Results 191 to 200 of about 7,343,069 (347)

A Generative Neuro‐Symbolic AI for Protein Sequence Design

open access: yesAdvanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne   +12 more
wiley   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

open access: yesAdvanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen   +5 more
wiley   +1 more source

Integration of Reconfigurable p‐Bit and 1R Crossbar Array for Memristive Probabilistic Computing

open access: yesAdvanced Science, EarlyView.
A memristive probabilistic computing system is demonstrated by integrating stochastic p‐bits based on volatile memristors with a 1R crossbar array encoding interaction weights. The system performs weighted‐sum operations across the array and updates p‐bits iteratively.
Keunho Soh   +7 more
wiley   +1 more source

Bayesian inference in probabilistic graphical models.

open access: yes, 2017
This thesis consists of four papers studying structure learning and Bayesian inference in probabilistic graphical models for both undirected and directed acyclic graphs (DAGs). Paper A presents a novel algorithm, called the Christmas tree algorithm (CTA), that incrementally construct junction trees for decomposable graphs by adding one node at a time ...
openaire   +2 more sources

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

open access: yesAdvanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su   +5 more
wiley   +1 more source

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