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相关概念视频

Nonconscious Mimicry01:13

Nonconscious Mimicry

4.6K
Nonconscious mimicry occurs when individuals alter their mannerisms to match the behaviors and expressions of those nearby, without intention.
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Self-Evaluation: Self-Enhancement and Self-Verification03:00

Self-Evaluation: Self-Enhancement and Self-Verification

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Social psychologists have documented that feeling good about ourselves and maintaining positive self-esteem is a powerful motivator of human behavior (Tavris & Aronson, 2008). In the United States, members of the predominant culture typically think very highly of themselves and view themselves as good people who are above average on many desirable traits (Ehrlinger, Gilovich, & Ross, 2005). Often, our behavior, attitudes, and beliefs are affected when we experience a threat to our...
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The Sense of Self: Reflected Self-Appraisal and Social Comparison02:57

The Sense of Self: Reflected Self-Appraisal and Social Comparison

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According to Charles Cooley, we base our image on what we think other people see (Cooley 1902). We imagine how we must appear to others, then react to this speculation. We don certain clothes, prepare our hair in a particular manner, wear makeup, use cologne, and the like—all with the notion that our presentation of ourselves is going to affect how others perceive us. We expect a certain reaction, and, if lucky, we get the one we desire and feel good about it. But more than that, Cooley...
49.9K
Self-Schemas02:16

Self-Schemas

31.1K
In general, a schema is a mental construct consisting of a cluster or collection of related concepts (Bartlett, 1932). There are many different types of schemata, and they all have one thing in common: schemata are a method of organizing information that allows the brain to work more efficiently. When a schema is activated, the brain makes immediate assumptions about the person or object being observed.
31.1K
Self-Discrepancy Theory02:45

Self-Discrepancy Theory

18.3K
One influential perspective on what motivates people's behavior is detailed in Tory Higgin's self-discrepancy theory (Higgins, 1987). He proposed that people hold disagreeing internal representations of themselves that lead to different emotional states.  
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Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

644
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
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相关实验视频

Updated: Jul 6, 2025

Observing the Transformation of Bodily Self-consciousness in the Squeeze-machine Experiment
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Observing the Transformation of Bodily Self-consciousness in the Squeeze-machine Experiment

Published on: March 8, 2019

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相对分子自我注意力变压器变压器

Łukasz Maziarka1, Dawid Majchrowski2, Tomasz Danel3

  • 1Faculty of Mathematics and Computer Science, Jagiellonian University, Łojasiewicza 6, 30-348, Cracow, Poland. lukasz.maziarka@ii.uj.edu.pl.

Journal of cheminformatics
|January 4, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了一个新的机器学习模型,相对分子自我注意力变压器,用于预测药物发现中的分子特性. 这种方法可以提高小型数据集的性能,这对于有效的药物设计至关重要.

关键词:
分子属性预测的预测分子自我注意力神经网络预培训 神经网络预培训

更多相关视频

Measurement of Neurophysiological Signals of Ignoring and Attending Processes in Attention Control
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Measurement of Neurophysiological Signals of Ignoring and Attending Processes in Attention Control

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Measuring Attention and Visual Processing Speed by Model-based Analysis of Temporal-order Judgments
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Measuring Attention and Visual Processing Speed by Model-based Analysis of Temporal-order Judgments

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相关实验视频

Last Updated: Jul 6, 2025

Observing the Transformation of Bodily Self-consciousness in the Squeeze-machine Experiment
07:20

Observing the Transformation of Bodily Self-consciousness in the Squeeze-machine Experiment

Published on: March 8, 2019

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Measurement of Neurophysiological Signals of Ignoring and Attending Processes in Attention Control
09:37

Measurement of Neurophysiological Signals of Ignoring and Attending Processes in Attention Control

Published on: July 5, 2015

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Measuring Attention and Visual Processing Speed by Model-based Analysis of Temporal-order Judgments
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Measuring Attention and Visual Processing Speed by Model-based Analysis of Temporal-order Judgments

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科学领域:

  • 计算化学计算化学
  • 机器学习 机器学习
  • 药物发现 药物发现 药物发现

背景情况:

  • 预测分子特性对于具有成本效益的药物发现至关重要.
  • 机器学习 (ML) 越来越多地用于分子性质预测.
  • 优化ML用于药物发现中常见的小数据集仍然存在挑战.

研究的目的:

  • 介绍一个新的ML架构用于分子表示学习.
  • 解决目前用于药物发现数据集的ML方法的局限性.
  • 提高分子性质预测的效率和准确性.

主要方法:

  • 开发了相对分子自我注意力变压器 (RMST) 架构.
  • 利用相对自我注意力和3D分子表示.
  • 实施了用于模型优化的两步预训练程序.

主要成果:

  • 使用特定域的诱导偏差,RMST有效捕获原子和键相互作用.
  • 预训练策略需要调整最小的超参数.
  • 在各种任务中实现了与最先进的模型可比的性能.

结论:

  • 在药物发现中,RMST为分子表示学习提供了一个强大的新工具.
  • 拟议的预训练方法提高了在小数据集上ML模型的性能.
  • 这项工作有助于更高效,更准确的药物设计过程.