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Sunday, May 17, 2026

Evaluating progress of LLMs on scientific problem-solving


Programmatic and model-based evaluations

Duties in CURIE are diversified and have ground-truth annotations in blended and heterogeneous type, e.g., as JSONs, latex equations, YAML information, or free-form textual content. Evaluating free-form technology is difficult as a result of solutions are sometimes descriptive, and even when a format is specified, as in most of our instances, the response to every area can have differing varieties. For instance, supplies grid factors might typically be specified as “[p, q, r]” and at different instances as “p × q × r”. Therefore, along with the programmatic analysis metrics, comparable to ROUGE-L, intersection-over-inion (used for BIOGR), and id ratio (utilized in PDB), we suggest two model-based analysis metrics.

(1) LMScore: Prompts an LLM asking how intently the predictions match floor reality on a 3-point scale: “good” if the prediction has few minor errors, “okay” if there are lots of minor errors, and “dangerous” if there are main errors. We contemplate the weighted common of the log-likelihood scores of the tokens to provide a remaining confidence.

(2) LLMSim: Is used for retrieval duties the place we ask the mannequin to exhaustively extract many particulars, e.g., descriptors, properties and values of supplies from a analysis doc, and supply as output an unordered record of dictionaries or information. We use a chain-of-thought (CoT) immediate that asks the LLM to have a look at every ground-truth document and determine the anticipated information that accurately match every area (key) and worth of the bottom reality. As soon as we match the ground-truth information with predicted information, we are able to then measure precision and recall for the retrieval job, and compute the imply common precision, recall and F1 scores throughout all paperwork.

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