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3.5. Numerical and Scientific Analysis (NSA)
This area covers numerical algorithms for computation: error analysis, linear algebra solvers, numerical integration, differential equations, and optimization methods essential for implementing reliable computational systems and scientific software.
3.5.1. NSA/Approximation Theory and Interpolation (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Polynomial and spline interpolation, best approximation, Chebyshev polynomials, and rational approximation.
Topics:
Core
- Polynomial interpolation: Lagrange, Newton divided differences, and Runge's phenomenon
- Spline interpolation: cubic splines, B-splines, and piecewise polynomial methods
- Best approximation in normed spaces: Chebyshev (minimax) and least squares
- Chebyshev polynomials: properties, orthogonality, and spectral convergence
- Trigonometric approximation and the fast Fourier transform (FFT)
Learning Outcomes:
Core:
- Explain Runge's phenomenon and justify the choice of Chebyshev nodes to mitigate it [Familiarity]
- Construct cubic spline and Chebyshev interpolants for given data and estimate the interpolation error [Usage]
- Apply the FFT to efficiently compute trigonometric approximations of a sampled function [Assessment]
3.5.2. NSA/Numerical Integration and Quadrature (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Quadrature rules, adaptive integration, Gaussian quadrature, and multi-dimensional integration.
Topics:
Core
- Newton-Cotes rules: trapezoidal, Simpson's, and composite rules; error analysis
- Adaptive quadrature and automatic error control
- Gaussian quadrature: optimal nodes and weights, orthogonal polynomial connection
- Numerical treatment of improper and singular integrals
- Monte Carlo integration and quasi-Monte Carlo methods for high-dimensional integrals
Learning Outcomes:
Core:
- Derive the error formula for composite Simpson's rule and identify its order of accuracy [Familiarity]
- Select and apply an appropriate quadrature rule (Gaussian, adaptive) based on integrand regularity [Usage]
- Apply Monte Carlo integration to estimate high-dimensional integrals and quantify the statistical error [Assessment]
3.5.3. NSA/Error Analysis and Floating-Point Arithmetic (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Sources of numerical error, IEEE 754 floating-point arithmetic, rounding, cancellation, and forward and backward error analysis, critical for reliable software engineering.
Topics:
Core
- IEEE 754 floating-point representation: machine epsilon, overflow, underflow, and rounding modes
- Rounding errors, catastrophic cancellation, and loss of significance
- Forward and backward error analysis; condition number of a problem
- Numerical stability: stable vs. unstable algorithms; Wilkinson's backward error analysis
- Error propagation in arithmetic operations and function evaluation
Learning Outcomes:
Core:
- Explain the IEEE 754 floating-point standard and identify the sources of rounding and cancellation errors [Familiarity]
- Estimate the condition number of a problem and predict the accuracy of a numerical result [Usage]
- Analyze an algorithm for numerical stability using forward and backward error bounds [Assessment]
3.5.4. NSA/Root-Finding for Nonlinear Equations (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Iterative methods for approximating roots of nonlinear equations and systems of nonlinear equations, the basis of solvers used in optimization and machine learning.
Topics:
Core
- Bisection method: interval bracketing, stopping criteria, and error bound
- Newton-Raphson method: derivation, quadratic convergence, and failure cases
- Secant method as an alternative to Newton's method without an explicit derivative
- Order of convergence and efficiency comparison among iterative methods
- Extension of Newton's method to systems of nonlinear equations via the Jacobian matrix, the basis of solvers used in machine learning
Learning Outcomes:
Core:
- Compare the convergence guarantees of the bisection, Newton-Raphson, and secant methods [Familiarity]
- Implement the Newton-Raphson method to approximate roots of a nonlinear function [Usage]
- Analyze the order of convergence of an iterative method and justify its choice based on computational cost [Assessment]
3.5.5. NSA/Numerical Linear Algebra (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Algorithms for solving linear systems, least squares, eigenvalue problems, and matrix factorizations, applied in machine learning and scientific computing.
Topics:
Core
- Gaussian elimination with partial pivoting, LU factorization, and complexity analysis
- QR factorization via Householder and Gram-Schmidt; least squares problems
- Eigenvalue algorithms: power iteration, QR algorithm, and the Lanczos method
- Singular value decomposition: computation, truncation, and applications (PCA, pseudoinverse)
- Iterative methods for large sparse systems: CG, GMRES, and preconditioning
Learning Outcomes:
Core:
- Compare direct and iterative solvers and select the appropriate method for a given matrix structure [Familiarity]
- Apply QR factorization and SVD to solve least squares problems and compute low-rank approximations [Usage]
- Analyze the numerical stability and computational cost of eigenvalue algorithms [Assessment]
3.5.6. NSA/Numerical Methods for Differential Equations (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Finite difference and Runge-Kutta methods for ODEs, stability analysis, and finite difference methods for PDEs, used in scientific simulation and physics-based computing.
Topics:
Core
- Runge-Kutta methods: Euler, RK4, and embedded methods for error control
- Linear multistep methods: Adams-Bashforth, Adams-Moulton, and BDF methods
- Stability analysis: zero-stability, absolute stability regions, and stiff ODEs
- Finite difference methods for parabolic and elliptic PDEs: stability and convergence
Learning Outcomes:
Core:
- Compare explicit and implicit ODE solvers and explain their relative stability for stiff problems [Familiarity]
- Implement a Runge-Kutta method with adaptive step control and apply it to a system of ODEs [Usage]
- Analyze the stability and convergence of a finite difference scheme for a parabolic PDE [Assessment]
3.5.7. NSA/Optimization Algorithms (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Gradient methods, Newton and quasi-Newton methods, constrained optimization, and convex optimization algorithms foundational for training machine learning models.
Topics:
Core
- Gradient descent and line search methods: Armijo-Wolfe conditions and convergence rates
- Newton's method and quasi-Newton methods (BFGS, L-BFGS)
- Constrained optimization: KKT conditions, penalty methods, and sequential quadratic programming
- Convex optimization algorithms: interior-point methods and ADMM
- Stochastic gradient descent (SGD), variance reduction, and Adam optimizer
Learning Outcomes:
Core:
- Explain the convergence guarantees of gradient descent for smooth convex functions [Familiarity]
- Apply Newton and quasi-Newton methods to unconstrained optimization problems [Usage]
- Formulate a constrained optimization problem as a KKT system and apply an interior-point method [Assessment]
3.5.8. NSA/Finite Element Method (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Variational formulation, Galerkin methods, finite element spaces, error estimates, and applications to elliptic PDEs.
Topics:
Core
- Weak (variational) formulation of boundary value problems and Sobolev spaces
- Galerkin method: finite-dimensional approximation spaces and the stiffness matrix
- Triangular and quadrilateral finite element spaces: Lagrange elements and conformity
- A priori error estimates: Céa's lemma and interpolation error bounds
Non Core
- A posteriori error estimates and adaptive mesh refinement
Learning Outcomes:
Core:
- Derive the weak formulation of an elliptic BVP and show its equivalence to the strong form [Familiarity]
- Assemble the global stiffness matrix and load vector for a linear finite element discretization [Usage]
- Estimate the \(H^1\) error of a finite element solution using Céa's lemma and interpolation theory [Assessment]
3.5.9. NSA/Parallel and High-Performance Computing (CS Core: 1 hr, KA Core: 1 hr) ↑ Back to top
Parallel architectures, performance models, parallel algorithms for linear algebra, and GPU computing.
Topics:
Core
- Parallel architectures: shared memory (OpenMP), distributed memory (MPI), and GPU (CUDA)
- Performance models: Amdahl's law, roofline model, and communication complexity
- Parallel algorithms for dense and sparse linear algebra (ScaLAPACK, PETSc)
- Domain decomposition and parallel PDE solvers
Non Core
- Automatic differentiation (forward and reverse mode) and its role in scientific ML
Learning Outcomes:
Core:
- Explain Amdahl's law and identify the bottlenecks limiting parallel speedup in a given algorithm [Familiarity]
- Implement a parallel linear algebra routine using MPI or OpenMP and measure parallel efficiency [Usage]
NonCore:
- Apply automatic differentiation to compute gradients of complex scientific functions for optimization [Assessment]