Graduate Intern - LLM Reliability and Uncertainty for AI Science Assistants

Posting Title

Graduate Intern - LLM Reliability and Uncertainty for AI Science Assistants

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Location

CO - Golden

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Position Type

Intern (Fixed Term)

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Hours Per Week

40

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Working at NLR

NLR is located at the foothills of the Rocky Mountains in Golden, Colorado is the nation's primary laboratory for energy systems research and development.

Join the National Laboratory of the Rockies (NLR), where world-class scientists, engineers, and experts are accelerating energy innovation through breakthrough research and systems integration. From our mission to our collaborative culture, NLR stands out in the research community for its commitment to an affordable and secure energy future. Spanning foundational science to applied systems engineering and analysis, we focus on solving complex challenges to deliver advanced, secure, reliable, and cost-effective energy solutions. Our work helps strengthen U.S. industries, support job creation, and promote national economic growth.

At NLR, you'll find a mission-driven environment supported by state-of-the-art facilities, multidisciplinary research teams, and strong collaborations with industry, academia, and other national laboratories. We offer robust professional development opportunities, and a competitive benefits package designed to support your career and well-being.

Job Description

The AI, Learning and Intelligent Systems group in the NLR Computational Science Center has an opening for a graduate student researcher in LLM Reliability and Uncertainty for AI Science Assistants. The researcher will investigate methods for quantifying uncertainty in LLM-based science assistants over multi-turn scientific dialogue, with an emphasis on flagging when a scientific question or task is underspecified or ill-posed. In practice, scientific questions can be vague, open-ended, or underdetermined. LLM-based assistants can quietly insert their own assumptions into such requests to fill the gap instead of raising concerns to their human counterpart. This internship will investigate if the assistant’s internal representations can be probed to detect these instances so they may be flagged for the user or used to trigger clarifying questions. We are looking for a dynamic, motivated researcher with a strong technical background and an interest in AI for science, uncertainty-aware machine learning, human-AI scientific workflows, and trustworthy AI. The successful candidate must be able to work at the intersection of machine learning research and practical AI system integration.

Responsibilities include:

• Research and evaluate uncertainty quantification and hallucination detection methods for multi-turn, agentic scientific workflows
• Develop probing methods that predict, from a model's internal representations, when a scientific task specification is incomplete or inconsistent and a clarifying question is warranted
• Build and instrument evaluation pipelines that capture and analyze model internal states over multi-turn scientific dialogue on HPC systems
• Conduct experiments and analyze model behavior across computational science domains and established benchmarks
• Contribute to technical documentation, research reports, publications, and presentations summarizing project progress and findings
• Develop, test, and maintain high-quality research code and evaluation pipelines

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Basic Qualifications

Minimum of a 3.0 cumulative grade point average.

Undergraduate: Must be enrolled as a full-time student in a bachelor’s degree program from an accredited institution.
Post Undergraduate: Earned a bachelor’s degree within the past 12 months. Eligible for an internship period of up to one year.

Graduate: Must be enrolled as a full-time student in a master’s degree program from an accredited institution.
Post Graduate: Earned a master’s degree within the past 12 months. Eligible for an internship period of up to one year.
Graduate + PhD: Completed master’s degree and enrolled as PhD student from an accredited institution.

Please Note:
• Applicants are responsible for uploading official or unofficial school transcripts, as part of the application process.
• If selected for position, a letter of recommendation will be required as part of the hiring process.
• Must meet educational requirements prior to employment start date.

* Must meet educational requirements prior to employment start date.

Additional Required Qualifications

• Familiarity with large language models, including agentic, tool-using, or multi-turn conversational LLM systems
• Experience developing or evaluating machine learning models for classification, uncertainty estimation, or related tasks
• Knowledge of probabilistic machine learning or uncertainty quantification concepts
• Hands-on experience with open-weight LLMs and modern deep learning frameworks
• Experience running Python code on HPC or multi-GPU systems
• Strong software engineering and debugging skills
• Ability to work independently while collaborating effectively in a multidisciplinary research environment

Preferred Qualifications

• Research experience related to hallucination detection, uncertainty quantification, interpretability, explainability, or trustworthy AI
• Familiarity with representation probing or mechanistic interpretability methods
• Experience with LLM benchmarking and evaluation, including multi-turn or conversational agent evaluation and LLM-as-a-judge protocols
• Experience with scientific question-answering systems, AI for science applications, or scientific agent frameworks
• Coursework or research background in a computational science domain (e.g., fluid mechanics, solid mechanics, materials science, or numerical methods for PDEs)

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Job Application Submission Window

The anticipated closing window for application submission is up to 30 days and may be extended as needed.

Annual Salary Range (based on full-time 40 hours per week)

Job Profile: / Annual Salary Range: $44,500 - $71,200

NLR takes into consideration a candidate’s education, training, and experience, expected quality and quantity of work, required travel (if any), external market and internal value, including seniority and merit systems, and internal pay alignment when determining the salary level for potential new employees. In compliance with the Colorado Equal Pay for Equal Work Act, a potential new employee’s salary history will not be used in compensation decisions.

Benefits Summary

Benefits include medical, dental, and vision insurance; 403(b) Employee Savings Plan with employer match*; and sick leave (where required by law). NLR employees may be eligible for, but are not guaranteed, performance-, merit-, and achievement- based awards that include a monetary component. Some positions may be eligible for relocation expense reimbursement. Internships projected to be less than 20 hours per week are not eligible for medical, dental, or vision benefits.

* Based on eligibility rules

Badging Requirement

NLR is subject to Department of Energy (DOE) access restrictions. All employees must also be able to obtain and maintain a federal Personal Identity Verification (PIV) card as required by Homeland Security Presidential Directive 12 (HSPD-12), which includes a favorable background investigation. Intern assignments extending beyond six months will be subject to this requirement.

Drug Free Workplace

NLR is committed to maintaining a drug-free workplace in accordance with the federal Drug-Free Workplace Act and complies with federal laws prohibiting the possession and use of illegal drugs. Under federal law, marijuana remains an illegal drug.

If you are offered employment at NLR, you must pass a pre-employment drug test prior to commencing employment. Unless prohibited by state or local law, the pre-employment drug test will include marijuana. If you test positive on the pre-employment drug test, your offer of employment may be withdrawn.

Submission Guidelines

Please note that in order to be considered an applicant for any position at NLR you must submit an application form for each position for which you believe you are qualified. Applications are not kept on file for future positions. Please include a cover letter and resume with each position application.

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Equal Opportunity Employer

All qualified applicants will receive consideration for employment without regard basis of age (40 and over), color, disability, gender identity, genetic information, marital status, domestic partner status, military or veteran status, national origin/ancestry, race, religion, creed, sex (including pregnancy, childbirth, breastfeeding), sexual orientation, and any other applicable status protected by federal, state, or local laws.

Reasonable Accommodations

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