Rule-based machine learningRule-based machine learning (RBML) is a term in computer science intended to encompass any machine learning method that identifies, learns, or evolves 'rules' to store, manipulate or apply. The defining characteristic of a rule-based machine learner is the identification and utilization of a set of relational rules that collectively represent the knowledge captured by the system. This is in contrast to other machine learners that commonly identify a singular model that can be universally applied to any instance in order to make a prediction.
Rotations and reflections in two dimensionsIn Euclidean geometry, two-dimensional rotations and reflections are two kinds of Euclidean plane isometries which are related to one another. A rotation in the plane can be formed by composing a pair of reflections. First reflect a point P to its image P′ on the other side of line L1. Then reflect P′ to its image P′′ on the other side of line L2. If lines L1 and L2 make an angle θ with one another, then points P and P′′ will make an angle 2θ around point O, the intersection of L1 and L2. I.e.
Basis (linear algebra)In mathematics, a set B of vectors in a vector space V is called a basis (: bases) if every element of V may be written in a unique way as a finite linear combination of elements of B. The coefficients of this linear combination are referred to as components or coordinates of the vector with respect to B. The elements of a basis are called . Equivalently, a set B is a basis if its elements are linearly independent and every element of V is a linear combination of elements of B.
3D rotation groupIn mechanics and geometry, the 3D rotation group, often denoted SO(3), is the group of all rotations about the origin of three-dimensional Euclidean space under the operation of composition. By definition, a rotation about the origin is a transformation that preserves the origin, Euclidean distance (so it is an isometry), and orientation (i.e., handedness of space). Composing two rotations results in another rotation, every rotation has a unique inverse rotation, and the identity map satisfies the definition of a rotation.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Knot polynomialIn the mathematical field of knot theory, a knot polynomial is a knot invariant in the form of a polynomial whose coefficients encode some of the properties of a given knot. The first knot polynomial, the Alexander polynomial, was introduced by James Waddell Alexander II in 1923. Other knot polynomials were not found until almost 60 years later. In the 1960s, John Conway came up with a skein relation for a version of the Alexander polynomial, usually referred to as the Alexander–Conway polynomial.
Alexander polynomialIn mathematics, the Alexander polynomial is a knot invariant which assigns a polynomial with integer coefficients to each knot type. James Waddell Alexander II discovered this, the first knot polynomial, in 1923. In 1969, John Conway showed a version of this polynomial, now called the Alexander–Conway polynomial, could be computed using a skein relation, although its significance was not realized until the discovery of the Jones polynomial in 1984.
Jones polynomialIn the mathematical field of knot theory, the Jones polynomial is a knot polynomial discovered by Vaughan Jones in 1984. Specifically, it is an invariant of an oriented knot or link which assigns to each oriented knot or link a Laurent polynomial in the variable with integer coefficients. Suppose we have an oriented link , given as a knot diagram. We will define the Jones polynomial, , using Louis Kauffman's bracket polynomial, which we denote by . Here the bracket polynomial is a Laurent polynomial in the variable with integer coefficients.
HOMFLY polynomialIn the mathematical field of knot theory, the HOMFLY polynomial or HOMFLYPT polynomial, sometimes called the generalized Jones polynomial, is a 2-variable knot polynomial, i.e. a knot invariant in the form of a polynomial of variables m and l. A central question in the mathematical theory of knots is whether two knot diagrams represent the same knot. One tool used to answer such questions is a knot polynomial, which is computed from a diagram of the knot and can be shown to be an invariant of the knot, i.e.
Knot invariantIn the mathematical field of knot theory, a knot invariant is a quantity (in a broad sense) defined for each knot which is the same for equivalent knots. The equivalence is often given by ambient isotopy but can be given by homeomorphism. Some invariants are indeed numbers (algebraic), but invariants can range from the simple, such as a yes/no answer, to those as complex as a homology theory (for example, "a knot invariant is a rule that assigns to any knot K a quantity φ(K) such that if K and are equivalent then φ(K) = φ().
Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
