Machine Learning - Postdoctoral Researcher

LLNL • Livermore, CA

2d • Hybrid

About The Position

We're looking for a Machine Learning Postdoctoral Researcher to contribute to fundamental R&D in machine learning and statistical methods in support of different projects related to AI Safety & Security, Foundation Models in areas such as material science or bio assurance, and uncertainty quantification for deep learning models. These will be interdisciplinary projects that aim to combine state-of-the-art machine learning models with various science objectives. Examples are multi-modal sequence-to-sequence models for molecules and chemical reactions or combine large language models with other modalities. Furthermore, you will develop methods to improve safety and trustworthiness of these models. This position will be in the Machine Intelligence Group in the Center for Applied Scientific Computing (CASC) Division within the LLNL Computing Directorate. You will Research, design, implement, and apply advanced machine learning methods for multiple applications in a collaborative scientific environment. Actively participate with project scientists and engineers in defining, planning, and formulating experimental, modeling, and simulation efforts for complex problems stemming from national security applications. Propose and implement advanced analysis methodologies, collect and analyze data, and document results in technical reports and peer-reviewed publications. Contribute to grant proposals and collaborate with others in a multidisciplinary team environment, including academic and industrial partners, to accomplish research goals. Pursue independent (but complementary) research interests and interact with a broad spectrum of scientists internal and external to the Laboratory. Perform other duties as assigned.

Requirements

• Must be eligible to access the Laboratory in compliance with Section 3112 of the National Defense Authorization Act (NDAA). See Additional Information section below for details.
• Recent Ph.D. in Machine Learning, Optimization, Computer Science, Mathematics or a related field.
• Demonstrated ability and desire to obtain substantial domain knowledge in fields of application to enable effective communication with subject matter experts, and to identify novel, impactful applications of machine learning.
• Experience developing, implementing and applying advanced statistical or machine learning models and algorithms using modern software libraries such as PyTorch, TensorFlow, or similar as evidence through medium to large scale deep learning models and experiments.
• Demonstrated research productivity, as documented by publications, reports, presentations, and/or open-source software in relevant venues (NeurIPS, ICML, ICLR, CVPR, AAAI, AISTATS, UAI, KDD, JMLR, Nature etc.)
• Experience with scientific programming in the Python ecosystem as evidence through software artifacts, such as deep learning models, workflows, simulations, or similar
• Experience with one or more of the following areas of deep learning: large language models, graph neural networks, multimodal models, generative models, robustness, explainable AI

Nice To Haves

• Experience with high-performance computing, GPU programming, parallel programming, cloud computing, and/or related methods including running numerical simulations of complex workflows
• Demonstrated technical leadership in fields related to machine learning, such as mentorship or managing teams.
• Experience or interest in scientific applications, such as, material science, climate science, etc.

Responsibilities

• Research, design, implement, and apply advanced machine learning methods for multiple applications in a collaborative scientific environment.
• Actively participate with project scientists and engineers in defining, planning, and formulating experimental, modeling, and simulation efforts for complex problems stemming from national security applications.
• Propose and implement advanced analysis methodologies, collect and analyze data, and document results in technical reports and peer-reviewed publications.
• Contribute to grant proposals and collaborate with others in a multidisciplinary team environment, including academic and industrial partners, to accomplish research goals.
• Pursue independent (but complementary) research interests and interact with a broad spectrum of scientists internal and external to the Laboratory.
• Perform other duties as assigned.

Benefits

• Included in 2026 Best Places to Work by Glassdoor!
• Flexible Benefits Package
• 401(k)
• Relocation Assistance
• Education Reimbursement Program
• Flexible schedules (depending on project needs)

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree
• Number of Employees: 1,001-5,000 employees