matfree.stochtrace
matfree.stochtrace
Stochastic estimation of traces, diagonals, and more.
matfree.stochtrace.estimator_leave_one_out(integrand: Callable, /, sampler: Callable) -> Callable
Construct a leave-one-out stochastic estimator.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
integrand
|
Callable
|
An integrand that accepts |
required |
sampler
|
Callable
|
The sample function, e.g. the return-value of sampler_normal or sampler_signs. |
required |
Returns:
| Type | Description |
|---|---|
estimate
|
A function |
Source code in matfree/stochtrace.py
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matfree.stochtrace.estimator_leave_one_out_mean_and_sem(integrand: Callable, /, sampler: Callable) -> Callable
Construct a LOO estimator that returns mean and standard error.
Like estimator_leave_one_out,
but returns (mean, sem) where sem = std(loo_estimates) / sqrt(num_samples).
The LOO integrand produces one estimate per leave-one-out, so their
standard deviation is a natural uncertainty measure.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
integrand
|
Callable
|
Any integrand compatible with estimator_leave_one_out. |
required |
sampler
|
Callable
|
The sample function. |
required |
Returns:
| Type | Description |
|---|---|
estimate
|
A function that returns |
Source code in matfree/stochtrace.py
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matfree.stochtrace.estimator_monte_carlo(integrand: Callable, /, sampler: Callable) -> Callable
Construct a stochastic trace-/diagonal-estimator.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
integrand
|
Callable
|
An integrand function with signature |
required |
sampler
|
Callable
|
The sample function. See below for recommendations. |
required |
Returns:
| Type | Description |
|---|---|
estimate
|
A function that maps a random key to an estimate. This function can be compiled, vectorised, differentiated, or looped over as the user desires. |
Notes
The statistical efficiency of the estimator for a given sampler depends on properties
of the operator, but we can provide some general advice. For an n-dimensional operator (see references):
- n > O(100), use sampler_signs.
- n < O(100), use sampler_signs if the operator is known to be diagonal-dominant or sampler_sphere otherwise.
- If the operator is complex-valued, pass a complex dtype to the sampler to approximately double the efficiency.
References
- Epperly, E. (2023). Stochastic trace estimation.
- Epperly, E. (2024). Don't use Gaussians in stochastic trace estimation.
Source code in matfree/stochtrace.py
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matfree.stochtrace.estimator_monte_carlo_mean_and_sem(integrand: Callable, /, sampler: Callable) -> Callable
Construct a stochastic estimator that returns mean and standard error.
Like estimator_monte_carlo,
but returns (mean, sem) where sem = std(samples) / sqrt(num_samples)
is the standard error of the mean -- the direct uncertainty on the estimate.
The number of samples is already encoded in the sampler,
so the caller does not need to track it separately.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
integrand
|
Callable
|
Any integrand compatible with estimator_monte_carlo. |
required |
sampler
|
Callable
|
The sample function. See estimator_monte_carlo for recommendations. |
required |
Returns:
| Type | Description |
|---|---|
estimate
|
A function that returns |
Source code in matfree/stochtrace.py
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matfree.stochtrace.leave_one_out_xdiag() -> Callable
Construct an integrand for estimating the diagonal using the XDiag algorithm (Epperly et al. 2024).
Returns:
| Type | Description |
|---|---|
integrand
|
An integrand function compatible with
estimator_leave_one_out
whose input has the signature |
Notes
The number of samples must be less than or equal to the dimension of the operator.
The sum of the diagonal estimate over all entries is an unbiased estimate of the trace but generally has higher variance than the estimate produced by leave_one_out_xnystrace.
References
- Epperly EN, Tropp JA, Webber RJ (2024). XTrace: Making the most of every sample in stochastic trace estimation. SIAM J Matrix Anal A. 45.1: 1-23. doi: 10.1137/23M1548323 arXiv: 2301.07825
- Epperly EN (2025). Make the most of what you have: Resource-efficient randomized algorithms for matrix computations. PhD Thesis. arXiv: 2512.15929
Source code in matfree/stochtrace.py
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matfree.stochtrace.leave_one_out_xnysdiag(*, nystrom: Callable[[Callable, Array], tuple[Array, Array, Array]] | None = None) -> Callable
Construct an integrand for estimating the diagonal of a positive semi-definite operator using the XNysDiag algorithm (Epperly et al. 2025).
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
nystrom
|
Callable[[Callable, Array], tuple[Array, Array, Array]] | None
|
A callable with signature |
None
|
Returns:
| Type | Description |
|---|---|
integrand
|
An integrand function compatible with
estimator_leave_one_out
whose input has the signature |
Notes
The number of samples must be less than or equal to the dimension of the operator. The output diagonal is real-valued (PSD operators have real diagonal).
The sum of the diagonal estimate over all entries equals the corresponding
leave_one_out_xnystrace
trace estimate exactly for the same operator and samples (when apply_resphering=False).
References
- Epperly EN (2025). Make the most of what you have: Resource-efficient randomized algorithms for matrix computations. PhD Thesis. arXiv: 2512.15929
Source code in matfree/stochtrace.py
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matfree.stochtrace.leave_one_out_xnystrace(*, nystrom: Callable[[Callable, Array], tuple[Array, Array, Array]] | None = None, apply_resphering: bool = True, qr_r: Callable[[Array], Array] | None = None) -> Callable
Construct an integrand for estimating the trace of a positive semi-definite operator using the XNysTrace algorithm (Epperly et al. 2024).
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
nystrom
|
Callable[[Callable, Array], tuple[Array, Array, Array]] | None
|
A callable with signature |
None
|
apply_resphering
|
bool
|
If |
True
|
qr_r
|
Callable[[Array], Array] | None
|
A callable that computes the R factor of a QR decomposition, used if |
None
|
Returns:
| Type | Description |
|---|---|
integrand
|
An integrand function compatible with |
References
- Epperly EN, Tropp JA, Webber RJ (2024). XTrace: Making the most of every sample in stochastic trace estimation. SIAM J Matrix Anal A. 45.1: 1-23. doi: 10.1137/23M1548323 arXiv: 2301.07825
- Epperly EN (2025). Make the most of what you have: Resource-efficient randomized algorithms for matrix computations. PhD Thesis. arXiv: 2512.15929
Source code in matfree/stochtrace.py
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matfree.stochtrace.leave_one_out_xrownorms_squared() -> Callable
Construct an integrand for estimating squared row norms using the XRowNorm algorithm (Epperly, 2025).
Returns:
| Type | Description |
|---|---|
integrand
|
An integrand function compatible with
estimator_leave_one_out
whose input has the signature |
Notes
To estimate squared column norms instead, pass the adjoint (i.e. conjugate-transpose-conjugate) of the matvec (
see [func.linear_adjoint][matfree.func.linear_adjoint]).
For normal operators (those that commute with their adjoint), leave_one_out_xsymrownorms_squared, performs only 2/3 of the matvecs per sample compared to this algorithm but is typically less accurate per sample.
References
- Epperly EN (2025). Make the most of what you have: Resource-efficient randomized algorithms for matrix computations. PhD Thesis. arXiv: 2512.15929
Source code in matfree/stochtrace.py
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matfree.stochtrace.leave_one_out_xsymrownorms_squared() -> Callable
Construct an integrand for estimating squared row norms of a normal operator using the XSymRowNorm algorithm (Epperly, 2025).
Returns:
| Type | Description |
|---|---|
integrand
|
An integrand function compatible with
estimator_leave_one_out
whose input has the signature |
Notes
For normal operators, the row and column norms are equal, so this algorithm can also be used to estimate squared column norms.
For general (non-normal) operators, use leave_one_out_xrownorms_squared.
References
- Epperly EN (2025). Make the most of what you have: Resource-efficient randomized algorithms for matrix computations. PhD Thesis. arXiv: 2512.15929
Source code in matfree/stochtrace.py
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matfree.stochtrace.leave_one_out_xtrace(*, apply_resphering: bool = True) -> Callable
Construct an integrand for estimating the trace using the XTrace algorithm (Epperly et al. 2024).
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
apply_resphering
|
bool
|
If |
True
|
Returns:
| Type | Description |
|---|---|
integrand
|
An integrand function compatible with |
Notes
The number of samples must be less than or equal to the dimension of the operator.
Additionally, the algorithm assumes that the samples are unique. For low-dimensional
operators, samples generated from sampler_signs may violate this assumption, and
it is recommended to use a different sampler instead.
References
- Epperly EN, Tropp JA, Webber RJ (2024). XTrace: Making the most of every sample in stochastic trace estimation. SIAM J Matrix Anal A. 45.1: 1-23. doi: 10.1137/23M1548323 arXiv: 2301.07825
- Epperly EN (2025). Make the most of what you have: Resource-efficient randomized algorithms for matrix computations. PhD Thesis. arXiv: 2512.15929
Source code in matfree/stochtrace.py
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matfree.stochtrace.monte_carlo_diagonal()
Construct the integrand for estimating the diagonal.
Use with estimator_monte_carlo.
The result will be an Array or PyTree of Arrays with the same tree-structure as
matvec(*args_like) where *args_like is an argument of the sampler.
Source code in matfree/stochtrace.py
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matfree.stochtrace.monte_carlo_frobeniusnorm_squared()
Construct the integrand for estimating the squared Frobenius norm.
Use with estimator_monte_carlo.
Source code in matfree/stochtrace.py
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matfree.stochtrace.monte_carlo_rownorms_squared()
Construct the integrand for estimating the squared row norms.
Use with estimator_monte_carlo.
Notes
To estimate squared column norms instead, pass the adjoint (i.e. conjugate-transpose-conjugate) of the matvec.
Source code in matfree/stochtrace.py
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matfree.stochtrace.monte_carlo_trace()
Construct the integrand for estimating the trace.
Use with estimator_monte_carlo.
Source code in matfree/stochtrace.py
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matfree.stochtrace.monte_carlo_trace_and_diagonal()
Construct the integrand for estimating the trace and diagonal jointly.
Use with estimator_monte_carlo.
Source code in matfree/stochtrace.py
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matfree.stochtrace.nystrom_eigh(eigenvalues_rtol: float | None = None, leverage_rtol: float | None = None, symmetrize_input: bool = True)
Construct a Nystrom approximation of an operator using a Hermitian eigendecomposition.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
eigenvalues_rtol
|
float | None
|
A relative tolerance used to determine which eigenvalues are close enough to 0. |
None
|
leverage_rtol
|
float | None
|
A relative tolerance used in computing the leverage scores to determine which test vectors are essential. |
None
|
symmetrize_input
|
bool
|
If |
True
|
Returns:
| Type | Description |
|---|---|
nystrom
|
A function that computes the Nystrom approximation of an operator using a Hermitian eigendecomposition.
The function has the signature |
Source code in matfree/stochtrace.py
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matfree.stochtrace.nystrom_shifted_cholesky(shift: float | None = None, rtol: float | None = None, symmetrize_input: bool = True)
Construct a Nystrom approximation of a shifted operator using a Cholesky decomposition.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
shift
|
float | None
|
A small positive shift to add to the operator to ensure the resulting operator
is positive definite for Cholesky decomposition.
If not provided, the |
None
|
rtol
|
float | None
|
A relative tolerance used in computing the shift. |
None
|
symmetrize_input
|
bool
|
If |
True
|
Returns:
| Type | Description |
|---|---|
nystrom
|
A function that computes the Nystrom approximation of a shifted operator using a Cholesky decomposition.
The function has the signature |
Source code in matfree/stochtrace.py
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matfree.stochtrace.sampler_normal(*args_like, num)
Construct a function that samples from a standard-normal distribution.
Source code in matfree/stochtrace.py
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matfree.stochtrace.sampler_signs(*args_like, num)
Construct a function that samples signs uniformly.
For real dtypes, this samples from a Rademacher distribution (uniformly over {-1, 1}). For complex dtypes, this samples from a Steinhaus distribution on the complex unit circle.
Source code in matfree/stochtrace.py
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matfree.stochtrace.sampler_sphere(*args_like, num)
Construct a function that samples from a unit sphere scaled to have identity covariance.
Source code in matfree/stochtrace.py
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