Results 231 to 240 of about 1,549,528 (298)

Phylogenetic Network Models as Graphical Models. [PDF]

Bull Math Biol
Sullivant S.
europepmc   +1 more source

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

Advanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa, Tejs Vegge, Jes Frellsen   +2 more
wiley   +1 more source

Accelerating the Discovery of Proton Conducting Electrolytes via Machine Learning‐Enabled Literature Mining

Advanced Intelligent Discovery, EarlyView.
An end‐to‐end knowledge discovery framework is established to automate high‐precision property extraction from small, specialized literature corpora. Utilizing a domain‐specific bidirectional encoder representation from a transformer model and data augmentation, the system accurately extracts and structures electrolyte performance data, ultimately ...
Gaheun Shin, Seongho Lee, Seulchan Kim, Ho‐Il Ji, Joonhee Kang   +4 more
wiley   +1 more source

Grand-Canonical Typicality. [PDF]

J Stat Phys
Igelspacher C, Tumulka R, Vogel C.
europepmc   +1 more source

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

Advanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

A notes bivariate power law processes: conditional intensity and parameter estimation techniques^. [PDF]

MethodsX
Jaya AK, Sunusi N, Herdiani ET.
europepmc   +1 more source

A Generative AI Framework to Predict Cardiomyocyte Contraction Function From Single Static Images

Advanced Intelligent Discovery, EarlyView.
A single static hiPSC‐cardiomyocyte image is fed into a U‐Net‐GAN framework, which directly predicts a pixel‐resolved contraction heatmap without time‐lapse imaging. StyleGAN2‐generated synthetic cell–heatmap pairs augment training, improving prediction fidelity (SSIM = 0.84).
Andrew Kowalczewski, Chenyan Wang, Xinrui Wang, Huaxiao Yang, Zhao Qin, Zhen Ma   +5 more
wiley   +1 more source

Pseudo-Additive Tsallis Entropy and Non-Factorizing Joint Statistics in Product Sheffer Stroke Basic Algebras. [PDF]

Entropy (Basel)
Senturk I, Bilge M, Oner T.
europepmc   +1 more source

Physics‐Grounded Probabilistic Bits for Hardware‐Efficient Intelligent Inference and Optimization

Advanced Intelligent Systems, EarlyView.
Si–SiNx interface traps are harnessed as a complementary metal–oxide–semiconductor‐compatible source of controllable randomness for probabilistic bits. Pulse‐width‐programmed stochastic capture converts nanoscale defect dynamics into Boltzmann‐consistent binary outputs, while a physics‐based Simulation Program with Integrated Circuit Emphasis model ...
Dokyoung Lee, Jun‐Young Park, Joon‐Kyu Han, Sungho Kim   +3 more
wiley   +1 more source

Inverse-Probability-Weighted Wavelet Estimation of Regression Derivatives Under Missing-at-Random Responses for Stationary Ergodic Processes. [PDF]

Entropy (Basel)
Bouzebda S, Didi S.
europepmc   +1 more source