Designing crystal materials with desired physicochemical properties remains a fundamental challenge in materials science. While large language models (LLMs) have demonstrated strong in-context learning (ICL) capabilities, existing LLM-based crystal generation approaches are limited to zero-shot scenarios and are unable to benefit from few-shot scenarios. In contrast, human experts typically design new materials by modifying relevant known structures which aligns closely with the few-shot ICL paradigm. Motivated by this, we propose CrystalICL, a novel model designed for few-shot crystal generation. Specifically, we introduce a space-group based crystal tokenization method, which effectively reduces the complexity of modeling crystal symmetry in LLMs. We further introduce a condition-structure aware hybrid instruction tuning framework and a multi-task instruction tuning strategy, enabling the model to better exploit ICL by capturing structure-property relationships from limited data. Extensive experiments on four crystal generation benchmarks demonstrate the superiority of CrystalICL over the leading baseline methods on conditional and unconditional generation tasks.

Human-like social bias of pre-trained language models (PLMs) on downstream tasks have attracted increasing attention. The potential flaws in the training data are the main factor that causes unfairness in PLMs. Existing data-centric debiasing strategies mainly leverage explicit bias words (defined as sensitive attribute words specific to demographic groups) for counterfactual data augmentation to balance the training data. However, they lack consideration of implicit bias words potentially associated with explicit bias words in complex distribution data, which indirectly harms the fairness of PLMs. To this end, we propose a **Data**-Centric **Debias**ing method (named Data-Debias), which uses an explainability method to search for implicit bias words to assist in debiasing PLMs. Specifically, we compute the feature attributions of all tokens using the Integrated Gradients method, and then treat the tokens that have a large impact on the model’s decision as implicit bias words. To make the search results more precise, we iteratively train a biased model to amplify the bias with each iteration. Finally, we use the implicit bias words searched in the last iteration to assist in debiasing PLMs. Extensive experimental results on multiple PLMs debiasing on three different classification tasks demonstrate that Data-Debias achieves state-of-the-art debiasing performance and strong generalization while maintaining predictive abilities.

Although pre-trained language models (PLMs) have been widely used in natural language understandings (NLU), they are still exposed to fairness issues. Most existing extrinsic debiasing methods rely on manually curated word lists for each sensitive groups to modify training data or to add regular constraints. However, these word lists are often limited by length and scope, resulting in the degradation performance of extrinsic bias mitigation. To address the aforementioned issues, we propose a **C**ontinuous **P**rompts **A**djustment **D**ebiasing method (CPAD), which generates continuous token lists from the entire vocabulary space and uses them to bridge the gap between outputs and targets in fairness learning process. Specifically, CPAD encapsulates fine-tuning objective and debiasing objectives into several independent prompts. To avoid the limitation of manual word lists, in fairness learning phase, we extract outputs from the entire vocabulary space via fine-tuned PLM. Then, we aggregate the outputs from the same sensitive group as continuous token lists to map the outputs into protected attribute labels. Finally, after we learn the debiasing prompts in the perspective of adversarial learning, we improve fairness by adjusting continuous prompts at model inference time. Through extensive experiments on three NLU tasks, we evaluate the debiasing performance from the perspectives of group fairness and fairness through unawareness. The experimental results show that CPAD outperforms all baselines in term of single and two-attributes debiasing performance.