Metal–organic frameworkMetal–organic frameworks (MOFs) are a class of compounds consisting of metal clusters (also known as SBUs) coordinated to organic ligands to form one-, two-, or three-dimensional structures. The organic ligands included are sometimes referred to as "struts" or "linkers", one example being 1,4-benzenedicarboxylic acid (BDC). More formally, a metal–organic framework is an organic-inorganic porous extended structure. An extended structure is a structure whose sub-units occur in a constant ratio and are arranged in a repeating pattern.
Deep reinforcement learningDeep reinforcement learning (deep RL) is a subfield of machine learning that combines reinforcement learning (RL) and deep learning. RL considers the problem of a computational agent learning to make decisions by trial and error. Deep RL incorporates deep learning into the solution, allowing agents to make decisions from unstructured input data without manual engineering of the state space. Deep RL algorithms are able to take in very large inputs (e.g.
Deep learningDeep learning is part of a broader family of machine learning methods, which is based on artificial neural networks with representation learning. The adjective "deep" in deep learning refers to the use of multiple layers in the network. Methods used can be either supervised, semi-supervised or unsupervised.
Hydrogen storageSeveral methods exist for storing hydrogen. These include mechanical approaches such as using high pressures and low temperatures, or employing chemical compounds that release H2 upon demand. While large amounts of hydrogen are produced by various industries, it is mostly consumed at the site of production, notably for the synthesis of ammonia. For many years hydrogen has been stored as compressed gas or cryogenic liquid, and transported as such in cylinders, tubes, and cryogenic tanks for use in industry or as propellant in space programs.
Reinforcement learningReinforcement learning (RL) is an area of machine learning concerned with how intelligent agents ought to take actions in an environment in order to maximize the notion of cumulative reward. Reinforcement learning is one of three basic machine learning paradigms, alongside supervised learning and unsupervised learning. Reinforcement learning differs from supervised learning in not needing labelled input/output pairs to be presented, and in not needing sub-optimal actions to be explicitly corrected.
Machine learningMachine learning (ML) is an umbrella term for solving problems for which development of algorithms by human programmers would be cost-prohibitive, and instead the problems are solved by helping machines 'discover' their 'own' algorithms, without needing to be explicitly told what to do by any human-developed algorithms. Recently, generative artificial neural networks have been able to surpass results of many previous approaches.
Covalent organic frameworkCovalent organic frameworks (COFs) are a class of materials that form two- or three-dimensional structures through reactions between organic precursors resulting in strong, covalent bonds to afford porous, stable, and crystalline materials. COFs emerged as a field from the overarching domain of organic materials as researchers optimized both synthetic control and precursor selection.
Google DeepMindDeepMind Technologies Limited, doing business as Google DeepMind, is a British-American artificial intelligence research laboratory which serves as a subsidiary of Google. Founded in the UK in 2010, it was acquired by Google in 2014, becoming a wholly owned subsidiary of Google parent company Alphabet Inc. after Google's corporate restructuring in 2015. The company is based in London, with research centres in Canada, France, and the United States.
Proton-exchange membrane fuel cellProton-exchange membrane fuel cells (PEMFC), also known as polymer electrolyte membrane (PEM) fuel cells, are a type of fuel cell being developed mainly for transport applications, as well as for stationary fuel-cell applications and portable fuel-cell applications. Their distinguishing features include lower temperature/pressure ranges (50 to 100 °C) and a special proton-conducting polymer electrolyte membrane. PEMFCs generate electricity and operate on the opposite principle to PEM electrolysis, which consumes electricity.
Reinforcement learning from human feedbackIn machine learning, reinforcement learning from human feedback (RLHF) or reinforcement learning from human preferences is a technique that trains a "reward model" directly from human feedback and uses the model as a reward function to optimize an agent's policy using reinforcement learning (RL) through an optimization algorithm like Proximal Policy Optimization. The reward model is trained in advance to the policy being optimized to predict if a given output is good (high reward) or bad (low reward).
Multi-agent reinforcement learningMulti-agent reinforcement learning (MARL) is a sub-field of reinforcement learning. It focuses on studying the behavior of multiple learning agents that coexist in a shared environment. Each agent is motivated by its own rewards, and does actions to advance its own interests; in some environments these interests are opposed to the interests of other agents, resulting in complex group dynamics. Multi-agent reinforcement learning is closely related to game theory and especially repeated games, as well as multi-agent systems.
Q-learningQ-learning is a model-free reinforcement learning algorithm to learn the value of an action in a particular state. It does not require a model of the environment (hence "model-free"), and it can handle problems with stochastic transitions and rewards without requiring adaptations. For any finite Markov decision process (FMDP), Q-learning finds an optimal policy in the sense of maximizing the expected value of the total reward over any and all successive steps, starting from the current state.
Linear subspaceIn mathematics, and more specifically in linear algebra, a linear subspace or vector subspace is a vector space that is a subset of some larger vector space. A linear subspace is usually simply called a subspace when the context serves to distinguish it from other types of subspaces. If V is a vector space over a field K and if W is a subset of V, then W is a linear subspace of V if under the operations of V, W is a vector space over K.
Convolutional neural networkConvolutional neural network (CNN) is a regularized type of feed-forward neural network that learns feature engineering by itself via filters (or kernel) optimization. Vanishing gradients and exploding gradients, seen during backpropagation in earlier neural networks, are prevented by using regularized weights over fewer connections. For example, for each neuron in the fully-connected layer 10,000 weights would be required for processing an image sized 100 × 100 pixels.
Direct air captureDirect air capture (DAC) is the use of chemical or physical processes to extract carbon dioxide directly from the ambient air. If the extracted is then sequestered in safe long-term storage (called direct air carbon capture and sequestration (DACCS)), the overall process will achieve carbon dioxide removal and be a "negative emissions technology" (NET). As of 2022, DAC has yet to become profitable because the cost of using DAC to sequester carbon dioxide is several times the carbon price.
Complemented subspaceIn the branch of mathematics called functional analysis, a complemented subspace of a topological vector space is a vector subspace for which there exists some other vector subspace of called its (topological) complement in , such that is the direct sum in the category of topological vector spaces. Formally, topological direct sums strengthen the algebraic direct sum by requiring certain maps be continuous; the result retains many nice properties from the operation of direct sum in finite-dimensional vector spaces.
Self-playSelf-play is a technique for improving the performance of reinforcement learning agents. Intuitively, agents learn to improve their performance by playing "against themselves". In multi-agent reinforcement learning experiments, researchers try to optimize the performance of a learning agent on a given task, in cooperation or competition with one or more agents. These agents learn by trial-and-error, and researchers may choose to have the learning algorithm play the role of two or more of the different agents.
Inverse problemAn inverse problem in science is the process of calculating from a set of observations the causal factors that produced them: for example, calculating an image in X-ray computed tomography, source reconstruction in acoustics, or calculating the density of the Earth from measurements of its gravity field. It is called an inverse problem because it starts with the effects and then calculates the causes. It is the inverse of a forward problem, which starts with the causes and then calculates the effects.
