automatic differentiation: introduction
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Automatic Differentiation: Introduction. Automatic differentiation (AD) is a technology for transforming a subprogram that computes some function into a subprogram that computes the derivatives of that function - PowerPoint PPT PresentationTRANSCRIPT
Automatic Differentiation: Introduction
• Automatic differentiation (AD) is a technology for transforming a subprogram that computes some function into a subprogram that computes the derivatives of that function
• Derivatives used in optimization, nonlinear solvers, sensitivity analysis, uncertainty quantification
• Forward mode of AD is efficient for problems with few independent variables or Jacobian-vector products
• Reverse mode of AD is efficient for problems with few dependent variables or JTv products
• Efficiency of generated code depends on sophistication of underlying compiler analysis and combinatorial algorithms
AD: Current Capabilities
• Fortran 77: ADIFOR 2.0/3.0– Robust, mature tool with excellent language coverage– Excellent compiler analysis– Efficient forward mode (small number of independents)– Adequate reverse mode (small number of dependents)
• C/C++: ADIC 2.0– Semi-mature tool with full C language coverage– Sophisticated differentiation algorithms– Efficient forward mode
• Fortran 90: OpenAD/F– New tool with partial language coverage– Sophisticated differentiation algorithms– Accurate and novel compiler analysis– Innovative templating mechanism– Efficient forward and reverse modes
AD: Application Highlight
Runtime (m:s) Ratio Memory
Simulation alone 2:20 1.0 —
Basic adjoint 143:37 61.6 6.87M
Improved checkpointing 141:20 60.6 21.44M
Add compiler analysis 21:51 9.4 3.17M
Finite differences 23 days 14,400 —
Sensitivity of flow through Drake passage to bottom topography, using MIT shallow water model
AD: Future Capabilities
• C/C++: ADIC 2.x– Enhanced support for C++ (basic templating, operator
overloading)
• Fortran 90: OpenAD/F– Improved language coverage (user-defined types, pointers, etc.)
• Both tools– New differentiation algorithms– New checkpointing mechanisms– Advanced compiler analysis– Efficient forward and reverse modes– Integration with CSCAPES coloring algorithms– Ease of use through integration with PETSc and Zoltan toolkits
Load Balancing: Introduction
Goals:• Provide software and algorithms for load balancing
(partitioning) that can easily be used by parallel applications.
• Load balancing: distribute work evenly among processors while minimizing communication cost. Reduces parallel run time.
• Static load balancing (often called “partitioning”)– Application computation and communication patterns do not
change– Partition and distribute data once
• Dynamic load balancing– In dynamic or adaptive applications, computation and
communication change over time.– Load balancing should be invoked at certain intervals.– Try to reduce data migration (application data to move)
Load Balancing: Current Capabilities
• Zoltan: Software toolkit for parallel data management and load balancing– Available at http://www.cs.sandia.gov/Zoltan
• Collection of many load-balancing methods– Geometric: RCB, space filling curves– Graph and hypergraph partitioning
• Data-structure neutral interface– Call-back functions– Single, common interface for many methods
• Allows applications to “plug and play”
• Portable, parallel code (MPI)– Used in many DOE and Sandia applications – Can run on thousands of processors
• Large variety of applications, requirements, data structures.
Multiphysics simulations
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Linear solvers & preconditioners
Adaptive mesh refinement
Crash simulations
Particle methods
Parallel electronics networks
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VsSOURCE_VOLTAGE
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RsR
12 Cm012
C
12
Rg02R
12
Rg01R
12 C01
C
12 C02
C12
L2
INDUCTOR
12L1
INDUCTOR
12R1
R
12R2
R1
2
RlR
12
Rg1R
12
Rg2R
12 C2
C1
2 C1C
12 Cm12
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Cell Modeling
Load Balancing: Applications
Load Balancing: Future Capabilities
• Scalable hypergraph partitioning– Hypergraphs accurately model communication volume– We aim to improve scalability to thousands of processors
• 2d matrix partitioning– Reduce communication compared to standard 1d distribution
• Multiconstraint partitioning– Multi-physics simulation
• Complex objectives partitioning– E.g., simultaneously balance computation and memory
• Parallel sparse matrix ordering (nested dissection)
Reordering Transformations: Introduction
• Irregular memory access patterns make performance sensitive to data and iteration orders
• Run-time reordering transformations schedule data accesses and iterations to maximize performance
• Preliminary work on reordering heuristics shows that hypergraph models outperform graph models
• Full sparse tiling: new inspector/executor strategy that exploits inter-iteration locality
RT: Current Capabilities
• Open source package implementing several data and iteration reordering heuristics: Data_N_Comp_Reorder
• Data reordering heuristics– Breadth first search (graph-based)– Consecutive packing– Partitioning (graph-based)– Breadth first search (hypergraph-based)– Consecutive packing (hypergraph-based)– Partitioning (hypergraph-based)
• Iteration reordering heuristics– Breadth first search (hypergraph-based)– Lexicographical sorting and various approximations– Consecutive packing (hypergraph-based)– Partitioning (hypergraph-based)
• Full sparse tiling implementation for model problems
RT: Application Highlight
• Reordering for a mesh-quality improvement code (FeasNewt – T. Munson)
• Hypergraph-BFS data reordering coupled with Cpack iteration reordering offers best performance
• Reordering leads to performance within 90% of memory bandwidth limit for sparse matvec
0
500
1000
1500
2000
2500
Hessian Gradient Matmul
Peak
Memory BandwidthLimit
Original
Reordered
RT: Future Capabilities
• New hypergraph-based runtime reordering transformations
• Comparison between hypergraph-based and bipartite graph-based runtime reordering transformations
• Hypergraph partitioners for load balancing modified to work well for reordering transformations
• Hierarchical full sparse tiling for hierarchical parallel systems
Graph Coloring and Matching: Introduction
• Graph coloring deals with partitioning a set of binary-related objects into few groups of “independent” objects
• Sparsity exploitation in computation of Jacobians and Hessians leads to a variety of graph coloring problems. Sources of problem variations:– Unsymmetric vs symmetric matrix– Direct vs substitution method – Uni- vs bi-directional partitioning
1d partition 2d partition
Jacobian Distance-2 coloring
Star bicoloring
Direct
Hessian Star coloring NA Direct
Jacobian NA Acyclic bicoloring
Subst
Hessian Acyclic coloring NA Subst
• Matching deals with finding a “large” set of independent edges in a graph• Variant matching problems occur in load-balancing, process scheduling,
linear solvers, preconditioners, etc. • Orthogonal sources of variation in matching problems:
• Bipartite vs general graphs• Cardinality vs weighted problems
GCM: Current Capabilities
• Coloring Serial:– Developed novel (greedy) algorithms for distance-1, distance-2,
star and acyclic coloring problems. A package implementing these algorithms and corresponding variant ordering routines available.
Parallel: – Developed a scheme for parallelizing greedy coloring algorithms
on distributed-memory computers. MPI implementations of distance-1 and distance-2 coloring made available via Zoltan.
• Matching– Algorithms that compute optimal solutions for matching problems
are polynomial in time, but slow and difficult to parallelize.– High quality approximate solutions can be computed in (near)
linear time. Approximation techniques make parallelization easier. – Developed fast approximation algorithms for several matching
problems.– Efficient implementations of exact matching algorithms available.
GCM: Application Highlights
• Coloring– Automatic differentiation (sparse Jacobians and Hessians)– Parallel computation (discovery of concurrency, data migration)– Frequency allocation– Register allocation in compilers, etc
• Matching – Numerical preprocessing in sparse linear systems:
• permute a matrix such that its diagonal or block diagonal are heavy.
– Block triangular decomposition in sparse linear systems:• decompose a system of equations into smaller sets of systems.
– Graph partitioning: • guide the coarsening phase of multilevel graph partitioning methods.
GCM: Future Capabilities
• Develop and implement star and acyclic bicoloring algorithms for Jacobian computation
• Develop parallel algorithms that scale to thousands of processors for the various coloring problems (distance-1, distance-2, star, acyclic)
• Integrate coloring software with automatic differentiation tools
• Develop petascale parallel matching algorithms based on approximation techniques