跳到正文
研踪PaperTrail

论文库

检索计算机领域论文,按研究方向、作者或关键词筛选。

部分采集异常
正在读取账号与研究记录…

全站更新概况

+0新增论文
+0其中 AI 相关
+0已有论文修订
+98新增 AI 导读

arXiv 最近完成扫描:2026-11-15 23:30 · 全站最近入库:2026-11-14 15:09各信源进度 →

统计口径与数据新鲜度

统计 2026-11-15 00:06 — 2026-11-16 00:06(北京时间) · 点击数字查看对应简报;AI 相关包含在新增论文内。

最近完成检查:2026-11-15 23:30最近发现新增版本:2026-11-14 15:09库内论文最新更新时间:2026-11-13 02:59

每分钟刷新已保存的数据。空检查不代表采集异常;新收录可能包含历史论文。AI 导读按新增版本计数。

23,348 已收录论文19,580 AI 相关6,729 有修订112 HF 社区发现

浏览论文库

时间范围跟随排序:版本更新、本站收录或首次发表。最新收录可能包含历史论文。部分信源异常,查看状态 →

找到 2 篇论文 · 按版本更新时间排序上轮扫描起点 2026-11-15 23:27(北京时间)
新论文 · v1arXiv:2611.15049

Science Prediction Universe

Zengji Tu, Xiang Liu, Jiarui Sun, Ruoyu Wu, Zhihui Qi, Chengda Wu, Yutao Zhou, Bo Yang 等 36 位作者

原文摘要

Humanity has long sought to explain natural phenomena. Reliable prediction of experimental outcomes is a central test of our understanding of the processes that produce them. If artificial general intelligence (AGI) is to surpass human scientific capabilities, it must also predict experimental outcomes more reliably than humans. Such capabilities could accelerate scientific discovery across disciplines, help address humanity's most pressing challenges, and improve human well-being. We introduce Science Prediction Universe (SPU), a benchmark of hidden experimental outcomes with 100 public verified tasks from chemistry, materials science, biology and medicine, and 16 private tasks from unpublished wet-lab experiments. Given an experimental setup and candidate conditions, an agent works with any resources it needs to rank the candidates by a measured outcome. We evaluate thirteen agent configurations spanning twelve frontier models across two harnesses (Codex and Claude Code). Current agents remain far from saturating wet-lab outcome prediction, with substantial performance disparities across models: on the public benchmark, configurations separate into two distinct tiers, with task-adjusted Spearman correlations ranging from 0.227 for the lowest-performing configuration to 0.478 for the best. Analysis of 1,155 scored public trajectories (227,103 tool calls) suggests that the bottleneck lies in scientific judgment rather than tool execution: agents rely on shared monotone priors, agreeing far more with one another than with experimental reality (0.52 vs. 0.33), and frequently compute trivial physical or chemical proxies that do not influence the final outcome.

cs.AI · cs.CL

版本更新 · v2arXiv:2611.00942

EPIC: Differentiable Energy-Force Consistent Uncertainty Quantification and Propagation for Machine-Learned Interatomic Potentials

Tianhao Su, Musen Li, Shunbo Hu, Tong-Yi Zhang

原文摘要

Machine-learned interatomic potentials (MLIPs) now rival density functional theory in accuracy and are increasingly used to screen vast crystal databases, yet they can produce unreliable predictions for chemistries outside their training distribution without clear warning. Existing force-level evidential approaches do not inherently define a corresponding uncertainty model over the potential energy surface, limiting the consistent propagation of uncertainty to energy-derived observables. Here we introduce Energy-Propagated Intrinsic Confidence (EPIC), a general energy-centered evidential framework that derives forces as exact gradients of the predicted mean energy, ensuring conservative force fields while providing an analytical estimate of energy uncertainty. Coupled to a MACE backbone trained on the Materials Project trajectory dataset, EPIC propagates uncertainty diagnostics to equations of state, anisotropic structural uncertainty ellipsoids, and phonon dispersions through a Monte Carlo procedure. Applied to 10,966 candidate crystals, the fraction classified as robustly dynamically stable increases from 11\% in the highest-uncertainty quartile to 53\% in the lowest-uncertainty quartile. Furthermore, element-resolved analysis reveals a pronounced chemistry dependence in the relationship between epistemic uncertainty and predicted dynamical stability, highlighting potential limitations in the description of complex bonding environments. EPIC thus provides a physics-aware, chemistry-sensitive uncertainty diagnostic for high-throughput screening and autonomous materials discovery.

cs.CE