Results 61 to 70 of about 29,141 (271)

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan   +3 more
wiley   +1 more source

On the sum of signless Laplacian spectra of graphs

open access: yesKarpatsʹkì Matematičnì Publìkacìï, 2019
For a simple graph $G(V,E)$ with $n$ vertices, $m$ edges, vertex set $V(G)=\{v_1, v_2, \dots, v_n\}$ and edge set $E(G)=\{e_1, e_2,\dots, e_m\}$, the adjacency matrix $A=(a_{ij})$ of $G$ is a $(0, 1)$-square matrix of order $n$ whose $(i,j)$-entry is ...
S. Pirzada, H.A. Ganie, A.M. Alghamdi
doaj   +1 more source

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

open access: yesAdvanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows   +7 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

Some examples concerning $L\Sigma(\leq\omega)$ and metrizably fibered compacta [PDF]

open access: yes, 2023
The class of $L\Sigma(\leq\omega)$-spaces was introduced in 2006 by Kubi\'s, Okunev and Szeptycki as a natural refinement of the classical and important notion of Lindel\"of $\Sigma$-spaces.
Avilés, Antonio, Krupski, Mikołaj
core   +1 more source

Factorization Machine with Iterative Quantum Reverse Annealing: A Python Package for Batch Black‐Box Optimization With Reverse Quantum Annealing

open access: yesAdvanced Intelligent Discovery, EarlyView.
Factorization machine with iterative quantum reverse annealing (FMIRA) leverages quantum reverse annealing to perform batch black‐box optimization. Factorization machine with quantum annealing (FMQA) is a widely used python package for solving black‐box optimization problems using D‐Wave quantum annealers.
Andrejs Tučs, Ryo Tamura, Koji Tsuda
wiley   +1 more source

Maker-Breaker domination number for Cartesian products of path graphs $P_2$ and $P_n$ [PDF]

open access: yesDiscrete Mathematics & Theoretical Computer Science
We study the Maker-Breaker domination game played by Dominator and Staller on the vertex set of a given graph. Dominator wins when the vertices he has claimed form a dominating set of the graph.
Jovana Forcan, Jiayue Qi
doaj   +1 more source

AI‐BioMech: Deep Learning Prediction of Mechanical Behavior in Aperiodic Biological Cellular Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
AI‐BioMech is a deep learning framework that predicts the mechanical behavior of biological cellular materials directly from 2D images. By replacing traditional finite element analysis with semantic segmentation, it identifies stress and strain distributions with 99% accuracy, offering a high‐speed, scalable alternative for analyzing complex, aperiodic
Haleema Sadia   +2 more
wiley   +1 more source

An optimal condition for the uniqueness of a periodic solution for linear functional differential systems

open access: yesElectronic Journal of Qualitative Theory of Differential Equations, 2009
Unimprovable effective efficient conditions are established for the unique solvability of the periodic problem $$ \begin{aligned} u'_i (t)&=\sum\limits_{j=2}^{i+1} \ell_{i,j}(u_{j})(t) + q_i(t) \qquad \text{for} \quad 1 \leq i\leq n-1,\\ u'_n (t ...
Sulkhan Mukhigulashvili, I. Grytsay
doaj   +1 more source

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik   +6 more
wiley   +1 more source

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