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Under review as a conference paper at ICLR 2027

EpisodeScope: Budget-Aware Evaluation of Diversity Corrections in Molecular Agents

Abstract

Reinforcement learning with verifiable rewards can reduce output diversity, and several corrections restore it within a rollout group or a selected batch. We ask whether local diversity improves discovery per oracle call when a multi-turn agent also controls its oracle spend. We introduce EpisodeScope, an evaluation protocol for multi-turn molecular agents under an unenforced oracle budget. It counts distinct molecules above a baseline-calibrated score threshold per charged call within a validation window and reports realised spend and coverage at common call counts. In four seed-matched Qwen3-4B pairs trained separately under the same per-step scoring cap, farthest-first selection raises within-episode fingerprint spread but lowers qualified discovery per call by – in every pair. Repeated evaluations concentrate on its first-position anchor. A registered, non-concurrent random-anchor control still trails uniform selection in all three same-machine pairs, and determinantal selection gives mixed results. On replayed candidate pools, avoiding already-scored molecules reduces repeats most consistently. Enabling the complete memory configuration raises discovery per call in all five prospectively specified pairs (median difference , one-sided sign test ), although one memory run spends calls per episode. At this operating point, higher local diversity need not improve qualified discovery per call.

open until 14 Dec 2026

est. 32% chance this paper gets accepted at ICLR 2027.

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