Merge pull request #920 from microsoft/cgranade/expm-rs

Initial support for matrix inverse in qdk_sim_experimental crate

Author: Cassandra Granade

src/Simulation/qdk_sim_rs/Cargo.toml

@@ -2,16 +2,19 @@
 # Licensed under the MIT License.
 
 [package]
-name = "qdk_sim_experimental"
+name = "qdk_sim_rs"
 version = "0.0.1-alpha"
 authors = ["Microsoft"]
 edition = "2018"
 license = "MIT"
-description = "Experimental simulators for use with the Quantum Development Kit."
+description = "Rust-based simulators for use with the Quantum Development Kit."
 homepage = "https://github.com/microsoft/qsharp-runtime"
 repository = "https://github.com/microsoft/qsharp-runtime"
 readme = "README.md"
 
+# Verified with cargo-msrv.
+rust-version = "1.51.0"
+
 exclude = [
     # Exclude files specific to QDK build pipelines.
     "*.template", "*.csx", "*.ps1", "NuGet.Config", "drop",
@@ -21,72 +24,85 @@ exclude = [
     "*.egg-info", "qdk_sim_experimental", "setup.py", "*.whl", "pyproject.toml"
 ]
 
+# Enable LaTeX on docs.rs.
+# See https://stackoverflow.com/a/54573800/267841 and
+# https://github.com/rust-num/num/pull/226/files for why this works.
+[package.metadata.docs.rs]
+rustdoc-args = [ "--html-in-header", "docs-includes/header.html", "--html-after-content", "docs-includes/after.html" ]
+features = ["document-features"]
+
 [lib]
+crate-type = ["rlib", "staticlib", "cdylib"]
 name = "qdk_sim"
 path = "src/lib.rs"
-crate-type = ["rlib", "staticlib", "cdylib"]
 
 # Optional build-time features: we use this to create Python and WASM bindings.
 [features]
 default = []
-wasm = ["web-sys"]
+
 # When Python bindings are enabled, we also need the pyo3 dependency.
+## Enables Python bindings for this crate.
 python = ["pyo3", "numpy"]
 
-# Enable LaTeX on docs.rs.
-# See https://stackoverflow.com/a/54573800/267841 and
-# https://github.com/rust-num/num/pull/226/files for why this works.
-[package.metadata.docs.rs]
-rustdoc-args = [ "--html-in-header", "docs-includes/header.html", "--html-after-content", "docs-includes/after.html" ]
+## Ensures that the crate is compatible with usage from WebAssembly.
+wasm = ["web-sys"]
 
 
 [profile.release]
-opt-level = 3
 codegen-units = 1   # Reduce number of codegen units to increase optimizations.
+opt-level = 3
 panic = 'unwind'
 
 [dependencies]
-ndarray = { version = "0.15.2", features = ["serde"] }
-num-complex = { version = "0.4", features = ["serde"] }
-num-traits = "0.2"
-derive_more = "0.99.10"
-itertools = "0.9.0"
-rand = { version = "0.7.3", features = ["alloc"] }
-serde = { version = "1.0", features = ["derive"] }
-serde_json = "1.0"
-lazy_static = "1.4.0"
+anyhow = "1.0.56"
+# We use built to expose compile-time metadata about how this crate
+# was built to C and Rust callers.
+built = "0.5.0"
+cauchy = "0.4.0"
 cfg-if = "1.0.0"
-num_enum = "0.5.1"
+derive_more = "0.99.10"
+# We use document-features to automatically generate feature documentation from
+# Cargo.toml, following the example at
+# https://docs.rs/document-features/latest/document_features#examples.
+document-features = { version = "0.2", optional = true }
 # See https://github.com/rust-random/rand/issues/990
 # and https://docs.rs/getrandom/0.1.15/getrandom/index.html#support-for-webassembly-and-asmjs
 # for why this is needed.
 # NB: We depend on 0.1.15, since that's what gets brought in transitively
 #    by rand and rand_core.
 getrandom = { version = "0.1.15", features = ["wasm-bindgen"] }
-
-# We only need web-sys when compiling with the wasm feature.
-web-sys = { version = "0.3.4",  features = ['console'], optional = true }
-
+itertools = "0.9.0"
+lazy_static = "1.4.0"
+miette = "4.3.0"
+ndarray = { version = "0.15.2", features = ["serde"] }
+num-complex = { version = "0.4", features = ["serde"] }
+num-traits = "0.2"
+num_enum = "0.5.1"
+numpy = { version = "0.13.1", optional = true }
 # We only need PyO3 when generating Python bindings. 
 pyo3 = { version = "0.13.2", features = ["extension-module"], optional = true }
-numpy = {version = "0.13.1", optional = true}
+rand = { version = "0.7.3", features = ["alloc"] }
+serde = { version = "1.0", features = ["derive"] }
+serde_json = "1.0"
+thiserror = "1.0.30"
 
-# We use built to expose compile-time metadata about how this crate
-# was built to C and Rust callers.
-built = "0.5.0"
+# We only need web-sys when compiling with the wasm feature.
+web-sys = { version = "0.3.4", features = ['console'], optional = true }
 
 [build-dependencies]
 built = "0.5.0"
 
 
 [dev-dependencies]
+approx = { version = "0.5.1", features = ["num-complex"] }
 assert-json-diff = "2.0.1"
 criterion = { version = "0.3", features = ['html_reports', 'csv_output'] }
+ndarray = { version = "0.15.4", features = ["approx"] }
 
 [[bench]]
-name = "c_api_benchmark"
 harness = false
+name = "c_api_benchmark"
 
 [[bench]]
-name = "microbenchmark"
 harness = false
+name = "microbenchmark"

src/Simulation/qdk_sim_rs/README.md

@@ -4,7 +4,7 @@
          To generate and view the documentation for this crate locally, please
          run:
 
-         $ cargo +nightly doc --features python --open
+         $ cargo doc --features python,document-features --open
 -->
 
 # Quantum Development Kit Preview Simulators
@@ -28,11 +28,6 @@ The [`c_api`] module allows for using the simulation functionality in this crate
 
 Similarly, the [`python`] module allows exposing data structures in this crate to Python programs.
 
-## Cargo Features
-
-- **`python`**: Enables Python bindings for this crate.
-- **`wasm`**: Ensures that the crate is compatible with usage from WebAssembly.
-
 ## Representing quantum systems
 
 This crate provides several different data structures for representing quantum systems in a variety of different conventions:
@@ -148,3 +143,6 @@ TODO
 - Stabilizer simulation not yet exposed via C API.
 - Test and microbenchmark coverage still incomplete.
 - Too many APIs `panic!` or `unwrap`, and need replaced with `Result` returns instead.
+
+# Crate features
+<!-- Note that this section is filled in automatically by document-features. -->

src/Simulation/qdk_sim_rs/benches/microbenchmark.rs

@@ -8,11 +8,13 @@
 //! In particular, optimizing these benchmarks may not translate into improved
 //! performance in user code.
 
+use cauchy::c64;
 use criterion::{criterion_group, criterion_main, Criterion};
+use ndarray::array;
 use qdk_sim::{
     common_matrices,
     common_matrices::nq_eye,
-    linalg::{extend_one_to_n, extend_two_to_n, Tensor},
+    linalg::{extend_one_to_n, extend_two_to_n, Inv, Tensor},
 };
 
 fn linalg(c: &mut Criterion) {
@@ -79,6 +81,68 @@ fn linalg(c: &mut Criterion) {
             let _result = cnot.tensor(&x);
         })
     });
+    group.bench_function("inv 4x4 f64", |b| {
+        let x = array![
+            [
+                0.23935896217435304,
+                0.34333031120985236,
+                0.8201953415286973,
+                0.8074588350909441
+            ],
+            [
+                0.11957583380425751,
+                0.16906445210054732,
+                0.21728173861409317,
+                0.7120594445167554
+            ],
+            [
+                0.04023516190513021,
+                0.9635112441739464,
+                0.9209190516642924,
+                0.114251355434274
+            ],
+            [
+                0.8749507948480983,
+                0.2661348079904513,
+                0.17485566324545554,
+                0.2934138616881069
+            ],
+        ];
+        b.iter(|| {
+            let _inv = x.inv();
+        });
+    });
+    group.bench_function("inv 4x4 c64", |b| {
+        let x = array![
+            [
+                c64::new(0.30874277550419704, 0.8167808814398533),
+                c64::new(0.9303782008146939, 0.8925538040143673),
+                c64::new(0.11573522743286513, 0.6357551264716991),
+                c64::new(0.7869240102858357, 0.28376515716360073)
+            ],
+            [
+                c64::new(0.9638410081049803, 0.4460520369459663),
+                c64::new(0.043516097874141346, 0.1652124014187376),
+                c64::new(0.05938096491956191, 0.7696366269843138),
+                c64::new(0.9636976605227736, 0.8125701401805293)
+            ],
+            [
+                c64::new(0.9548859426476123, 0.7825350828251003),
+                c64::new(0.4223649577868721, 0.4522018603906839),
+                c64::new(0.36001119456757835, 0.22138920205104395),
+                c64::new(0.0044511389785256705, 0.14148562531641973)
+            ],
+            [
+                c64::new(0.6066852151129799, 0.5140547256960247),
+                c64::new(0.23439110687939924, 0.3064074735518828),
+                c64::new(0.9963759728056912, 0.401859040365666),
+                c64::new(0.7176238235495955, 0.3948597214947167)
+            ],
+        ];
+        b.iter(|| {
+            let _inv = x.inv();
+        });
+    });
     group.finish();
 }