相关论文: A new Reinforcement Learning framework to discover…

This short review discusses recent applications of Reinforcement Learning (RL) techniques to the flavor problem in particle physics. Traditional approaches to fermion masses and mixing often rely on extensions of the Standard Model based on…

The transformation towards renewable energy and feedstock supply in the chemical industry requires new conceptual process design approaches. Recently, breakthroughs in artificial intelligence offer opportunities to accelerate this…

We propose a reinforcement learning-based search strategy to explore new physics beyond the Standard Model. The reinforcement learning, which is one of machine learning methods, is a powerful approach to find model parameters with…

Molecular gastronomy is a distinct sub-discipline of food science that takes an active role in examining chemical and physical properties of ingredients and as such lends itself to more scientific approaches to finding novel ingredient…

Reinforcement learning has recently experienced increased prominence in the machine learning community. There are many approaches to solving reinforcement learning problems with new techniques developed constantly. When solving problems…

Machine learning is the study of computer algorithms that can automatically improve based on data and experience. Machine learning algorithms build a model from sample data, called training data, to make predictions or judgments without…

Deep learning-based approaches for generating novel drug molecules with specific properties have gained a lot of interest in the last few years. Recent studies have demonstrated promising performance for string-based generation of novel…

The fundamental goal of generative drug design is to propose optimized molecules that meet predefined activity, selectivity, and pharmacokinetic criteria. Despite recent progress, we argue that existing generative methods are limited in…

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine learning, particularly graph learning, is gaining increasing recognition for its transformative impact across various fields. One such promising application is in the realm of molecule design and discovery, notably within the…

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors.…

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Particle physics theories, such as those which explain neutrino flavor mixing, arise from a vast landscape of model-building possibilities. A model's construction typically relies on the intuition of theorists. It also requires considerable…

Computer-aided design of molecules has the potential to disrupt the field of drug and material discovery. Machine learning, and deep learning, in particular, have been topics where the field has been developing at a rapid pace.…

Flavor development in the food industry is increasingly challenged by the need for rapid innovation and precise flavor profile creation. Traditional flavor research methods typically rely on iterative, subjective testing, which lacks the…

Machine Learning requires large amounts of labeled data to fit a model. Many datasets are already publicly available, nevertheless forcing application possibilities of machine learning to the domains of those public datasets. The…

Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting…

To be successful in real-world tasks, Reinforcement Learning (RL) needs to exploit the compositional, relational, and hierarchical structure of the world, and learn to transfer it to the task at hand. Recent advances in representation…

Purpose: The study aims to investigate the application of the data element market in software project management, focusing on improving effort estimation by addressing challenges faced by traditional methods. Design/methodology/approach:…