Publications

A collection of my research work.

CGU-Bayes: Causal Graph Uncertainty-Guided Bayesian Inference for Domain Generalization

CGU-Bayes: Causal Graph Uncertainty-Guided Bayesian Inference for Domain Generalization

Naiyu Yin, Hangjing Wang, Yue Yu, Tian Gao, Amit Dhurandhar, Chung-Hao Lee, Qiang Ji

IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR) 2026

A Bayesian framework leveraging causal graph uncertainty for robust domain generalization.

PaperVideoPoster
Scalable Circuit Learning for Interpreting Large Language Models

Scalable Circuit Learning for Interpreting Large Language Models

Naiyu Yin, Dennis Wei, Tian Gao, Amit Dhurandhar, Karthikeyan Natesan Ramamurthy, Yue Yu

Mechanistic Interpretability Workshop at ICML 2026

A scalable circuit learning method that uses sparse linear regression over sparse-autoencoder features to recover interpretable circuits, matching the structural accuracy of intervention-based methods at a fraction of the computational cost.

PaperPoster

Rational Sparse Autoencoder

Naiyu Yin, Yue Yu

Mechanistic Interpretability Workshop at ICML 2026

PaperPoster
Learning Causal Graphs at Scale: A Foundation Model Approach

Learning Causal Graphs at Scale: A Foundation Model Approach

Naiyu Yin, Tian Gao, Yue Yu

arXiv preprint 2025

A foundation model for causal discovery that uses an attention-based architecture (Attention-DAG) to learn multiple linear SEMs, enabling efficient zero-shot DAG inference with improved accuracy in small-sample regimes.

Paper
Fake It Till You Make It: Multi-Physics Synthesis Breaks the Data Barrier in Chemical Language Models

Fake It Till You Make It: Multi-Physics Synthesis Breaks the Data Barrier in Chemical Language Models

Naiyu Yin, Ning Liu, Brian Y. Lattimer, Jim Lua, Yue Yu

Machine Learning and the Physical Sciences Workshop at NeurIPS 2025

A physics-augmented chemical language model for polymer property prediction and targeted discovery.

CodePoster

Effective Causal Discovery under Identifiable Heteroscedastic Noise Model

Naiyu Yin, Tian Gao, Yue Yu, Qiang Ji

Proceedings of the AAAI Conference on Artificial Intelligence (AAAI) 2024

Novel iterative causal graph learning method handling heteroscedastic noise with proven identifiability conditions.

PaperCode
Integrating Markov Blanket Discovery into Causal Representation Learning for Domain Generalization

Integrating Markov Blanket Discovery into Causal Representation Learning for Domain Generalization

Naiyu Yin, Hanjing Wang, Yue Yu, Tian Gao, Amit Dhurandhar, Qiang Ji

European Conference on Computer Vision (ECCV) 2024

A unified framework combining causal discovery and representation learning for domain generalization via Markov blanket features.

Paper
Efficient Nonlinear DAG Learning Under Projection Framework

Efficient Nonlinear DAG Learning Under Projection Framework

Naiyu Yin, Yue Yu, Tian Gao, Qiang Ji

International Conference on Pattern Recognition (ICPR) 2024

Efficient causal graph learning via projection framework, eliminating explicit acyclicity constraints. Oral presentation, nominated for Best Industrial Paper Award.

PaperSlides

Causal Markov Blanket Representation Learning for Out-of-Distribution Generalization

Naiyu Yin, Hanjing Wang, Tian Gao, Amit Dhurandhar, Qiang Ji

Causal Representation Learning Workshop at NeurIPS 2023

Causal Markov blanket representation learning for OOD generalization.

Bayesian Approaches for Robust Constraint-Based Causal Discovery Under Insufficient Data

Zijun Cui, Naiyu Yin, Yuru Wang, Qiang Ji

Proceedings of the International Joint Conference on Artificial Intelligence (IJCAI) 2022

Bayesian methods for robust causal discovery under limited data settings.

Paper

DAGs with No Curl: An Efficient DAG Structure Learning Approach

Yue Yu, Tian Gao, Naiyu Yin, Qiang Ji

Proceedings of the International Conference on Machine Learning (ICML) 2021

An efficient DAG structure learning method using curl-free characterization of acyclicity.

PaperCode