关于SISSO方法的最新进展及其在SISSO++代码中的实施

Thomas A R Purcell1, Matthias Scheffler1, Luca M Ghiringhelli1,2

  • 1The NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS-Adlershof of the Humboldt-Universität zu Berlin, Faradayweg 4-6, D-14195 Berlin, Germany.

PubMed
概括

SISSO++算法的进步增强了材料发现的可解释的人工智能 (AI). 新功能提高了描述器生成和解决器效率,加速了准确的人工智能模型的开发.

相关概念视频

Parallel Processing01:20

Parallel Processing

The brain processes sensory information rapidly due to parallel processing, which involves sending data across multiple neural pathways at the same time. This method allows the brain to manage various sensory qualities, such as shapes, colors, movements, and locations, all concurrently. For instance, when observing a forest landscape, the brain simultaneously processes the movement of leaves, the shapes of trees, the depth between them, and the various shades of green. This enables a quick and...
179
Statically Indeterminate Problem Solving01:16

Statically Indeterminate Problem Solving

Statically indeterminate problems are those where statics alone can not determine the internal forces or reactions. Consider a structure comprising two cylindrical rods made of steel and brass. These rods are joined at point B and restrained by rigid supports at points A and C. Now, the reactions at points A and C and the deflection at point B are to be determined. This rod structure is classified as statically indeterminate as the structure has more supports than are necessary for maintaining...
447
Extraction: Advanced Methods00:56

Extraction: Advanced Methods

Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
482
Singularity Functions for Shear01:26

Singularity Functions for Shear

In structural analysis, singularity functions are crucial in simplifying the representation of shear forces in beams under discontinuous loading. These functions describe discontinuous  variations in shear force across a beam with varying loads by using a single mathematical expression, regardless of the complexity of the loading conditions. The singularity functions are derived from creating a free-body diagram of the beam and then making conceptual cuts at specific points to examine the...
158
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
79
Method of Sections: Problem Solving II01:30

Method of Sections: Problem Solving II

Consider an arbitrary truss structure composed of diagonal, vertical, and horizontal members fixed to the wall. To calculate the force acting on members CB, GB, and GH, method of sections can be used. The loads and lengths of the horizontal and vertical members are known parameters, as shown in the figure.
1.0K