Effective and Efficient Evaluation for AI Scientists

What to measure, how to measure it, and how good the instrument is

An AAAI-27 workshop on how to evaluate autonomous systems that generate hypotheses, run experiments, and produce scientific claims.

Conference
41st AAAI Conference on Artificial Intelligence
Date
Venue
Palais des Congrès de Montréal Montréal, Canada
Submission deadline
Official listing
AAAI-27 workshop program

Why this workshop?

Science is being automated. The methods used to evaluate it have not kept pace.

Autonomous research systems can generate hypotheses, design experiments, run code, and draft papers. The community lacks reliable benchmarks, verification protocols, and agreed measures of what these systems can and cannot do, so genuine advances are hard to separate from findings that are plausible-sounding and incorrect.

Benchmarks for research agents have moved quickly. AstaBench spans more than 2,400 problems across literature work, coding, data analysis, and end-to-end discovery, and ranks 57 agents on a cost-normalized leaderboard. PaperBench scores replication against rubrics written with the original authors, while MLR-Bench and MLAgentBench score stages of the machine learning research cycle. Each of them measures a system.

Each of those measurements also comes from an instrument, and the accuracy of the instrument is established against human agreement. AstaBench scores end-to-end discovery with an LLM judge reading an auto-generated rubric, checks a judge against expert ranking on one of its ten subsets at a Kendall τ of 0.467, and finds that a system left out of the rubric's construction scores lower on identical work. Its authors record that last result as an open question. This workshop is where that question is asked, of benchmarks, rubrics, and judges alike, so that a reported gap between two systems can be attributed to the systems.

This workshop brings together researchers in LLM and agentic AI, benchmark and evaluation methodology, statistics, AI for Science across chemistry, biology, physics, and materials, the metascience and peer-review community, and industry practitioners in AI-driven discovery. We organize the program by the level at which the measurement question sits, so the three areas below partition the problem.

Topics of interest

We welcome technical, empirical, methodological, and position papers, including work that critiques current systems and evaluation practice.

What to measure

Which constructs, and against what ground truth?

  • Operational definitions of novelty, correctness, rigor, and significance, and their construct validity
  • Ground truth stronger than reviewer opinion, such as held-out empirical outcomes and laboratory confirmation
  • Process-level evaluation from agent execution traces

How to measure it

How is the instrument built?

  • End-to-end and stage-wise benchmarks for research agents
  • Contamination and leakage, and tasks that stay valid after training exposure
  • LLM-as-a-judge reliability, calibration, and adversarial robustness, with cost-normalized reporting

How good is the instrument

How would we know the measurement holds?

  • Reliability against validity of evaluation scores
  • Statistical power and minimum detectable effect
  • Sample-efficient evaluation through adaptive item selection, item response theory, best-arm identification, and off-policy reuse of prior judgments
  • Sensitivity of rankings to judge, prompt, and rubric

Also in scope, expert elicitation treated as an instrument with its own error model, reproducibility infrastructure such as execution traces, seeds, and cost logs, hazard and dual-use assessment for autonomous research in chemistry and biology, and Goodharting once a metric becomes a target.

AI Scientist Evaluation Challenge

A shared task for building research systems—and the methods used to judge them.

Organized with XtalPi, the challenge will use a real-world molecular property prediction or drug–target interaction dataset. An expert-annotated corpus of AI-generated papers is planned for public release.

A seed corpus of 60 machine-generated manuscripts, produced in advance by the organizers using four public systems, is released on 2 October 2026. Each carries three independent expert scores on a published rubric with reported inter-rater reliability, so the achievable agreement ceiling for any evaluator is public. The evaluation track does not depend on the generation track, and an evaluator can be entered against the corpus alone.

The released corpus ships with execution traces, cost logs, multi-judge automated scores, and blind held-out validation outcomes, under CC BY 4.0 and Apache 2.0 on Hugging Face and Zenodo with a DOI, versioned and maintained for at least 24 months. It carries canary strings and a contamination-check protocol, and reserves a permanently unreleased holdout for future rounds. The scoring harness, including the adversarial robustness suite, is open source, so later work can reproduce the rankings and attack them.

Results are verified before notification, so the challenge session presents finalised results and no computation runs live. All data, tasks, and code reach every entrant on the same date. Organizers, their students, and employees of the data-contributing partner may enter, are ineligible for prizes, and never score their own track.

Generation track

Produce a research report

Run an AI Scientist system on the shared dataset and submit a report with its execution trace, seeds, code, and cost log. Reports are scored on expert review, automated review, and whether their empirical claims hold on a blind held-out split released only after the deadline. A reference open-weights baseline keeps entry from being gated on budget.

Evaluation track

Assess AI-generated papers

Submit an evaluator, whether a metric, rubric, judge pipeline, or verification tool, and run it over the corpus. Entries are ranked primarily on the AUROC for identifying which reports contain claims that fail blind validation, reported with per-report cost and with performance under a fixed adversarial rewrite suite. Agreement with expert review is a secondary diagnostic. Ranking on held-out outcomes breaks the circularity of scoring an evaluator against the same human signal this workshop treats as unreliable, which is what makes evaluator quality identifiable and not merely correlational.

Challenge entrants who cannot travel may still compete and appear on the leaderboard, and only in-person entrants receive an oral slot.

Challenge entrants who submit a system description are invited as co-authors on the joint overview paper.

Call for papers

Submissions should directly address the evaluation of autonomous scientific discovery.

Papers must use the official AAAI-27 two-column author kit and be submitted as an anonymized PDF through OpenReview. Submissions that compare systems must report at matched compute and token budget, or explain why matching is infeasible. Optional early submission opens ahead of the deadline, so reviewing proceeds on a rolling basis.

Full papers 6–8 pages

Original research on evaluation methodology, benchmarking, or verification. References do not count toward the page limit.

Position papers 2–4 pages

Perspectives, critiques, and emerging research directions.

Resource and artifact papers 2–4 pages

A released benchmark, harness, corpus, or tool, submitted together with the artifact. Reviewed on whether the artifact runs and is documented.

Reproduction and negative result reports 2–4 pages

Attempts to reproduce published AI Scientist results, including failures. No novelty bar, judged on rigor of reporting.

Important dates

The submission deadline is 06:00 UTC, when the OpenReview portal closes. Other deadlines are 23:59 Anywhere on Earth, meaning UTC−12.

  1. Seed corpus and challenge data release
  2. Submissions open on OpenReview
  3. Submission deadline
  4. Acceptance notification
  5. Camera-ready versions due
  6. AAAI-27 workshop

Program

TBD

Speakers

Irina Rish

Université de Montréal and Mila

Evaluation that stays reliable under distribution shift.

Xiaowu Dai

University of California, Los Angeles

Uncertainty quantification for machine learning and mechanism design for LLMs.

Zhijing Jin

University of Toronto

Causal reasoning with LLMs, from benchmarks to AI scientists.

Hongtu Zhu

University of North Carolina at Chapel Hill

Evaluation methodology and validity, drawing on statistics and biomedical data science.

Yifan Hu

Rutgers University

Decision-making under uncertainty and budget-constrained test-time compute for LLMs.

Phoenix Peng

Gestala

Ultrasound brain-computer interfaces and the convergence of neuroscience and AI.

Organizing committee

The committee combines expertise in agentic systems, evaluation metrology, causal and decision learning, and benchmark design.

Primary contact

Tianyu Shi

McGill University

Auditable, budget-aware evaluation of agentic systems, through the CARE and DynaWeb projects

Co-organized MemAgent at ICLR 2025, Physical Understanding at NeurIPS 2026, and Agentic Robotics at CoRL 2026. Maintains the released corpus for at least 24 months

tianyu.shi3@mcgill.ca
Organizer

Bang Liu

Université de Montréal · Mila

Builds the scientific agent workflows this workshop measures, through AFlow, Data Interpreter and HoneyComb

Area Chair at NeurIPS, ICLR, ACL, EMNLP, NAACL and IJCAI, and Action Editor for Neural Networks. Based in Montréal for on-site delivery

bang.liu@umontreal.ca
Organizer

Fan Zhou

School of Statistics and Data Science, Shanghai University of Finance and Economics

Statistical metrology of evaluation, the tier that asks how good the instrument is. Released the StatEval, StatProver and DataSciEval benchmarks with their leaderboard infrastructure

Area Chair for the NeurIPS 2026 Evaluations and Datasets Track. Organized the International Workshop on From Statistics to Artificial Intelligence, which has drawn more than 2,000 participants

zhoufan@mail.shufe.edu.cn
Organizer

Perouz Taslakian

ServiceNow AI Research · McGill University · Mila

Builds benchmarks for agentic systems, including InsightBench for multi-step analytics agents, and works on relational reasoning and causal discovery

Organized the Bellairs Workshop on Causality in 2023 and 2024, and GroundedML at ICLR 2022

perouz.taslakian@mcgill.ca
Organizer

Samira Ebrahimi Kahou

Schulich School of Engineering, University of Calgary

Robustness and generalization, which decide whether an evaluation still holds under distribution shift, with explainability and efficient learning

Leads the Transdisciplinary AI Hub and holds the Schulich Research Chair in XAI. Member of Mila

samira.ebrahimikahou@ucalgary.ca

Senior advisor

Advising on workshop positioning, program design, and the evaluation, benchmarking, and verification frameworks the workshop develops.

Hongtu Zhu

University of North Carolina at Chapel Hill

Statistics, machine learning, and biomedical data science, with sustained work on AI and statistical methods in biomedical studies.

Editor of the Journal of the American Statistical Association, Applications and Case Studies. IEEE Fellow and ASA Fellow.

Supporting team

Delivery of the workshop, its outreach, and its public materials.

Aaron Tian

Toyota

Publicity chair

Peiyu Zhang

Chief Scientific Officer, XtalPi

Challenge sponsorship

Steve Drew

Associate Professor, University of Calgary

Challenge infrastructure. Runs the scoring harness and leaderboard for the evaluation challenge.

Cloud and edge AI systems, federated learning and privacy-preserving machine learning.

Haolun Wu

Mila, Quebec AI Institute

Local arrangements. Handles on-site logistics and speaker and participant communications.

Trustworthy AI and the evaluation of agentic systems.

Yunkai Bao

PhD Candidate, University of Calgary

Web chair. Builds and maintains the workshop website, its design, accessibility, and program pages.

Meijia Chen

PhD Candidate, Rutgers University

Speaker outreach. Handles speaker invitations and prepares the workshop poster and social-media announcements.

Self-evolving agents, on-policy distillation, and the reliability of LLM judges.

Jiajun Wu

PhD Candidate, University of Calgary

Submissions and review. Supports workshop organization, coordinates the submission and peer-review process, and assists with reviewer recruitment and assignments.

Federated learning, agentic AI, and edge IoT.

Zhenyu (Zach) Wang

PhD Candidate, Rutgers University

Coordination of workshop activities.

Efficient LLM post-training, adaptive test-time computation, and the theoretical foundations of reliable and resource-efficient AI.

Questions?

Submissions are open on OpenReview. Challenge links will be added when available.

Contact the organizers