arXiv:2606. 16133v1 Announce Type: cross Abstract: Inverse materials design starts from target functionality and searches for structures that can realize it.
Summary generated by The Flow from the publisher's feed. The full article lives at arXiv AI.
arXiv:2507. 14267v2 Announce Type: replace Abstract: Large language model (LLM) agents can execute long-horizon scientific workflows, but their numerical outputs are difficult to trust: agents lose context, game verification checks, and can produce large volumes of plausible yet invalid results.
arXiv:2606. 28578v1 Announce Type: cross Abstract: Closed-loop materials discovery iterates between proposing candidate structures and evaluating their properties, and property evaluation dominates the cost.
arXiv:2605. 26540v2 Announce Type: replace-cross Abstract: Energetic materials power mining, demolition, propulsion and airbags, yet today's compounds were designed decades ago.
arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem.
arXiv:2607. 12469v1 Announce Type: cross Abstract: Many agent-safety evaluation results are not yet load-bearing evidence: identical nominal outcomes (task success, attack success, monitor scores) may sit atop materially different evidence regimes.
arXiv:2607. 00871v1 Announce Type: new Abstract: Self-evolving agents violate the assumption behind most learning-theoretic guarantees: the data, evaluator, components, and hypothesis space are produced by the policy being updated.