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Yijia Xiao

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2 published item(s)

preprint2026arXiv

UniSD: Towards a Unified Self-Distillation Framework for Large Language Models

Self-distillation (SD) offers a promising path for adapting large language models (LLMs) without relying on stronger external teachers. However, SD in autoregressive LLMs remains challenging because self-generated trajectories are free-form, correctness is task-dependent, and plausible rationales can still provide unstable or unreliable supervision. Existing methods mainly examine isolated design choices, leaving their effectiveness, roles, and interactions unclear. In this paper, we propose UniSD, a unified framework to systematically study self-distillation. UniSD integrates complementary mechanisms that address supervision reliability, representation alignment, and training stability, including multi-teacher agreement, EMA teacher stabilization, token-level contrastive learning, feature matching, and divergence clipping. Across six benchmarks and six models from three model families, UniSD reveals when self-distillation improves over static imitation, which components drive the gains, and how these components interact across tasks. Guided by these insights, we construct UniSDfull, an integrated pipeline that combines complementary components and achieves the strongest overall performance, improving over the base model by +5.4 points and the strongest baseline by +2.8 points. Extensive evaluation highlights self-distillation as a practical and steerable approach for efficient LLM adaptation without stronger external teachers.

preprint2022arXiv

SPLDExtraTrees: Robust machine learning approach for predicting kinase inhibitor resistance

Drug resistance is a major threat to the global health and a significant concern throughout the clinical treatment of diseases and drug development. The mutation in proteins that is related to drug binding is a common cause for adaptive drug resistance. Therefore, quantitative estimations of how mutations would affect the interaction between a drug and the target protein would be of vital significance for the drug development and the clinical practice. Computational methods that rely on molecular dynamics simulations, Rosetta protocols, as well as machine learning methods have been proven to be capable of predicting ligand affinity changes upon protein mutation. However, the severely limited sample size and heavy noise induced overfitting and generalization issues have impeded wide adoption of machine learning for studying drug resistance. In this paper, we propose a robust machine learning method, termed SPLDExtraTrees, which can accurately predict ligand binding affinity changes upon protein mutation and identify resistance-causing mutations. Especially, the proposed method ranks training data following a specific scheme that starts with easy-to-learn samples and gradually incorporates harder and diverse samples into the training, and then iterates between sample weight recalculations and model updates. In addition, we calculate additional physics-based structural features to provide the machine learning model with the valuable domain knowledge on proteins for this data-limited predictive tasks. The experiments substantiate the capability of the proposed method for predicting kinase inhibitor resistance under three scenarios, and achieves predictive accuracy comparable to that of molecular dynamics and Rosetta methods with much less computational costs.