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.
Recurrent neural networkA recurrent neural network (RNN) is one of the two broad types of artificial neural network, characterized by direction of the flow of information between its layers. In contrast to uni-directional feedforward neural network, it is a bi-directional artificial neural network, meaning that it allows the output from some nodes to affect subsequent input to the same nodes. Their ability to use internal state (memory) to process arbitrary sequences of inputs makes them applicable to tasks such as unsegmented, connected handwriting recognition or speech recognition.
Feedforward neural networkA feedforward neural network (FNN) is one of the two broad types of artificial neural network, characterized by direction of the flow of information between its layers. Its flow is uni-directional, meaning that the information in the model flows in only one direction—forward—from the input nodes, through the hidden nodes (if any) and to the output nodes, without any cycles or loops, in contrast to recurrent neural networks, which have a bi-directional flow.
Artificial neural networkArtificial neural networks (ANNs, also shortened to neural networks (NNs) or neural nets) are a branch of machine learning models that are built using principles of neuronal organization discovered by connectionism in the biological neural networks constituting animal brains. An ANN is based on a collection of connected units or nodes called artificial neurons, which loosely model the neurons in a biological brain. Each connection, like the synapses in a biological brain, can transmit a signal to other neurons.
Types of artificial neural networksThere are many types of artificial neural networks (ANN). Artificial neural networks are computational models inspired by biological neural networks, and are used to approximate functions that are generally unknown. Particularly, they are inspired by the behaviour of neurons and the electrical signals they convey between input (such as from the eyes or nerve endings in the hand), processing, and output from the brain (such as reacting to light, touch, or heat). The way neurons semantically communicate is an area of ongoing research.
HydroniumIn chemistry, hydronium (hydroxonium in traditional British English) is the common name for the aqueous cation , the type of oxonium ion produced by protonation of water. It is often viewed as the positive ion present when an Arrhenius acid is dissolved in water, as Arrhenius acid molecules in solution give up a proton (a positive hydrogen ion, ) to the surrounding water molecules (). In fact, acids must be surrounded by more than a single water molecule in order to ionize, yielding aqueous and conjugate base.
MoleculeA molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and molecule is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.
Line integralIn mathematics, a line integral is an integral where the function to be integrated is evaluated along a curve. The terms path integral, curve integral, and curvilinear integral are also used; contour integral is used as well, although that is typically reserved for line integrals in the complex plane. The function to be integrated may be a scalar field or a vector field. The value of the line integral is the sum of values of the field at all points on the curve, weighted by some scalar function on the curve (commonly arc length or, for a vector field, the scalar product of the vector field with a differential vector in the curve).
HeliumHelium (from helios) is a chemical element with the symbol He and atomic number 2. It is a colorless, odorless, tasteless, non-toxic, inert, monatomic gas and the first in the noble gas group in the periodic table. Its boiling point is the lowest among all the elements, and it does not have a melting point at standard pressure. It is the second-lightest and second most abundant element in the observable universe, after hydrogen. It is present at about 24% of the total elemental mass, which is more than 12 times the mass of all the heavier elements combined.
Reactivity (chemistry)In chemistry, reactivity is the impulse for which a chemical substance undergoes a chemical reaction, either by itself or with other materials, with an overall release of energy. Reactivity refers to: the chemical reactions of a single substance, the chemical reactions of two or more substances that interact with each other, the systematic study of sets of reactions of these two kinds, methodology that applies to the study of reactivity of chemicals of all kinds, experimental methods that are used to observe these processes theories to predict and to account for these processes.
Hydron (chemistry)In chemistry, the hydron, informally called proton, is the cationic form of atomic hydrogen, represented with the symbol H+. The general term "hydron", endorsed by the IUPAC, encompasses cations of hydrogen regardless of their isotopic composition: thus it refers collectively to protons (1H+) for the protium isotope, deuterons (2H+ or D+) for the deuterium isotope, and tritons (3H+ or T+) for the tritium isotope. Unlike most other ions, the hydron consists only of a bare atomic nucleus.
Cauchy's integral theoremIn mathematics, the Cauchy integral theorem (also known as the Cauchy–Goursat theorem) in complex analysis, named after Augustin-Louis Cauchy (and Édouard Goursat), is an important statement about line integrals for holomorphic functions in the complex plane. Essentially, it says that if is holomorphic in a simply connected domain Ω, then for any simply closed contour in Ω, that contour integral is zero.
Grotthuss mechanismThe Grotthuss mechanism (also known as proton jumping) is a model for the process by which an 'excess' proton or proton defect diffuses through the hydrogen bond network of water molecules or other hydrogen-bonded liquids through the formation and concomitant cleavage of covalent bonds involving neighboring molecules. In his 1806 publication “Theory of decomposition of liquids by electrical currents”, Theodor Grotthuss proposed a theory of water conductivity.
IntegralIn mathematics, an integral is the continuous analog of a sum, which is used to calculate areas, volumes, and their generalizations. Integration, the process of computing an integral, is one of the two fundamental operations of calculus, the other being differentiation. Integration started as a method to solve problems in mathematics and physics, such as finding the area under a curve, or determining displacement from velocity. Today integration is used in a wide variety of scientific fields.
Interatomic potentialInteratomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
Hypervalent moleculeIn chemistry, a hypervalent molecule (the phenomenon is sometimes colloquially known as expanded octet) is a molecule that contains one or more main group elements apparently bearing more than eight electrons in their valence shells. Phosphorus pentachloride (), sulfur hexafluoride (), chlorine trifluoride (), the chlorite () ion, and the triiodide () ion are examples of hypervalent molecules. Hypervalent molecules were first formally defined by Jeremy I. Musher in 1969 as molecules having central atoms of group 15–18 in any valence other than the lowest (i.
Helium atomA helium atom is an atom of the chemical element helium. Helium is composed of two electrons bound by the electromagnetic force to a nucleus containing two protons along with either one or two neutrons, depending on the isotope, held together by the strong force. Unlike for hydrogen, a closed-form solution to the Schrödinger equation for the helium atom has not been found. However, various approximations, such as the Hartree–Fock method, can be used to estimate the ground state energy and wavefunction of the atom.
Dirichlet integralIn mathematics, there are several integrals known as the Dirichlet integral, after the German mathematician Peter Gustav Lejeune Dirichlet, one of which is the improper integral of the sinc function over the positive real line: This integral is not absolutely convergent, meaning is not Lebesgue-integrable, because the Dirichlet integral is infinite in the sense of Lebesgue integration. It is, however, finite in the sense of the improper Riemann integral or the generalized Riemann or Henstock–Kurzweil integral.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
Alpha particleAlpha particles, also called alpha rays or alpha radiation, consist of two protons and two neutrons bound together into a particle identical to a helium-4 nucleus. They are generally produced in the process of alpha decay, but may also be produced in other ways. Alpha particles are named after the first letter in the Greek alphabet, α. The symbol for the alpha particle is α or α2+. Because they are identical to helium nuclei, they are also sometimes written as He2+ or 42He2+ indicating a helium ion with a +2 charge (missing its two electrons).
