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Main Authors: Bisht, Harshit, Kumar, Vinay, Jablonka, Kevin Maik, Mausam, Krishnan, N. M. Anoop
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2605.08956
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author Bisht, Harshit
Kumar, Vinay
Jablonka, Kevin Maik
Mausam
Krishnan, N. M. Anoop
author_facet Bisht, Harshit
Kumar, Vinay
Jablonka, Kevin Maik
Mausam
Krishnan, N. M. Anoop
contents A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists, agentic AI scientists are not built for autonomous scientific discovery. We identify the following challenges in building and deploying autonomous AI scientists: (1) Problem selection is influenced by the McNamara fallacy; (2) Agents are built on large language models (LLMs) whose training corpora omit tacit procedural and failure knowledge of laboratory practice; (3) Preference optimisation during post-training compresses output diversity toward consensus; and (4) Most scientific benchmarks measure single-turn prediction accuracy and lack feedback from physical experiments back to the computational model. These challenges are not just questions of scale and scaffolding; they require revisiting fundamental design choices. To build truly autonomous AI scientists, we recommend the use of scientific simulations as verifiers for training, the design of persistent world models that represent the shifting objectives governing real investigations, the establishment of a centralized preregistration repository for all AI-generated hypotheses, and application driven by scientific need rather than tool affordance.
format Preprint
id arxiv_https___arxiv_org_abs_2605_08956
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Agentic AI Scientists Are Not Built For Autonomous Scientific Discovery
Bisht, Harshit
Kumar, Vinay
Jablonka, Kevin Maik
Mausam
Krishnan, N. M. Anoop
Artificial Intelligence
A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists, agentic AI scientists are not built for autonomous scientific discovery. We identify the following challenges in building and deploying autonomous AI scientists: (1) Problem selection is influenced by the McNamara fallacy; (2) Agents are built on large language models (LLMs) whose training corpora omit tacit procedural and failure knowledge of laboratory practice; (3) Preference optimisation during post-training compresses output diversity toward consensus; and (4) Most scientific benchmarks measure single-turn prediction accuracy and lack feedback from physical experiments back to the computational model. These challenges are not just questions of scale and scaffolding; they require revisiting fundamental design choices. To build truly autonomous AI scientists, we recommend the use of scientific simulations as verifiers for training, the design of persistent world models that represent the shifting objectives governing real investigations, the establishment of a centralized preregistration repository for all AI-generated hypotheses, and application driven by scientific need rather than tool affordance.
title Agentic AI Scientists Are Not Built For Autonomous Scientific Discovery
topic Artificial Intelligence
url https://arxiv.org/abs/2605.08956