Michael Yao

B.S. Joint Computer Science & Mathematics · Harvey Mudd College

I am currently a machine learning engineering intern at Alkera AI (YC S26), where I train SQL data agents with execution-verified reinforcement learning. I also do research with Bilin Zhuang at Harvey Mudd on unsupervised learning for molecular systems and the mean-field theory of deep networks, and with Miquel Duran-Frigola at Ersilia on tabular foundation models for low-data molecular prediction.

Research interests: LLM post-training (RL) · Tool-use agents · AI for science · Mechanistic interpretability

Portrait of Michael Yao

Research Experience

Undergraduate Researcher

Advisor: Bilin Zhuang

Claremont, CA

Oct 2025 – Present

Zhuang Group — Harvey Mudd College

Unsupervised Machine Learning on Water Structure

GMM classification in (q, LSI, sₖ, ζ) order-parameter space · likelihood-ratio abstention · TIP4P/2005, TIP5P, SWM4-NDP MD · state-resolved S(k) [2]

Mean-Field Theory of Deep Neural Networks

Deep tanh networks · mean-field variance & correlation recursions · fixed point c* · order-to-chaos boundary χ₁ = 1 · width-1,000 simulations

Heatmaps of the neural-network fixed point and order-to-chaos boundary

ML Researcher

Advisor: Miquel Duran-Frigola

Remote

Apr 2026 – Present

Ersilia Open Source Initiative

Feature Selection for Tabular Foundation Models

TabPFN in-context learning · 77 few-shot tasks · RDKit, fingerprint & pharmacophore families · +3.5–5.3 ROC-AUC · assay selection · ADME/Tox leakage audit [1]

Radar chart of ROC-AUC gain over RDKit-11 for each molecular feature family at 16 and 128 labels

Industry Experience

Machine Learning Engineering Intern

San Francisco, CA

May 2026 – Present

Alkera AI (YC S26)

Execution-Verified Reinforcement Learning

  • Implemented multi-turn GRPO in verl for SQL pipeline synthesis and debugging with iterative tool execution
  • Scaled Qwen3.5 from 9B to 27B (8×A100 to 8×H100), raising the mean execution-graded score by 67% (0.18 to 0.30)
  • Bounded execution-verifier rewards with baseline and gold anchors to reward correct SQL outcomes over surface matches

Sandboxed Agent Infrastructure & Evaluation

  • Built a sandboxed 63-tool MCP gateway emulating 19 vendor platforms, integrating DuckDB, dbt, BI, Jira, and Slack
  • Designed 32 data-incident tasks with deterministic execution graders and tiered rewards; evaluated 483 agent rollouts
  • Patched sandbox-escape and root-credential exploits uncovered in agent rollouts to prevent execution-based reward hacking

R&D Data & Quality Systems Intern

Wuxi, China

Aug 2026 – Sep 2026

Fresenius Kabi

  • Built a Python and JavaScript ETL pipeline to automate quality-compliance audits across 665 documents, reconciling 222 SOP records against master databases and automatically repairing 189 broken cross-references

Projects

  • NullStep

    A null-step control, with model weights held fixed, that isolates dictionary-retraining noise in sparse-autoencoder feature-drift metrics across 112 TopK and JumpReLU SAEs on SFT and PPO checkpoints. With Cole Blodin (AWS).

  • LangAlpha

    A multi-agent financial research platform with real-time Server-Sent Events streams that expose agent reasoning and per-turn source-citation tracking that links research to its evidence.

  • SPEQTRO

    An autonomous agent that combines NMR, IR, and mass-spectrometry models into ranked molecular structures with traceable evidence.

Publications

  1. [1]

    Y. Yao, M. Duran-Frigola. Feature Selection for Tabular Foundation Models: Exploring Feature Utility in Low-Data Molecular Prediction. arXiv:2609.30789, 2026.

  2. [2]

    Y. Yao, D. Sanghi, A. D. Chokshi, et al. Is Water a Mixture: Unsupervised Likelihood-Ratio Classification Reveals Two Water States That Merge Upon Increasing Temperature. Under review, PNAS, 2026.

  3. [3]

    Y. Yao, C. Blodin, et al. A Null-Step Control for Sparse-Autoencoder Feature Drift Across Fine-Tuning Checkpoints. Manuscript, 2026.

Education

B.S. — Joint Computer Science & Mathematics

Claremont, CA

Expected May 2028

Harvey Mudd College

GPA: 3.90

Relevant coursework: Statistical Mechanics, Probability, Statistics, Differential Equations, Graph Theory

IB Diploma

Shanghai, China

2022 – 2025

Shanghai Qibao Dwight High School

Score: 44 / 45

Programs

May 2026 – Present

Break Through Tech AI — Cornell Tech

Southwestern Oklahoma State University

Weatherford, OK

Jun 2024 – Aug 2024

Summer Science Program (SSP)

Cross-bridged tetraazamacrocycle (Me₂B1#N₄) synthesis · Ni, Co, Cu complexes · Fenton-type dye-bleaching catalysis · NMR, UV-Vis, MS

Line illustration of Michael sleeping on a couch among cats