Dedi Wang1, Pratyush Tiwary2,3

  • 1Biophysics Program and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, United States.

概括

本研究引入了一种混合方法,将数据驱动的集体变量 (CV) 与专家知识相结合,用于加权集体 (WE) 模拟中的增强采样. 这种方法提高了复杂分子动态的采样效率和数据分析.

相关概念视频

Perceiving Loudness, Pitch, and Location01:21

Perceiving Loudness, Pitch, and Location

The human brain perceives pitch through two primary mechanisms reflected in place theory and frequency theory. Each mechanism describes how sound waves are interpreted as specific pitches by the brain, offering insights into the intricate processes of auditory perception.
Place theory, or place coding, suggests that different pitches are heard because various sound waves activate specific locations along the cochlea's basilar membrane. The brain determines the pitch of a sound by identifying...
Introduction to Learning01:18

Introduction to Learning

Learning is the process of acquiring knowledge or skills through practice or experience, leading to long-lasting behavioral changes. This acquisition occurs through interaction with the environment and requires practice or experience. For instance, mastering a skill such as surfing requires considerable practice and experience, highlighting the essential role of repeated interactions with the environment in learning.
In contrast to learned behaviors, unlearned behaviors such as crying, sexual...
Associative Learning01:27

Associative Learning

Associative learning is a fundamental concept in behavioral psychology, wherein a connection is established between two stimuli or events, leading to a learned response. This process is critical in understanding how behaviors are acquired and modified. Conditioning, the mechanism through which associations are formed, can be divided into two main types: classical conditioning and operant conditioning, each elucidating different aspects of associative learning.
Classical conditioning, also known...
Cognitive Learning01:21

Cognitive Learning

Cognitive learning is based on purposive behavior, incidental learning, and insight learning.
E. C. Tolman's theory of purposive behavior emphasizes that much behavior is goal-directed. He argued that to understand behavior, we must look at the entire sequence of actions leading to a goal. For instance, high school students study hard, not just due to past reinforcement but also to achieve the goal of getting into a good college.
Tolman introduced the idea that behavior is influenced by...
Purposive Learning01:22

Purposive Learning

E. C. Tolman emphasized the purposiveness of behavior — the idea that much of our behavior is goal-directed. For instance, employees who aim for a promotion work diligently to meet their targets. Tolman argued that when classical conditioning and operant conditioning occur, the organism acquires certain expectations. In classical conditioning, a child might fear a dog because they expect it to bite. In operant conditioning, a person might consistently work overtime because they expect a bonus...
Observational Learning01:12

Observational Learning

Albert Bandura's observational learning, also known as imitation or modeling, occurs when a person observes and imitates another's behavior. It is a quicker process than operant conditioning. A well-known example is the Bobo doll study, where children who saw an adult acting aggressively towards the doll were more likely to act aggressively when left alone, compared to those who observed a nonaggressive adult. Many psychologists view observational learning as a form of latent learning because...