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版本更新 · v6arXiv:2603.23101

SpecXMaster Technical Report

Yutang Ge, Yaning Cui, Hanzheng Li, Jun-Jie Wang, Fanjie Xu, Jinhan Dong, Yongqi Jin, Dongxu Cui 等 21 位作者

原文摘要

Intelligent spectroscopy serves as a pivotal element in AI-driven closed-loop scientific discovery, functioning as the critical bridge between matter structure and artificial intelligence. However, conventional expert-dependent spectral interpretation encounters substantial hurdles, including susceptibility to human bias and error, dependence on limited specialized expertise, and variability across interpreters. To address these challenges, we propose SpecXMaster, an intelligent framework leveraging Agentic Reinforcement Learning (RL) for NMR molecular spectral interpretation. SpecXMaster enables automated extraction of multiplicity information from both 1H and 13C spectra directly from raw FID (free induction decay) data. This end-to-end pipeline enables fully automated interpretation of NMR spectra into chemical structures. It demonstrates superior performance across multiple public NMR interpretation benchmarks and has been refined through iterative evaluations by professional chemical spectroscopists. We believe that SpecXMaster, as a novel methodological paradigm for spectral interpretation, will have a profound impact on the organic chemistry community.

cs.LG

新论文 · v1arXiv:2611.07228

Source-balanced Capped Fisher: Bounded Evidence Aggregation for User Inference in Language Models

Yang Liu, Ran Zou, Wanrong Zhu

原文摘要

User inference asks whether a source contributed documents to a language-model update, even when the auditor observes only fresh documents from that source. Document-level scores can provide evidence of participation, but combining this evidence is challenging: documents differ in baseline predictability and in how strongly they reflect information learned from other documents of the same source. We propose source-balanced capped Fisher (SCF), an aggregation method that uses known nonparticipating sources to assess how unusual each document score is. It transforms the resulting reference-tail frequencies into negative-log evidence, caps individual contributions, and averages them within each source. This limits the influence of isolated extreme scores while retaining evidence across multiple documents. We complete the inference procedure with a decision rule that tests source participation using a p-value calibrated against a separate set of known nonparticipating sources. The rule provides finite-sample Type-I error control under source exchangeability. Experiments across four real-world datasets show that SCF achieves the highest AUROC among the evaluated aggregation methods in four domains. With the calibration-based decision rule, SCF delivers consistently competitive detection power across the tested settings, achieving the highest power in many cases, while empirical false-positive rates remain generally close to or below the nominal levels.

cs.CL

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-long.952ACL Anthology · ACL 2026

Mem^2Evolve: Towards Self-Evolving Agents via Co-Evolutionary Capability Expansion and Experience Distillation

Zihao Cheng, Zeming Liu, Yingyu Shan, Xinyi Wang, Xiangrong Zhu, Yunpu Ma Ludwig-Maximilians-Universität München and Siemens Corporate Research, Hongru Wang, Yuhang Guo 等 10 位作者

原文摘要

While large language model–powered agents can self-evolve by accumulating experience or by dynamically creating new assets (i.e., tools or expert agents), existing frameworks typically treat these two evolutionary processes in isolation. This separation overlooks their intrinsic interdependence: the former is inherently bounded by a manually predefined static toolset, while the latter generates new assets from scratch without experiential guidance, leading to limited capability growth and unstable evolution. To address this limitation, we introduce a novel paradigm of co-evolutionary Capability Expansion and Experience Distillation. Guided by this paradigm, we propose the Mem^{\textbf{2}}Evolve, which integrates two core components: Experience Memory and Asset Memory. Specifically, Mem^{2}Evolve leverages accumulated experience to guide the dynamic creation of assets, thereby expanding the agent’s capability space while simultaneously acquiring new experience to achieve co-evolution. Extensive experiments across 6 task categories and 8 benchmarks demonstrate that Mem^{2}Evolve achieves improvement of 18.53% over standard LLMs, 11.80% over agents evolving solely through experience, and 6.46% over those evolving solely through asset creation, establishing it as a substantially more effective and stable self-evolving agent framework.

cs.CL

Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表