CV

PhD candidate developing Transformer and diffusion models, training-data pipelines, and reproducible evaluation systems.

Contact Information

Name Kai Ling
Professional Title CS PhD Candidate
Email ling59@purdue.edu

Professional Summary

Computer Science PhD candidate at Purdue University developing Transformer and diffusion models, training-data pipelines, and reproducible evaluation systems. Experienced in multi-node GPU training and memory optimization, with full-stack experience deploying a public research application.

Experience

  • 2026 - Present

    West Lafayette, IN

    Lead Developer — NuFold Multimer: Generative Modeling for RNA Complexes
    Kihara Lab, Purdue University
    • Extended a Transformer-based RNA structure model from single-chain to multi-chain prediction, integrating a diffusion module to generate multiple candidate 3D structures.
    • Built a data-curation and teacher-inference pipeline, running inference on approximately 20,000 RNA complexes; integrated multiple data sources, corrected inconsistent labels and identifiers, and applied confidence-based filtering for training.
    • Ran matched training ablations using 8 NVIDIA A100 80GB GPUs across 4 nodes to evaluate diffusion-decoder stability.
    • Enabled training crops of approximately 1,000 tokens by integrating NVIDIA cuEquivariance and a memory-efficient diffusion implementation.
    • Benchmarked AlphaFold3 and Boltz-2 on RNA complexes to compare prediction accuracy and characterize model limitations.
  • 2026 - 2026

    West Lafayette, IN

    Evaluation & Benchmarking — CryoASTRA: Cryo-EM Atomic Structure Modeling
    Kihara Lab, Purdue University
    • Built a Python/SLURM benchmarking pipeline for CryoASTRA and seven baselines across 103 test cases, with resumable execution, validated result caching, and input/code provenance tracking.
    • Standardized prediction-to-reference matching and coverage-aware metrics for incomplete outputs; implemented matched-target comparisons and bootstrap confidence intervals to quantify performance differences.
    • Evaluated five generated samples per input; benchmark results showed a mean TM-score of 0.972 and 92.5% atom-placement accuracy within 3 Å across 101 protein-containing targets, with a statistically significant TM-score gain of 0.117 over CryoAtom2.
  • 2024 - 2025

    West Lafayette, IN

    Lead Developer — Distance-AF Multimer: Constraint-Guided Protein Complex Modeling
    Kihara Lab, Purdue University
    • Implemented per-target test-time optimization to adapt pretrained model predictions to user-supplied geometric constraints without retraining the underlying model.
    • Designed a coarse-to-fine optimization strategy to improve convergence from inaccurate initial predictions and reduce structural artifacts.
    • Built a PyTorch optimization workflow supporting structures with 50,000+ atoms, parallelizing independent target optimizations across GPUs.
    • Evaluated on 27 challenging multimer targets, 8 peptide complexes, and 6 assemblies with 5+ chains; achieved lower RMSD than Chai-1, Protenix, and AlphaLink2 on 22/26, 19/27, and 26/27 benchmark targets, respectively, with up to 57.6 Å lower RMSD than AlphaFold-Multimer.
    • Conducted ablations across 11 complexes with 0–30 distance constraints and uncertainty of ±2.5 Å and ±5 Å; retained acceptable docking accuracy on 8/11 targets under both uncertainty settings.
    • First-author manuscript in preparation.
  • 2023 - 2024

    West Lafayette, IN

    Designer & Sole Developer — DAQ-Refine: Cryo-EM Protein Model Refinement Service
    Kihara Lab, Purdue University
    • Independently built and deployed a public React/Flask application with interactive Mol* visualization; integrated into EMSuite and used for approximately 10–20 refinement jobs per month.
    • Migrated a Colab workflow to lab infrastructure and automated SLURM job orchestration to run three refinement strategies per protein chain, select the best results, and assemble the final structure.
    • Developed reusable input-validation, early error-reporting, and progress-tracking components for integration with other EM-server algorithms.
    • Diagnosed recurring job failures reported by lab researchers and external users; added optional sequence alignment, specific input-error messages, and input-preparation documentation to help users resolve incompatible inputs.
  • -

    West Lafayette, IN

    Research Assistant
    MSSN Lab, Purdue University
    Advisor: Prof. Chunyi Peng
    • Independently developed the initial mperf platform using Django and Android for remote experiment control and automated cellular-network measurements; collected 705 hours of data comprising 4.6 million throughput samples across three U.S. carriers, supporting two published studies.
    • Redesigned MMMap’s database and visualization workflows for 32,000+ network cells and 18,700+ handoff events, achieving a 10× speedup in data analysis and display.
    • Collected and analyzed 45 hours of UAV network measurements over 1,010 km, using radio-access-network traces to compare airborne and ground-level throughput, latency, and mobility failures.
    • Applied lightweight formal analysis to 3GPP Release 17 IoT protocols, identifying four vulnerabilities and developing 12 proof-of-concept demonstrations.
  • 2020 - 2025

    West Lafayette, IN

    Teaching Assistant — CS536: Computer Networking
    Purdue University
    Selected semesters
    • Led office hours and debugging sessions, authored assignments and exam questions, and graded across multiple cohorts — explaining complex networking systems and protocols to students.

Education

  • 2019 - Present

    West Lafayette, IN

    PhD
    Purdue University
    Computer Science
    • Expected May 2027
    • Advisor: Prof. Daisuke Kihara
    • Master of Science in Computer Science, May 2025
  • 2015 - 2019

    Wuhan, China

    BS
    Huazhong University of Science and Technology (HUST)
    Computer Science and Technology
    • GPA: 3.8/4.0
    • National Scholarship (2/120)
    • Freshmen Scholarship (1/120)

Awards

  • 2017
    National Scholarship
    HUST

    Ranked 2/120

  • 2015
    Freshmen Scholarship
    HUST

    Ranked 1/120

  • 2017
    Model Student of Academic Records
    HUST

    Ranked 5/120

  • 2017
    Outstanding Student
    HUST

    Ranked 4/120

Skills

Programming Languages: Python, C++, Java, SQL, Bash
ML / DL: PyTorch, Transformers, diffusion models, distributed multi-GPU training, GPU inference, training with teacher-generated data, model evaluation, NVIDIA cuEquivariance
Infrastructure: Linux, HPC / SLURM, Docker, Git, CI/CD
LLM / GenAI: OpenAI and Anthropic APIs, RAG, FAISS, pgvector, function calling, agents
Application Development: React, Flask, Django, REST APIs, Mol*

Languages

Chinese : Native
English : Fluent

Interests

Piano: Classical music, Symphony Orchestra soloist at HUST