Equation Solvers Overview

The SciML Equation Solvers cover a large set of SciMLProblems with SciMLAlgorithms that are efficient, numerically stable, and flexible. These methods tie into libraries like SciMLSensitivity.jl to be fully differentiable and compatible with machine learning pipelines, and are designed for integration with applications like parameter estimation, global sensitivity analysis, and more.

LinearSolve.jl: Unified Interface for Linear Solvers

LinearSolve.jl is the canonical library for solving LinearProblems. It includes:

  • Fast pure Julia LU factorizations which outperform standard BLAS
  • KLU for faster sparse LU factorization on unstructured matrices
  • UMFPACK for faster sparse LU factorization on matrices with some repeated structure
  • MKLPardiso wrappers for handling many sparse matrices faster than SuiteSparse (KLU, UMFPACK) methods
  • GPU-offloading for large dense matrices
  • Wrappers to all of the Krylov implementations (Krylov.jl, IterativeSolvers.jl, KrylovKit.jl) for easy testing of all of them. LinearSolve.jl handles the API differences, especially with the preconditioner definitions
  • A polyalgorithm that smartly chooses between these methods
  • A caching interface which automates caching of symbolic factorizations and numerical factorizations as optimally as possible
  • Compatible with arbitrary AbstractArray and Number types, such as GPU-based arrays, uncertainty quantification number types, and more.

NonlinearSolve.jl: Unified Interface for Nonlinear Solvers

NonlinearSolve.jl is the canonical library for solving NonlinearProblems. It includes:

  • Fast non-allocating implementations on static arrays of common methods (Newton-Rhapson)
  • Bracketing methods (Bisection, Falsi) for methods with known upper and lower bounds
  • Wrappers to common other solvers (NLsolve.jl, MINPACK, KINSOL from Sundials) for trust region methods, line search based approaches, etc.
  • Built over the LinearSolve.jl API for maximum flexibility and performance in the solving approach
  • Compatible with arbitrary AbstractArray and Number types, such as GPU-based arrays, uncertainty quantification number types, and more.

DifferentialEquations.jl: Unified Interface for Differential Equation Solvers

DifferentialEquations.jl is the canonical library for solving DEProblems. This includes:

  • Discrete equations (function maps, discrete stochastic (Gillespie/Markov) simulations) (DiscreteProblem)
  • Ordinary differential equations (ODEs) (ODEProblem)
  • Split and Partitioned ODEs (Symplectic integrators, IMEX Methods) (SplitODEProblem)
  • Stochastic ordinary differential equations (SODEs or SDEs) (SDEProblem)
  • Stochastic differential-algebraic equations (SDAEs) (SDEProblem with mass matrices)
  • Random differential equations (RODEs or RDEs) (RODEProblem)
  • Differential algebraic equations (DAEs) (DAEProblem and ODEProblem with mass matrices)
  • Delay differential equations (DDEs) (DDEProblem)
  • Neutral, retarded, and algebraic delay differential equations (NDDEs, RDDEs, and DDAEs)
  • Stochastic delay differential equations (SDDEs) (SDDEProblem)
  • Experimental support for stochastic neutral, retarded, and algebraic delay differential equations (SNDDEs, SRDDEs, and SDDAEs)
  • Mixed discrete and continuous equations (Hybrid Equations, Jump Diffusions) (DEProblems with callbacks and JumpProblem)

The well-optimized DifferentialEquations solvers benchmark as some of the fastest implementations of classic algorithms. It also includes algorithms from recent research which routinely outperform the "standard" C/Fortran methods, and algorithms optimized for high-precision and HPC applications. Simultaneously, it wraps the classic C/Fortran methods, making it easy to switch over to them whenever necessary. Solving differential equations with different methods from different languages and packages can be done by changing one line of code, allowing for easy benchmarking to ensure you are using the fastest method possible.

DifferentialEquations.jl integrates with the Julia package sphere with:

  • GPU acceleration through CUDAnative.jl and CuArrays.jl
  • Automated sparsity detection with Symbolics.jl
  • Automatic Jacobian coloring with SparseDiffTools.jl, allowing for fast solutions to problems with sparse or structured (Tridiagonal, Banded, BlockBanded, etc.) Jacobians
  • Allowing the specification of linear solvers for maximal efficiency
  • Progress meter integration with the Juno IDE for estimated time to solution
  • Automatic plotting of time series and phase plots
  • Built-in interpolations
  • Wraps for common C/Fortran methods, like Sundials and Hairer's radau
  • Arbitrary precision with BigFloats and Arbfloats
  • Arbitrary array types, allowing the definition of differential equations on matrices and distributed arrays
  • Unit-checked arithmetic with Unitful

Optimization.jl: Unified Interface for Optimization

Optimization.jl is the canonical library for solving OptimizationProblems. It includes wrappers of most of the Julia nonlinear optimization ecosystem, allowing one syntax to use all packages in a uniform manner. This covers:

Integrals.jl: Unified Interface for Numerical Integration

Integrals.jl is the canonical library for solving IntegralsProblems. It includes wrappers of most of the Julia quadrature ecosystem, allowing one syntax to use all packages in a uniform manner. This covers:

  • Gauss-Kronrod quadrature
  • Cubature methods (both h and p cubature)
  • Adaptive Monte Carlo methods

JumpProcesses.jl: Unified Interface for Jump Processes

JumpProcesses.jl is the library for Poisson jump processes, also known as chemical master equations or Gillespie simulations, for simulating chemical reaction networks and other applications. It allows for solving with many methods, including:

  • Direct: the Gillespie Direct method SSA.
  • RDirect: A variant of Gillespie's Direct method that uses rejection to sample the next reaction.
  • DirectCR: The Composition-Rejection Direct method of Slepoy et al. For large networks and linear chain-type networks it will often give better performance than Direct. (Requires dependency graph, see below.)
  • DirectFW: the Gillespie Direct method SSA with FunctionWrappers. This aggregator uses a different internal storage format for collections of ConstantRateJumps.
  • FRM: the Gillespie first reaction method SSA. Direct should generally offer better performance and be preferred to FRM.
  • FRMFW: the Gillespie first reaction method SSA with FunctionWrappers.
  • NRM: The Gibson-Bruck Next Reaction Method. For some reaction network structures this may offer better performance than Direct (for example, large, linear chains of reactions). (Requires dependency graph, see below.)
  • RSSA: The Rejection SSA (RSSA) method of Thanh et al. With RSSACR, for very large reaction networks it often offers the best performance of all methods. (Requires dependency graph, see below.)
  • RSSACR: The Rejection SSA (RSSA) with Composition-Rejection method of Thanh et al. With RSSA, for very large reaction networks it often offers the best performance of all methods. (Requires dependency graph, see below.)
  • SortingDirect: The Sorting Direct Method of McCollum et al. It will usually offer performance as good as Direct, and for some systems can offer substantially better performance. (Requires dependency graph, see below.)

The design of JumpProcesses.jl composes with DifferentialEquations.jl, allowing for discrete stochastic chemical reactions to be easily mixed with differential equation models, allowing for simulation of hybrid systems, jump diffusions, and differential equations driven by Levy processes.

In addition, JumpProcesses's interfaces allow for solving with regular jump methods, such as adaptive Tau-Leaping.

Third Party Libraries to Note

JuMP.jl: Julia for Mathematical Programming

While Optimization.jl is the preferred library for nonlinear optimization, for all other forms of optimization Julia for Mathematical Programming (JuMP) is the star. JuMP is the leading choice in Julia for doing:

  • Linear Programming
  • Quadratic Programming
  • Convex Programming
  • Conic Programming
  • Semidefinite Programming
  • Mixed-Complementarity Programming
  • Integer Programming
  • Mixed Integer (nonlinear/linear) Programming
  • (Mixed Integer) Second Order Conic Programming

JuMP can also be used for some nonlinear programming, though the Optimization.jl bindings to the JuMP solvers (via MathOptInterface.jl) is generally preferred.

FractionalDiffEq.jl: Fractional Differential Equation Solvers

FractionalDiffEq.jl is a set of high-performance solvers for fractional differential equations.

ManifoldDiffEq.jl: Solvers for Differential Equations on Manifolds

ManifoldDiffEq.jl is a set of high-performance solvers for differential equations on manifolds using methods such as Lie Group actions and frozen coefficients (Crouch-Grossman methods). These solvers can in many cases out-perform the OrdinaryDiffEq.jl nonautonomous operator ODE solvers by using methods specialized on manifold definitions of ManifoldsBase.

Manopt.jl: Optimization on Manifolds

ManOpt.jl allows for easy and efficient solving of nonlinear optimization problems on manifolds.