cs.LGOct 2, 2026

ULTRADISCOVERY: Abductive Exploration in an Interconnected, Epistemically Open Universe

Authors: Weihan Li, Tianshi Zheng, Yangqiu Song, Ginny Y. Wong, Simon See

Organizations: Department of Mechanical Engineering, The University of Tokyo, Tokyo, Japan · Department of Computer Science and Engineering, HKUST, Hong Kong SAR, China · NVIDIA AI Technology Center (NVAITC), NVIDIA, Santa Clara, USA

Abstract

Scientific discovery often begins when scattered clues call for a new way of describing the world. Such abductive exploration can require constructing the representation in which an explanation is stated, when the world is epistemically open, and composing evidence scattered across contexts, when it is structurally interconnected. Existing benchmarks rarely separate these two demands or control them independently. We introduce ULTRADISCOVERY, an interactive world of five domains in which an agent revises an initially successful theory and predicts the outcome of an unseen cross-domain intervention. A 2×22 \times 2 design leaves the representation open or discloses it, and leaves the evidence distributed or aligns it, with the latent dynamics fixed. With the representation open, agents across eleven models often retract the axiom they were taught, and none introduces the unobserved entity or rewrites the variables that a replacement requires. Disclosure triples intervention requests and adds about one of the eighteen findings the world affords, and alignment adds less. Two vendor-harness systems carry discovery into more domains, and one of them rewrites the variables in Open episodes. No system makes the exact prediction within 200 paid actions. At larger budgets one exact prediction appears with both aids, while every Open episode remains inexact. The results locate the difficulty in the step from accumulating evidence to composing it into a representation that transfers.

Figures & tables

Appendix figures & tables1 asset

Supplementary material from the paper’s appendix.

Appendix

Explore similar work

Oct 8, 2026

Open-ended Scientific Discovery with Possibilistic Reasoning

Autonomous scientific discovery with LLMs requires generating and testing hypotheses adaptively as evidence accumulates while maintaining statistical validity. Existing anytime-valid methods can handle data-dependent hypotheses, but open-ended discovery poses a deeper challenge: the best discovered hypothesis may still be the best of a bad lot, with better explanations yet undiscovered, while even background knowledge such as physical laws may require revision in light of new findings. In response, we formalize the problem as Abductive Autonomous Scientific Discovery (AASD) using possibility theory. We introduce abductive utility, a computable measure of discovery progress, and possibility frontier search, the first algorithm for AASD, which maintains anytime validity and achieves ε\varepsilon-optimal abductive utility asymptotically under suitable conditions. Experiments on synthetic and real-world scientific-discovery tasks show strong performance.
Jun 10, 2026

StatefulDiscovery: Evidence-Calibrated Claim Formation in Open-Ended Scientific Discovery

Open-ended scientific discovery asks agents to move beyond executing analyses for predefined questions. Across multiple rounds of exploration, a discovery agent must decide which phenomena warrant investigation while avoiding overinterpretation, where emerging claims exceed the evidential scope of the analyses. This creates an evidence-calibration problem: the exploration trajectory must be coupled with claim status so that evidence can guide both what to investigate next and what can be claimed. We introduce StatefulDiscovery, a discovery framework that externalizes investigation state and uses it to coordinate frontier selection, evidence acquisition, and claim adjudication. We evaluate StatefulDiscovery across 40 real-data discovery tasks. Compared with several baselines, StatefulDiscovery produces more claims overall judged to be both well-supported and high-value. Ablations indicate distinct roles for structured hypotheses, local adjudication, frontier control and persistent states. Together, these results suggest that explicit discovery state can couple exploration with evidence-calibrated claim formation. Our code is released at https://github.com/SUSTech-GenAI/StatefulDiscovery.git.
May 11, 2026

Epistemic Uncertainty for Test-Time Discovery

Automated scientific discovery using large language models relies on identifying genuinely novel solutions. Standard reinforcement learning penalizes high-variance mutations, which leads the policy to prioritize familiar patterns. As a result, the maximum reward plateaus even as the average reward increases. Overcoming this limitation requires a signal that distinguishes unexplored regions from intrinsically difficult problems. This necessitates measuring disagreement across independently adapted weight hypotheses rather than relying on a single network's confidence. UG-TTT addresses this challenge by maintaining a small ensemble of low-rank adapters over a frozen base model. The per-token disagreement, quantified as the mutual information between ensemble predictions and weight hypotheses, isolates epistemic uncertainty and identifies positions where insufficient coverage leads to adapter divergence rather than intrinsic problem difficulty. This measure is incorporated as an exploration bonus into the policy gradient, directing the policy toward positions where persistent adapter disagreement signals low training coverage, the same frontier where genuine discovery is possible. A nuclear norm regularizer ensures the adapters remain distinct from one another, thereby preserving the exploration signal throughout training. Across four scientific discovery benchmarks, UG-TTT increases the maximum reward on three tasks, maintains substantially higher solution diversity, and an ablation study confirms that the regularizer is essential for sustaining this behavior.