Results 61 to 70 of about 5,509 (159)

Fine‐tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm

Journal of Synchrotron Radiation, EarlyView.
A Bayesian optimization technique is used to tune the FEFF and FDMNES packages and to improve matching between theoretical and experimental spectra. The tests were performed on monometallic Ni, Fe and Pd K‐edge XANES spectra using several different spectrum similarity metrics.Theoretical modeling of X‐ray absorption near‐edge structure (XANES) spectra ...
Andrey A. Sapronov, Dmitry E. Doronkin, Jan-Dierk Grunwaldt   +2 more
wiley   +1 more source

EvolvED: Evolutionary Embeddings to Understand the Generation Process of Diffusion Models

Computer Graphics Forum, EarlyView.
EvolvED visualises how diffusion models generate images by embedding intermediate outputs to preserve semantics and evolutionary structure. It supports analysis via (a) user‐defined goals and prompts, (b) sampling intermediate images, (c) extracting relevant features, and (d) visualising them in structured radial and rectilinear layouts for ...
Vidya Prasad, Hans van Gorp, Christina Humer, Ruud J. G. van Sloun, Anna Vilanova, Nicola Pezzotti   +5 more
wiley   +1 more source

Auxin response and PIN‐mediated transport in chlorophyte algae

Journal of Integrative Plant Biology, EarlyView.
Like multicellular plants, green algae respond to auxin and move it across their cells. However, their PIN‐like proteins do not act like plant auxin exporters, suggesting that basic auxin transport evolved early and specialized directional transport appeared later in plant evolution.
Adrijana Smoljan, Sarah Koutnik‐Abele, Dmitrii Vladimirtsev, Petr Klíma, Anita Bírošíková, Yuzhou Zhang, Jack Merrin, Maximilian Schuster, Katarina Kurtović, Ulrich Z. Hammes, Jan Petrášek, Jiří Friml   +11 more
wiley   +1 more source

New sub-equation method to construct solitons and other solutions for perturbed nonlinear Schrödinger equation with Kerr law nonlinearity in optical fiber materials

Journal of Ocean Engineering and Science, 2019
In a previous work, Zayed and Al-Nowehy have applied the Riccati equation mapping method combined with the generalized extended (G′/G)-expansion method and found new exact solutions of the nonlinear KPP equation.
Elsayed M.E. Zayed, Abdul-Ghani Al-Nowehy, Reham M.A. Shohib   +2 more
doaj   +1 more source

Inverse problems for semilinear elliptic PDE with a general nonlinearity a(x,u)$a(x,u)$

Transactions of the London Mathematical Society, Volume 13, Issue 1, December 2026.
Abstract This article studies the inverse problem of recovering a nonlinearity in an elliptic equation Δu+a(x,u)=0$\Delta u + a(x,u) = 0$ from boundary measurements of solutions. Previous results based on first‐order linearization achieve this under a sign condition on ∂ua(x,u)$\partial _u a(x,u)$, and results based on higher order linearization ...
David Johansson, Janne Nurminen, Mikko Salo   +2 more
wiley   +1 more source

Three Types Generalized Zn-Heisenberg Ferromagnet Models

Advances in Mathematical Physics, 2020
By taking values in a commutative subalgebra gln,C, we construct a new generalized Zn-Heisenberg ferromagnet model in (1+1)-dimensions. The corresponding geometrical equivalence between the generalized Zn-Heisenberg ferromagnet model and Zn-mixed ...
Yinfei Zhou, Shuchao Wan, Yang Bai, Zhaowen Yan   +3 more
doaj   +1 more source

Denoising of ASL Data Using Deep Learning Priors Generated From Distribution Remapping

Magnetic Resonance in Medicine, Volume 96, Issue 4, Page 1972-1982, October 2026.
ABSTRACT Purpose To develop an effective deep learning (DL)–based method to denoise arterial spin labeling (ASL) data. Methods Conventional DL–based ASL denoising methods often suffer from overfitting and poor generalization when training data are limited.
Ziyang Xu, Rong Guo, Ziwen Ke, Yudu Li, Yibo Zhao, Wen Jin, Ruihao Liu, Ziyu Meng, Yao Li, Zhi‐Pei Liang   +9 more
wiley   +1 more source

Computationally Driven Advances in Cu‐CNT On‐Chip Interconnect Materials: From First Principles to Machine Learning

ENERGY &ENVIRONMENTAL MATERIALS, Volume 9, Issue 5, September 2026.
A multiscale framework integrating electronic, mechanical, and thermal analysis with machine learning to optimize carbon nanotube interconnects. As the component dimensions in integrated circuits shrink to extreme scales, the complexity of interconnect systems is increasing significantly, necessitating an urgent and comprehensive upgrade of ...
Changhong Zhang, Jie Liang, Yi Li, Zhenyu Wang, Haoyuan Li, Zhen Yuan, Jiuren Zhou, Rongmei Chen, Wensheng Zhao, Lei Zhang, Hanshen Xin, Jianhua Zhang   +11 more
wiley   +1 more source

HetCA/STOCSY‐Guided Dereplication of Artemisia arborescens Reveals Furofuran Lignans with Antileishmanial Effects

ChemMedChem, Volume 21, Issue 15, 14 August 2026.
Bioactive metabolites can remain hidden in negligible activity extracts. A statistical spectroscopy–driven dereplication workflow integrating the HeteroCovariance Approach (HetCA) and Statistical Total Correlation Spectroscopy (STOCSY) prioritized furofuran lignans in Artemisia arborescens, identifying three compounds with moderate antileishmanial ...
Olga Karoutzou, Stavros Beteinakis, Olga Koutsoni, Despina Smirlis, Maria Halabalaki, Leandros Alexios Skaltsounis, Emmanuel Mikros   +6 more
wiley   +1 more source

Integrating Coupled‐Cluster Theory Within AI Workflows for Accurate Molecular Geometries

Journal of Computational Chemistry, Volume 47, Issue 21, August 5, 2026.
The Λ$$ \Lambda $$DDCC framework accelerates CCSD geometry optimizations by replacing expensive, iterative solvers with neural network predictions of wavefunction amplitudes. By utilizing a physically grounded MO representation, this method accurately recovers CC parameters to yield reliable nuclear gradients.
Shahzad Akram, Konstantinos D. Vogiatzis
wiley   +1 more source