Structure-Aware Temporal Modeling for Chronic Disease Progression Prediction

Kavli Affiliate: Ting Xu | First 5 Authors: Jiacheng Hu, Jiacheng Hu, , , | Summary: This study addresses the challenges of symptom evolution complexity and insufficient temporal dependency modeling in Parkinson’s disease progression prediction. It proposes a unified prediction framework that integrates structural perception and temporal modeling. The method leverages graph neural networks to […]


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Jahn-Teller-like Distortion in a One-dimensional π-Conjugated Polymer

Kavli Affiliate: Michael F. Crommie | First 5 Authors: Ziyi Wang, Ziyi Wang, , , | Summary: Structurally distorting low-dimensional pi-conjugated systems can profoundly influence their electronic properties, but controlling such behavior in extended-width systems remains challenging. Here we demonstrate that a one-dimensional conjugated polymer, poly-(difluorenoheptalene-ethynylene) (PDFHE), undergoes a pronounced out-of-plane backbone distortion, equivalent to […]


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Jahn-Teller-like Distortion in a One-dimensional π-Conjugated Polymer

Kavli Affiliate: Felix Fischer | Summary:Structurally distorting low-dimensional π-conjugated systems can profoundly influence their electronic properties, but controlling such behavior in extended-width systems remains challenging. Here we demonstrate that a one-dimensional conjugated polymer, poly-(difluorenoheptalene-ethynylene) (PDFHE), undergoes a pronounced out-of-plane backbone distortion, equivalent to a spontaneous symmetry breaking (SSB) of its mirror symmetry. We synthesized PDFHE […]


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Nonadiabatic force matching for alchemical free-energy estimation

Kavli Affiliate: David T. Limmer| First 5 Authors: Jorge L. Rosa-Raíces, Jorge L. Rosa-Raíces, , , | Summary:We propose a method to compute free-energy differences from nonadiabatic alchemical transformations using flow-based generative models. The method, nonadiabatic force matching, hinges on estimating the dissipation along an alchemical switching process in terms of a nonadiabatic force field […]


Continue.. Nonadiabatic force matching for alchemical free-energy estimation

Nonadiabatic force matching for alchemical free-energy estimation

Kavli Affiliate: David T. Limmer | Summary:We propose a method to compute free-energy differences from nonadiabatic alchemical transformations using flow-based generative models. The method, nonadiabatic force matching, hinges on estimating the dissipation along an alchemical switching process in terms of a nonadiabatic force field that can be learned through stochastic flow matching. The learned field […]


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Robust Live Streaming over LEO Satellite Constellations: Measurement, Analysis, and Handover-Aware Adaptation

Kavli Affiliate: Feng Wang | First 5 Authors: Hao Fang, Hao Fang, , , | Summary: Live streaming has experienced significant growth recently. Yet this rise in popularity contrasts with the reality that a substantial segment of the global population still lacks Internet access. The emergence of Low Earth orbit Satellite Networks (LSNs), such as […]


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From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

Kavli Affiliate: Xiang Zhang | First 5 Authors: Jiaqi Wei, Jiaqi Wei, , , | Summary: Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to […]


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Creative4U: MLLMs-based Advertising Creative Image Selector with Comparative Reasoning

Kavli Affiliate: Xiang Zhang | First 5 Authors: Yukang Lin, Yukang Lin, , , | Summary: Creative image in advertising is the heart and soul of e-commerce platform. An eye-catching creative image can enhance the shopping experience for users, boosting income for advertisers and advertising revenue for platforms. With the advent of AIGC technology, advertisers […]


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Structure-Adaptive Topology Optimization Framework for Photonic Band Gaps with TE-Polarized Sources

Kavli Affiliate: Feng Wang | First 5 Authors: Sukhad Dnyanesh Joshi, Sukhad Dnyanesh Joshi, , , | Summary: Leveraging our structure-adaptive topology optimization framework based on the integration of the photonic density of states over a frequency window for the TM polarization of light [see A. Bahulikar et al., arXiv:2411.09165 (2025)], we show that the […]


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Exploring the Equivalence of Closed-Set Generative and Real Data Augmentation in Image Classification

Kavli Affiliate: Xiang Zhang | First 5 Authors: Haowen Wang, Haowen Wang, , , | Summary: In this paper, we address a key scientific problem in machine learning: Given a training set for an image classification task, can we train a generative model on this dataset to enhance the classification performance? (i.e., closed-set generative data […]


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