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Kehan Guo

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#artificial intelligence Preprint Sep 2026

SecProbe: Adaptive Evaluation of Coding Agents on Cybersecurity Vulnerabilities

SecProbe is introduced, a framework for adaptive evaluation that combines Item Response Theory (IRT) with on-demand synthesis of repository-scale vulnerability-repair tasks and achieves comparable agent ability estimates while requiring agents to solve up to 29.5\% fewer tasks.

Xiao-Nan Luo, Yue Huang, Ke-Han Guo et al. · 0 citations
Book Open access Aug 2026

From VAEs to Diffusion and LLMs: Modern Generative Models for Molecular Discovery

This tutorial provides a unified introduction to modern generative modeling approaches for molecular generation, covering their theoretical foundations, algorithmic design, and practical considerations for molecular representations such as 1D SMILES strings, 2D molecular graphs, and 3D structures.

Ke-Han Guo, Yili Shen, Jeehyun Hwang et al. · 0 citations
Book Open access Aug 2026

From VAEs to Diffusion and LLMs: Modern Generative Models for Molecular Discovery

This tutorial provides a unified introduction to modern generative modeling approaches for molecular generation, covering their theoretical foundations, algorithmic design, and practical considerations for molecular representations such as 1D SMILES strings, 2D molecular graphs, and 3D structures.

Kehan Guo, Yili Shen, Jeeyhun Hwang et al. · 0 citations
Jul 2026

Learning from Synthetic Data without Model Collapse in Iterative Instruction Tuning

KITE (Knowledge-boundary Instruction Tuning via Exploration), a two-stage framework that combines failure-guided data generation with boundary-aware uncertainty curation, is proposed, showing that KITE yields more stable improvement than strong synthetic-data baselines.

Xiaonan Luo, Yue Huang, Kehan Guo et al. · 1 citation

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