Results 121 to 130 of about 55,851 (263)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

On Free Generalized Inverse Gaussian Distributions

On Free Generalized Inverse Gaussian Distributions
We study here properties of free Generalized Inverse Gaussian distributions (fGIG) in free probability. We show that in many cases the fGIG shares similar properties with the classical GIG distribution. In particular we prove that fGIG is freely infinitely divisible, free regular and unimodal, and moreover we determine which distributions in this class
openaire  

The Brunn-Minkowski inequality for the generalized Gaussian distribution

Let $μ_p$ be the generalized Gaussian distribution on $\mathbb{R}^n$ with density $e^{-\frac{|x|^p}{p}}$ multiplied by a constant depending on $p\ge 1$ and $n$, and $α_p(n)$ be the largest number such that the Brunn-Minkowski type inequality $$μ_p(λK+(1-λ) L)^{α_p(n)} \geq λμ_p(K)^{α_p(n)}+(1-λ) μ_p(L)^{α_p(n)}$$ holds for all convex bodies $K,L$ in ...
Xiong, Ge, Yang, Kai-Wen
openaire   +2 more sources

Performance–Complexity Trade‐Offs in Battery Lifetime Prediction with Task‐Aware Transformers

Advanced Science, EarlyView.
FAST‐BatPro integrates convolutional feature extraction, flash Attention, and sparse attention for efficient battery lifetime prediction. Using limited early‐cycle data across multiple chemistries and operating conditions, it achieves robust accuracy while reducing inference latency, computational cost, and energy consumption.
Jingyuan Zhao, Misheng Cai, Zhenghong Wang, Yan Wang, Yuqi Li, Bo Dong, Hewu Wang, Andrew F. Burke, Simona Onori, Stephen J. Harris   +9 more
wiley   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

Advanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

Asymmetric Electrostrain/Electrobending in Piezoelectric Ceramics: Role of Defect Dipoles or Oxygen Vacancies

Advanced Science, EarlyView.
Defect‐configurational origins of the asymmetric apparent electrostrain are revealed in different piezoelectric ceramics via atomic‐scale visualization of defect configurations. Migration of oxygen vacancies leads to the electrobending effect in N2‐sintered BaTiO3, while defect dipoles in Ba0.99TiO2.99 generate true asymmetric electrostrain without ...
Jie Wang, Geng Huangfu, Hongjie Zhang, Tiannan Yang, Zhenhua Ma, Jingsheng Chen, Yun Liu, Yiping Guo   +7 more
wiley   +1 more source

Improving sampling efficacy on high-dimensional distributions with thin high-density regions using Conservative Hamiltonian Monte Carlo. [PDF]

PNAS Nexus
McGregor G, Wan ATS.
europepmc   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

parafields: A generator for distributed, stationary Gaussian processes

Journal of Open Source Software, 2023
Dominic Kempf, Ole Klein, Robert Kutri, Robert Scheichl, Peter Bastian   +4 more
openaire   +1 more source

Inhibitory Decay and Supercritical Brain Dynamics During Sleep Deprivation

Advanced Science, EarlyView.
Sleep deprivation progressively shifts human brain dynamics from near‐critical toward supercritical states, as revealed by neuronal avalanche analysis of resting‐state fMRI. These changes track subjective sleep pressure rather than vigilance lapses and show marked network heterogeneity. A circuit model suggests that reduced inhibitory efficacy provides
Dai Zhang, Liqin Zhou, Rong Wang, Yuehua Han, Zhentao Zuo, Yanghua Tian, Ke Zhou   +6 more
wiley   +1 more source