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相关概念视频

Relative Motion Analysis using Rotating Axes01:25

Relative Motion Analysis using Rotating Axes

469
Consider a component AB undergoing a linear motion. Along with a linear motion, point B also rotates around point A. To comprehend this complex movement, position vectors for both points A and B are established using a stationary reference frame.
However, to express the relative position of point B relative to point A, an additional frame of reference, denoted as x'y', is necessary. This additional frame not only translates but also rotates relative to the fixed frame, making it...
469
Relative Motion Analysis using Rotating Axes-Problem Solving01:29

Relative Motion Analysis using Rotating Axes-Problem Solving

406
Consider a crane whose telescopic boom rotates with an angular velocity of 0.04 rad/s and angular acceleration of 0.02 rad/s2. Along with the rotation, the boom also extends linearly with a uniform speed of 5 m/s. The extension of the boom is measured at point D, which is measured with respect to the fixed point C on the other end of the boom. For the given instant, the distance between points C and D is 60 meters.
Here, in order to determine the magnitude of velocity and acceleration for point...
406
Non-uniform Circular Motion01:22

Non-uniform Circular Motion

7.2K
In uniform circular motion, the particle executing circular motion has a constant speed, and the circle is at a fixed radius. However, not all circular motion occurs at a constant speed. A particle can travel in a circle and speed up or slow down, showing an acceleration in the direction of motion. In that case, the motion is called non-uniform circular motion, and an additional acceleration is introduced, which is in the direction tangential to the circle. 
For example, such...
7.2K
Curvilinear Motion: Polar Coordinates01:27

Curvilinear Motion: Polar Coordinates

370
In polar coordinates, the motion of a particle follows a curvilinear path. The radial coordinate symbolized as 'r,' extends outward from a fixed origin to the particle, while the angular coordinate, 'θ,' measured in radians, represents the counterclockwise angle between a fixed reference line and the radial line connecting the origin to the particle.
The particle's location is described using a unit vector along the radial direction. Deriving the particle's position...
370
Curvilinear Motion: Rectangular Components01:23

Curvilinear Motion: Rectangular Components

462
Curvilinear motion characterizes the movement of a particle or object along a curved path, notably evident when envisioning a car navigating a winding road. If the car starts at point A, its position vector is established within a fixed frame of reference, where the ratio of the position vector to its magnitude signifies the unit vector pointing in the position vector's direction.
As the car advances, its position evolves over time. Quantifying the car's velocity involves computing the...
462
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

56
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...
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MPI CyberMotion Simulator: Implementation of a Novel Motion Simulator to Investigate Multisensory Path Integration in Three Dimensions
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探索扭矩适合器空间与物理先前平均函数驱动的元高斯过程.

Chong Teng1, Daniel Huang2, Elizabeth Donahue1

  • 1Department of Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, USA.

The Journal of chemical physics
|December 5, 2023
PubMed
概括

我们开发了以物理驱动的元高斯过程 (meta-GPs) 进行高效的分子构造性搜索. 这种新的方法增强了对小分子的符合性发现和潜在能量表面学习.

科学领域:

  • 计算化学的计算化学
  • 分子建模分子建模
  • 机器学习在化学中的应用

背景情况:

  • 准确的热力学函数需要探索小分子的结构空间,识别所有局部最小值.
  • 传统的方法优化结构单独,缺乏可转移性,以实现高效的多变压器优化.
  • 探索潜在能量表面 (PES) 对于独特的适配器来说至关重要,但计算密集.

研究的目的:

  • 引入一种新的物理驱动的元高斯过程 (meta-GPs) 方法,用于系统的构造空间探索.
  • 为了能够有效和全面地发现分子适配体,并准确地生成PES.
  • 为了证明在扭曲空间中具有适应性先验的超级GP的转移学习能力.

主要方法:

  • 开发包含物理替代品的元高斯过程 (meta-GPs),用于在符合性优化中普遍应用.
  • 基于优化历史和贝叶斯学习进度的先前平均函数的动态选择.
  • 对meta-GP变体的系统基准测试与常规优化器对抗,用于氨基酸的粗暴力构造性搜索.

主要成果:

  • 与非替代品和非meta-GP方法相比,Meta-GP表现出更高的效率,全面性和符合分布.
  • 该方法成功地在扭转空间中生成了高质量的PES,并且训练数据最小.

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  • 在探索小分子 (包括氨基酸) 的结构空间方面,Meta-GPs显示出显著的优势.
  • 结论:

    • 超高斯过程为小分子的系统形状分析提供了强大而高效的方法.
    • 超级GPs的物理驱动性和适应性先验促进了分子建模中的有效转移学习.
    • 这项工作为通过基于物理的机器学习推进计算化学提供了一个有前途的途径.