macro improves validity by 12.55% on average over the chain-of-thought baseline without degrading minimality, while avoiding the severe minimality violations of the translation-based baseline. Compared to supervised fine-tuning, Macro achieves superior performance on both metrics, confirming that explicit preference optimization is essential for balancing this trade-off. Further analyses reveal that Macro increases cross-lingual perturbation alignment and mitigates common generation errors. Our results highlight preference optimization as a promising direction for enhancing multilingual model explanations.