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新论文 · v1arXiv:2611.09880

ZeoBench:面向三维沸石表示的自监督学习基准

ZeoBench: A Benchmark for Self-Supervised Learning on 3D Zeolite Representations

Aaron Sun, Yachan Liu, Ping Yang, Peng Bai, Subhransu Maji

AI 速读 基于摘要

作者提出 ZeoBench 基准,在低数据条件下系统比较多种三维沸石表示学习策略,并在六个吸附性质预测任务上评估。

cs.CV

查看原文摘要

Zeolites are an important class of porous crystalline materials with broad applications in gas storage, separations, and catalysis. Although hundreds of thousands of experimentally realized and hypothetical zeolite structures are known, identifying materials optimized for a target application remains challenging because property labels are expensive to obtain and available only for limited structure-molecule pairs. While prior work has demonstrated that 3D neural representations can predict zeolite properties effectively, it remains unclear which representation-learning strategies are most effective in the low-data regime relevant to materials discovery. We present ZeoBench, a benchmark for self-supervised learning on dense 3D representations of all-silica zeolites, and evaluate the resulting features on six existing downstream adsorption-property prediction tasks, across a range of training set sizes. Our study compares self-supervised 3D pretraining on volumetric zeolite data, adaptations of image-pretrained 2D ConvNets and vision transformers to 3D via multiview and channel-inflation strategies, and 3D ConvNets pretrained on out-of-domain volumetric datasets, alongside hand-crafted descriptors and supervised baselines. Using our pretraining and evaluation framework, we find self-supervised 3D representations outperform existing methods and achieve state-of-the-art performance across both in-domain label regimes and for the unseen domain of metal organic frameworks. Learned representations consistently outperform hand-crafted descriptors, and convolutional architectures are generally more effective than vision transformers in this setting. These results establish ZeoBench as a practical benchmark for 3D representation learning in zeolites and provide guidance for data-limited adsorption property prediction.

新论文 · v1arXiv:2611.08697

CPU Micro-Architectural Characteristic Sensitivity Study on CPU-Side Agentic Task Latency

Jack Adiletta, Shixin Ji, Zhuoping Yang, Peipei Zhou

原文摘要

We perform a novel study of CPU micro-architectural characteristics on how they affect agentic AI CPU side latency. Small enterprises and individual users looking to reduce costs and seeking data privacy benefit from running agents locally, motivating an investigation into the optimal performance characteristics of an edge CPU to improve user experience. We investigate the relationship between CPU core frequency, CPU uncore frequency, active physical cores, and symmetric multi threading with agentic task latency in single and multi agent configurations. Across eight experiments on an Intel edge CPU, we find that P-core frequency produces the largest median latency improvement among the evaluated parameters. Increasing P-core frequency from 2.5 to 5.5 GHz yields a 1.154$\times$ speedup for a single agent and a 1.341$\times$ speedup for eight concurrent agents. We are the first to characterize hardware micro-architectural relationships on single and multi agent configurations with TerminalBench; we also provide an open source framework and dataset for repeatable CPU side latency agentic benchmarking.

cs.DC · cs.AR

新论文 · v1arXiv:2610.39020

Distilling the Shape of Uncertainty: What On-Policy Distillation Learns and How to Predict It

Shiping Yang, Chuanqi Tang, Hossein Hajimirsadeghi, Layla El Asri, Mohammad Amin Shabani, Angel X. Chang

原文摘要

On-policy distillation (OPD) is increasingly adopted in the post-training of large language models. However, a stronger teacher may fail to improve the student. Prior work attributes this to a lack of new knowledge, but what that knowledge is remains unclear. We show that OPD learns not only \textit{how to branch}, i.e., which candidate tokens to consider, but also \textit{where to branch}, i.e., where to keep reasoning paths open. The existing token-overlap metric captures only the former. We introduce the entropy shape, the sequence of next-token entropies, to characterize the latter, and propose the Entropy Shape Correlation (ESC) to measure student-teacher agreement in entropy shape. Tracking ESC throughout training and intervening on a teacher's entropy while preserving its token preferences, we empirically show that \textit{where to branch} causally drives OPD gains, independently of \textit{how to branch}. Finally, we formulate OPD outcome prediction as a teacher selection task and establish an evaluation protocol for it, under which pre-OPD ESC selects the best teacher for both students and outperforms existing predictors. Code is available at https://github.com/maybenotime/opd-esc.

cs.CL · cs.AI

新论文 · v1arXiv:2610.36630

Uniformity Testing for the Monomer-Dimer Model

Joy Qiping Yang, Yuichi Yoshida

原文摘要

We study uniformity testing for the monomer-dimer model on a known graph $G=(V,E)$. Given samples from an unknown distribution $D_w(M)\propto \prod_{e\in M} w_e$ over matchings $M$ of $G$, we ask whether $D_w$ is the uniform distribution over all matchings of $G$ or is $\varepsilon$-far from it in total variation distance. Our main result is that, for every maximum-degree bound $Δ$, uniformity can be tested with $\widetilde O_Δ(\sqrt m/\varepsilon^2)$ samples, where $m=|E|$. We complement this with an information-theoretic lower bound for general graphs: for every pair of parameters $n\le m\le n^2$, there are graphs with $Θ(n)$ vertices and $Θ(m)$ edges on which every tester requires $Ω(\sqrt m/\varepsilon^2)$ samples. Thus, for bounded-degree graph families with $m=Θ(n)$, testing uniformity over the space of matchings has $\widetilde Θ(\sqrt n/\varepsilon^2)$ sample complexity, in contrast with the $Θ(n/\varepsilon^2)$ samples needed to estimate $D_w$ in total variation distance.

cs.DS · cs.DM

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-long.1545ACL Anthology · ACL 2026

Quantifying and Improving the Robustness of Retrieval-Augmented Language Models Against Spurious Features in Grounding Data

Shiping Yang, Jie Wu Atlassian Corporation, Wenbiao Ding Microsoft, Ning Wu, Shining Liang Microsoft, Ming Gong Atlassian Corporation, Hongzhi Li Tongji University, Hengyuan Zhang 等 10 位作者

原文摘要

Robustness has become a critical attribute for the deployment of RAG systems in real-world applications. Existing research focuses on robustness to explicit noise (e.g., document semantics) but overlooks implicit noise (spurious features). Moreover, previous studies on spurious features in LLMs are limited to specific types (e.g., formats) and narrow scenarios (e.g., ICL). In this work, we identify and study spurious features in the RAG paradigm, a robustness issue caused by the sensitivity of LLMs to semantic-agnostic features. We then propose a novel framework,SURE, to empirically quantify the robustness of RALMs against spurious features. Beyond providing a comprehensive taxonomy and metrics for evaluation, the framework’s data synthesis pipeline facilitates training-based strategies to improve robustness. Further analysis suggests that spurious features are a widespread and challenging problem in the field of RAG. Our code is available at https://anonymous.4open.science/r/RAG-SpuriousFeatures-62B3.

cs.CL

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

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-long.666ACL Anthology · ACL 2026

Find Your Optimal Teacher: Personalized Data Synthesis via Router-Guided Multi-Teacher Distillation

Hengyuan Zhang, Shiping Yang, Xiao Liang, Chenming Shang, Yuxuan Jiang University of Maryland, Baltimore County, Chaofan Tao The University of Hong Kong, Jing Xiong, Hayden Kwok-Hay So University of Hong Kong 等 11 位作者

原文摘要

Training student models on synthetic data generated by strong teacher models is a promising approach to distilling the capabilities of teachers. However, existing studies reveal that stronger models are not always optimal teachers, suggesting a mismatch between the teacher’s output and the student’s learning ability. To address this issue, we propose PerSyn (Personalized data Synthesis), a novel and efficient approach that customizes synthetic data to align with the learning capabilities of the student model. Specifically, our PerSyn method routes each prompt to its optimal teacher via a query-level router that jointly considers the student models’ learnability and teacher models’ response quality. It successfully transfers the synthesis paradigm from the conventional “Generate then Select” to a more efficient manner, i.e., “Route then Generate”, eliminating the need for all teacher models to generate parallel responses across the entire prompt set. Extensive experiments across different model families and scales demonstrate that PerSyn consistently outperforms all baselines on six benchmarks, including instruct tuning and math reasoning settings. Further analysis verifies the effectiveness of PerSyn and offers extra insights to propel future research. Our code is available at https://anonymous.4open.science/r/PerSyn-8D85.

cs.CL

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