增强和编程优化的LLM提示符减少化学幻觉
1Department of Chemistry, University of Colorado Denver, 1151 Arapahoe St., Denver, Colorado 80217-3364, United States.
Journal of chemical information and modeling
|April 22, 2025
概括
大型语言模型 (LLM) 现在可以通过使用增强生成和机器学习优化的提示来更准确地预测分子拓极地表面积 (TPSA),从而显著减少预测错误.
科学领域:
- 计算化学是一种计算化学.
- 科学研究中的人工智能
背景情况:
- 大型语言模型 (LLM) 为科学数据分析提供了潜力,但容易出现不准确性 (幻觉).
- 提高LLM准确性和可靠性对于其在研究应用中的采用至关重要.
研究的目的:
- 提高LLMs在科学任务,特别是化学研究中的表现.
- 为了减少LLM驱动的分子性质计算中的预测错误.
主要方法:
- 结合增强生成与机器学习驱动的快速优化,用于LLM任务增强.
- 应用了增强的LLM方法来预测分子的拓极地表面积 (TPSA).
主要成果:
- 将TPSA预测的根平均平方误差 (RMSE) 从62.34降低到11.76.
- 在这种化学研究任务中,与标准的LLM功能相比,显著提高了性能.
结论:
- 增强生成和ML优化的提示有效地提高了科学应用中的LLM准确性.
- 这种方法允许在没有定制模型培训的情况下在研究中更可靠地使用LLM.
更多相关视频
08:28Automated Multimodal Stimulation and Simultaneous Neuronal Recording from Multiple Small Organisms
Published on: March 3, 2023
918
07:02A Computerized Test Battery to Study Pharmacodynamic Effects on the Central Nervous System of Cholinergic Drugs in Early Phase Drug Development
Published on: February 11, 2019
9.8K
相关概念视频
Hallucinogens and Psychedelics
149
Hallucinogens are psychoactive substances that profoundly alter perceptual experiences, generating unreal visual and sensory images. Often referred to as psychedelic drugs — a term derived from the Greek words "psyche" (mind) and "delos" (revealing) — these substances include marijuana and lysergic acid diethylamide (LSD), among others. These drugs vary in intensity and effects.
Marijuana, derived from the dried leaves and flowers of the hemp plant, contains...
Marijuana, derived from the dried leaves and flowers of the hemp plant, contains...
149
CNS Stimulants: Psychedelic Agents
107
Hallucinogens, also known as psychedelic drugs, are a class of substances known for their ability to alter perception, cognition, and emotions. Despite their profound effects on the mind, these drugs are non-addictive, setting them apart from many other abused substances. The mechanism of action of these drugs lies in their impact on the 5-HT2A receptor in the brain. Upon activation, this receptor couples to Gq-type G proteins, triggering a cascade that releases intracellular calcium. This...
107
Drug Therapy
32
The advent of drug therapy has profoundly shaped modern mental health care, providing targeted treatments for a range of psychological disorders. Psychotherapeutic drugs, classified into antianxiety, antidepressant, and antipsychotic medications, address symptoms across anxiety disorders, mood disorders, and schizophrenia. While these medications have transformed patient outcomes, they require careful management due to their potential side effects and limitations.
Antianxiety Medications
Antianxiety Medications
32
Cognitive Enhancers: Cholinesterase Inhibitors and NMDA Receptor Antagonists
86
Cognitive enhancers, also known as "smart drugs," are substances used to enhance memory, mental alertness, and concentration. These can be natural or synthetic and improve cognition in conditions like Alzheimer's disease (AD) and other neurodegenerative diseases. Some common examples include caffeine, amphetamines, methylphenidate, modafinil, arecoline, donepezil, vortioxetine, and piracetam. These enhancers work on the principle of synaptic plasticity and altered circuit function.
86
Long-term Potentiation
2.7K
Long-term potentiation, or LTP, is one of the ways by which synaptic plasticity—changes in the strength of chemical synapses—can occur in the brain. LTP is the process of synaptic strengthening that occurs over time between pre and postsynaptic neuronal connections. The synaptic strengthening of LTP works in opposition to the synaptic weakening of long-term depression (LTD) and together are the main mechanisms that underlie learning and memory.
Hebbian LTP
LTP can occur when...
Hebbian LTP
LTP can occur when...
2.7K
An Overview of Psychoactive Drugs
187
Psychoactive drugs impact brain function, influencing perception, mood, consciousness, cognition, and behavior. These substances are grouped based on their effects and the mechanisms by which they act.
Stimulants such as cocaine, amphetamines, and nicotine enhance brain activity, leading to increased alertness, attention, and energy. These drugs typically raise heart rate, blood pressure, and body temperature. While they can induce feelings of euphoria, their misuse can result in severe health...
Stimulants such as cocaine, amphetamines, and nicotine enhance brain activity, leading to increased alertness, attention, and energy. These drugs typically raise heart rate, blood pressure, and body temperature. While they can induce feelings of euphoria, their misuse can result in severe health...
187
