Towards a Unified Benchmark and Framework for Deep Learning-Based Prediction of Nuclear Magnetic Resonance Chemical Shifts

Posted by dbos Berkeley

Kavli Affiliate: Feng Wang | First 5 Authors: Fanjie Xu, Wentao Guo, Feng Wang, Lin Yao, Hongshuai Wang | Summary: The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships. Herein, we introduce NMRNet, a deep learning […]


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Adsorption of Guanidinium Cations to the Air-Water Interface

Posted by dbos Berkeley

Kavli Affiliate: David T. Limmer | First 5 Authors: Franky Bernal, Amro Dodin, Constantine Kyprianou, David T. Limmer, Richard J. Saykally | Summary: Combining Deep-UV second harmonic generation spectroscopy with molecular simulations, we confirm and quantify the specific adsorption of guanidinium cations to the air-water interface. Using a Langmuir analysis and measurements at multiple concentrations, […]


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Electron ptychography reveals a ferroelectricity dominated by anion displacements

Posted by dbos Cornell

Kavli Affiliate: David A. Muller | First 5 Authors: Harikrishnan K. P., Ruijuan Xu, Kinnary Patel, Kevin J. Crust, Aarushi Khandelwal | Summary: Sodium niobate, a lead-free ferroic material, hosts delicately-balanced, competing order parameters, including ferroelectric states that can be stabilized by epitaxial strain. Here, we show that the resulting macroscopic ferroelectricity exhibits an unconventional […]


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Simulation of atom trajectories in the original Stern-Gerlach experiment

Posted by dbos Caltech

Kavli Affiliate: Lihong V. Wang | First 5 Authors: Faraz Mostafaeipour, S. Suleyman Kahraman, Kelvin Titimbo, Yixuan Tan, Lihong V. Wang | Summary: Following a comprehensive analysis of the historical literature, we model the geometry of the Stern$unicode{x2013}$Gerlach experiment to numerically calculate the magnetic field using the finite-element method. Using this calculated field and Monte […]


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Enhancing Uplift Modeling in Multi-Treatment Marketing Campaigns: Leveraging Score Ranking and Calibration Techniques

Posted by dbos Berkeley

Kavli Affiliate: Ting Xu | First 5 Authors: Yoon Tae Park, Ting Xu, Mohamed Anany, , | Summary: Uplift modeling is essential for optimizing marketing strategies by selecting individuals likely to respond positively to specific marketing campaigns. This importance escalates in multi-treatment marketing campaigns, where diverse treatment is available and we may want to assign […]


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A Practical Introduction to Benchmarking and Characterization of Quantum Computers

Posted by dbos Berkeley

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: Akel Hashim, Long B. Nguyen, Noah Goss, Brian Marinelli, Ravi K. Naik | Summary: Rapid progress in quantum technology has transformed quantum computing and quantum information science from theoretical possibilities into tangible engineering challenges. Breakthroughs in quantum algorithms, quantum simulations, and quantum error correction are bringing useful […]


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E-Bench: Subjective-Aligned Benchmark Suite for Text-Driven Video Editing Quality Assessment

Posted by dbos Caltech

Kavli Affiliate: Wei Gao | First 5 Authors: Shangkun Sun, Xiaoyu Liang, Songlin Fan, Wenxu Gao, Wei Gao | Summary: Text-driven video editing has recently experienced rapid development. Despite this, evaluating edited videos remains a considerable challenge. Current metrics tend to fail to align with human perceptions, and effective quantitative metrics for video editing are […]


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VE-Bench: Subjective-Aligned Benchmark Suite for Text-Driven Video Editing Quality Assessment

Posted by Caltech

Kavli Affiliate: Wei Gao | First 5 Authors: Shangkun Sun, Xiaoyu Liang, Songlin Fan, Wenxu Gao, Wei Gao | Summary: Text-driven video editing has recently experienced rapid development. Despite this, evaluating edited videos remains a considerable challenge. Current metrics tend to fail to align with human perceptions, and effective quantitative metrics for video editing are […]


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Electron-Electron Interactions, Magnetism, and Superconductivity: Lecture Notes for Introduction to Solid State Physics

Posted by dbos Cornell

Kavli Affiliate: Daniel C. Ralph | First 5 Authors: Daniel C. Ralph, , , , | Summary: Lecture notes used as part of a graduate-level Introduction to Solid State Physics course at Cornell University. I attempt to unify and update the discussion of magnetism and superconductivity relative to standard textbook treatments, and include connections to […]


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Inverse model for network construction: (δ(G), I’ (G)) -> G

Posted by dbos Caltech

Kavli Affiliate: Wei Gao | First 5 Authors: Wei Gao, Yaojun Chen, Hainan Zhang, , | Summary: The isolated toughness variant is a salient parameter for measuring the vulnerability of networks, which is inherently related to fractional factors (used to characterize the feasibility of data transmission). The combination of minimum degree and the corresponding tight […]


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