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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

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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

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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.

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-long.787ACL Anthology · ACL 2026

From Inheritance to Saturation: Disentangling the Evolution of Visual Redundancy for Architecture-Aware MLLM Inference Acceleration

Jiaqi Shi, Xulong Zhang Ping An Technology (Shenzhen) Co., Ltd., Yuechan Li Wuhan University, Xiaoyang Qu, Jianzong Wang Pingan Technology

原文摘要

High-resolution Multimodal Large Language Models (MLLMs) face prohibitive computational costs during inference due to the explosion of visual tokens. Existing acceleration strategies, such as token pruning or layer sparsity, suffer from severe “backbone dependency”, performing well on Vicuna or Mistral architectures (e.g., LLaVA) but causing significant performance degradation when transferred to architectures like Qwen. To address this, we leverage truncated matrix entropy to uncover a universal three-stage inference lifecycle, decoupling visual redundancy into universal Intrinsic Visual Redundancy (IVR) and architecture-dependent Secondary Saturation Redundancy (SSR). Guided by this insight, we propose HalfV, a framework that first mitigates IVR via a unified pruning strategy and then adaptively handles SSR based on its specific manifestation. Experiments demonstrate that HalfV achieves superior efficiency-performance trade-offs across diverse backbones. Notably, on Qwen25-VL, it retains 96.8% performance at a 4.1\times FLOPs speedup, significantly outperforming state-of-the-art baselines. Our code is available at https://github.com/civilizwa/HalfV.

cs.CL · cs.CV

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