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Sequential Least Squares Programming (SLSQP) optimizer implemented in pure JAX

Project description

slsqp-jax

Build Documentation codecov License: MIT PyPI - Version Open In Colab

A pure-JAX implementation of the SLSQP (Sequential Least Squares Quadratic Programming) algorithm for constrained nonlinear optimization, designed for moderate to large decision spaces (5,000–50,000 variables). All linear algebra is performed through JAX, so the solver runs natively on CPU, GPU, and TPU, and is fully compatible with jax.jit, jax.vmap, and jax.grad.

The SLSQP solver is built on top of Optimistix, a JAX library for nonlinear solvers. It implements the optimistix.AbstractMinimiser interface, so you run it through the standard optimistix.minimise entry point — no manual iteration loop required.

Installation

You can install the package from PyPI using any standard method:

pip

pip install slsqp-jax

uv

uv add "slsqp-jax"

pixi

pixi add --pypi slsqp-jax

Usage

Basic: objective and constraints

Define an objective function with signature (x, args) -> (scalar, aux) and optional constraint functions with signature (x, args) -> array. Equality constraints must satisfy c_eq(x) = 0 and inequality constraints must satisfy c_ineq(x) >= 0.

Then create an SLSQP solver and pass it to optimistix.minimise:

import jax.numpy as jnp
import optimistix as optx
from slsqp_jax import SLSQP

# Objective: minimize x^2 + y^2
def objective(x, args):
    return jnp.sum(x**2), None

# Equality constraint: x + y = 1
def eq_constraint(x, args):
    return jnp.array([x[0] + x[1] - 1.0])

# Inequality constraint: x >= 0.2
def ineq_constraint(x, args):
    return jnp.array([x[0] - 0.2])

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    ineq_constraint_fn=ineq_constraint,
    n_ineq_constraints=1,
    rtol=1e-8,
    atol=1e-8,
)

x0 = jnp.array([0.5, 0.5])
sol = optx.minimise(objective, solver, x0, has_aux=True, max_steps=100)

print(sol.value)   # [0.2, 0.8]
print(sol.result)  # RESULTS.successful

The returned optimistix.Solution object contains:

  • sol.value — the optimal point.
  • sol.result — a status code (RESULTS.successful or an error).
  • sol.aux — any auxiliary data returned by the objective.
  • sol.stats — solver statistics (e.g. number of steps taken).
  • sol.state — the final internal solver state.

Since SLSQP is a standard Optimistix minimiser, it composes with all Optimistix features: throw=False for non-raising error handling, custom adjoint methods for differentiating through the solve, and so on. See the Optimistix documentation for details.

Supplying gradients and Jacobians

By default the solver computes the objective gradient via jax.grad and constraint Jacobians via jax.jacrev. You can supply your own functions to avoid redundant computation or to handle functions that are not reverse-mode differentiable:

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    # User-supplied gradient: (x, args) -> grad_f(x)
    obj_grad_fn=my_grad_fn,
    # User-supplied Jacobian: (x, args) -> J(x)  shape (m, n)
    eq_jac_fn=my_eq_jac_fn,
)
sol = optx.minimise(objective, solver, x0, has_aux=True, max_steps=100)

Supplying Hessian-vector products

For problems where you have access to exact second-order information, you can supply Hessian-vector product (HVP) functions. The solver uses these to produce high-quality secant pairs for the L-BFGS Hessian approximation, which typically improves convergence compared to using gradient differences alone:

# Objective HVP: (x, v, args) -> H_f(x) @ v
def obj_hvp(x, v, args):
    return 2.0 * v  # Hessian of sum(x^2) is 2*I

# Per-constraint HVP: (x, v, args) -> array of shape (m, n)
# Row i is H_{c_i}(x) @ v
def eq_hvp(x, v, args):
    return jnp.zeros((1, x.shape[0]))  # Linear constraint has zero Hessian

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    obj_hvp_fn=obj_hvp,
    eq_hvp_fn=eq_hvp,  # Optional — AD fallback is used if omitted
)
sol = optx.minimise(objective, solver, x0, has_aux=True, max_steps=100)

Note that you supply HVPs for the objective and constraint functions separately, not for the Lagrangian. The solver composes the Lagrangian HVP internally using the current KKT multipliers:

$$ \nabla^2 L(x) v = \nabla^2 f(x) v - \sum_i \lambda_i^{\text{eq}} \nabla^2 c_i^{\text{eq}}(x) v - \sum_j \mu_j^{\text{ineq}} \nabla^2 c_j^{\text{ineq}}(x) v $$

If you provide obj_hvp_fn but omit the constraint HVP functions, the solver automatically computes the missing constraint HVPs via forward-over-reverse AD on the scalar function $\lambda^T c(x)$, which costs one reverse pass plus one forward pass regardless of the number of constraints.

Frozen Hessian in the QP subproblem: The QP inner loop always uses a frozen L-BFGS approximation to the Lagrangian Hessian, even when exact HVPs are available. The exact HVP is called only once per main iteration (to probe along the step direction and produce an exact secant pair for the L-BFGS update). This design ensures (1) the QP subproblem sees a truly constant quadratic model, and (2) expensive HVP evaluations are not repeated thousands of times inside the projected CG solver.

Box constraints (bounds)

You can specify simple lower and upper bounds on decision variables using the bounds parameter:

import jax.numpy as jnp

bounds = jnp.array([
    [0.0, 1.0],      # 0 <= x_0 <= 1
    [-jnp.inf, 5.0], # x_1 <= 5 (no lower bound)
    [0.0, jnp.inf],  # x_2 >= 0 (no upper bound)
])

solver = SLSQP(bounds=bounds)

Bounds play a dual role in the solver, following the projected-SQP methodology (Heinkenschloss & Ridzal, Projected Sequential Quadratic Programming Methods, SIAM J. Optim., 1996):

  1. QP inequality constraints — inside the QP subproblem, bounds are linearised as ordinary inequality constraints so the search direction is aware of the feasible box.
  2. Hard projection — after every line search step (and at initialisation), the iterate is projected (clipped) onto the feasible box. This guarantees that the objective and constraint functions are never evaluated outside the bounds, which is critical when those functions are undefined or ill-conditioned outside the box (e.g. a log-likelihood with positivity constraints on its parameters).

Algorithm

Overview

Each SLSQP iteration performs four steps:

  1. QP subproblem: Construct a quadratic approximation of the objective using the frozen L-BFGS Hessian and linearise the constraints around the current point. Solve the resulting QP to obtain a search direction.
  2. Line search: Use a Han-Powell L1 merit function $\phi(x;\rho) = f(x) + \rho (\lVert c_{\text{eq}}\rVert_1 + \lVert\max(0, -c_{\text{ineq}})\rVert_1)$ with backtracking Armijo conditions to determine the step size.
  3. Accept step: Update the iterate $x_{k+1} = x_k + \alpha d_k$.
  4. Hessian update: Append the new curvature pair $(s, y)$ to the L-BFGS history, where $y$ is either an exact HVP probe $\nabla^2 L(x_k) s$ (if HVP functions are provided) or the gradient difference $\nabla L(x_{k+1}) - \nabla L(x_k)$.

Scaling considerations: why L-BFGS over BFGS

Classical SLSQP (e.g. SciPy's implementation) maintains a dense $n \times n$ BFGS approximation to the Hessian of the Lagrangian. This requires $O(n^2)$ memory and $O(n^2)$ work per iteration for the matrix update alone. For the target problem sizes:

n Dense Hessian memory L-BFGS memory (k=10)
1,000 8 MB 160 KB
10,000 800 MB 1.6 MB
50,000 20 GB 8 MB

L-BFGS stores only the last $k$ step/gradient-difference pairs $(s_i, y_i)$ and computes Hessian-vector products in $O(kn)$ time using the compact representation (Byrd, Nocedal & Schnabel, 1994):

$$ B_k = \gamma I - W N^{-1} W^T $$

where $W = (\gamma S, Y)$ is the horizontal concatenation of matrices $\gamma S$ and $Y$, and $N$ is a small $2k \times 2k$ matrix built from inner products of the stored vectors. The $2k \times 2k$ system is solved directly — negligible cost for $k << n$.

Powell's damping is applied to each curvature pair before storage to ensure positive definiteness, which is essential for constrained problems where the standard curvature condition $s^T y > 0$ can fail.

Scaling considerations: why projected CG over dense KKT

Classical SLSQP solves the QP subproblem by forming and factorising the $(n + m) \times (n + m)$ dense KKT system at $O(n^3)$ cost. This implementation instead uses projected conjugate gradient (CG) inside an active-set loop:

  1. Projection: For active constraints with matrix $A$ ($m_{\text{active}} \times n$), define the null-space projector $P(v) = v - A^T (A A^T)^{-1} A v$. The $A A^T$ system is only $m_{\text{active}} \times m_{\text{active}}$ (tiny, since $m << n$) and is solved directly.
  2. CG in null space: Run conjugate gradient on the projected system, where each iteration requires one HVP ($O(kn)$ for L-BFGS) and one projection ($O(mn)$).
  3. Active-set outer loop: Add the most violated inequality or drop the most negative multiplier until KKT conditions are satisfied.

Total cost per QP solve: $O(n \cdot k \cdot t)$, where $t$ is the number of CG iterations (typically $t << n$). Compared to $O(n^3)$ for the dense approach, this is orders of magnitude faster for $n > 1000$.

Reverse-mode AD and while_loop

By default, the solver computes:

  • Objective gradient via jax.grad (reverse-mode).
  • Constraint Jacobians via jax.jacrev (reverse-mode, $O(m)$ passes — faster than jax.jacfwd's $O(n)$ passes when $m << n$).
  • HVP fallback via jax.jvp(jax.grad(f), ...) (forward-over-reverse).

All of these require reverse-mode differentiation through the user's functions. JAX's reverse-mode AD does not support differentiating through jax.lax.while_loop or other variable-length control flow primitives. If your objective or constraint functions contain while_loop, scan with variable-length carries, or other non-reverse-differentiable operations, the AD fallback will fail.

How to handle this: supply your own derivative functions via the optional fields on SLSQP:

solver = SLSQP(
    obj_grad_fn=my_custom_grad,        # bypass jax.grad
    eq_jac_fn=my_custom_eq_jac,        # bypass jax.jacrev
    ineq_jac_fn=my_custom_ineq_jac,    # bypass jax.jacrev
    obj_hvp_fn=my_custom_obj_hvp,      # bypass forward-over-reverse
    eq_hvp_fn=my_custom_eq_hvp,        # bypass forward-over-reverse
    ineq_hvp_fn=my_custom_ineq_hvp,    # bypass forward-over-reverse
    ...
)

When all derivative functions are supplied, the solver never calls jax.grad, jax.jacrev, or jax.jvp on your functions, so while_loop and other control flow work without issue. Alternatively, if only the HVP functions are problematic, you can supply obj_grad_fn and the Jacobian functions (which only require first-order derivatives) and let the solver fall back to L-BFGS mode (no HVPs needed) by omitting obj_hvp_fn.

Convergence safeguards

The solver includes safeguards against premature termination, a known issue in SciPy's SLSQP where the optimizer can terminate after a single iteration when the initial point exactly satisfies equality constraints:

  • Minimum iterations (min_steps, default 1): The solver will not declare convergence before completing at least min_steps iterations. This ensures that KKT multipliers have been computed by at least one QP solve before checking KKT optimality conditions.

  • Initial multiplier estimation: When equality constraints are present, the initial Lagrange multipliers are estimated via least-squares rather than being set to zero. This prevents the Lagrangian gradient from collapsing to the objective gradient at the first convergence check.

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    min_steps=1,  # Default; set to 0 to allow convergence at step 0
)

QP anti-cycling: the EXPAND procedure

The QP subproblem is solved by a primal active-set method that adds or removes inequality constraints one at a time. When the problem is degenerate — multiple constraints pass through the same vertex or have tied violation/multiplier values — the active-set loop can cycle: iteration $i$ activates a constraint, iteration $i+1$ drops it, iteration $i+2$ re-activates it, and so on. The QP then exhausts its iteration budget without converging, producing a poor search direction.

This implementation uses the EXPAND procedure (Gill, Murray, Saunders & Wright, Mathematical Programming 45, 1989) to break such cycles. The idea is simple: instead of a fixed feasibility tolerance, the active-set loop maintains a working tolerance that grows monotonically:

$$ \delta_k = \texttt{tol} + k \cdot \tau, \qquad \tau = \frac{\texttt{tol} \cdot \texttt{expand_factor}}{\texttt{max_iter}} $$

At each active-set iteration $k$:

  • A constraint is considered violated only if its residual is below $-\delta_k$ (progressively stricter threshold for activation).
  • A multiplier is considered negative only if it is below $-\delta_k$ (progressively stricter threshold for deactivation).

Because $\delta_k$ increases at every step, marginally active or marginally infeasible constraints that cause cycling are gradually excluded, breaking the degeneracy. With the default settings (expand_factor=1.0, tol=1e-8, max_iter=100), the tolerance doubles from tol to 2·tol over the full iteration budget — conservative enough to preserve solution quality while reliably eliminating cycles.

EXPAND is the standard anti-cycling technique used in production solvers (MINOS, SNOPT, SQOPT) and is backed by a convergence guarantee: strict objective decrease within each expanding sequence. The expand_factor parameter on solve_qp controls the growth rate; set it to 0.0 to disable expansion entirely.

Multiplier stability and convergence rate

Wright (Properties of the Log-Barrier Function on Degenerate Nonlinear Programs, SIAM J. Optim., 2002, Theorem 5.3) proved that the convergence rate of SQP methods depends critically on multiplier stability: the rate at which Lagrange multipliers change between successive iterations. Specifically, superlinear convergence requires $\lVert \lambda_k - \lambda_{k+1} \rVert = O(\delta)$ where $\delta$ is the step norm. When the QP subproblem is degenerate, the multiplier solution may not be unique, and arbitrary choices across iterations can destroy this stability — even though the primal iterates converge.

This implementation promotes multiplier stability through active-set warm-starting: the final active set from each QP solve is passed as the initial guess for the next outer iteration's QP subproblem. Because the active set carries implicit information about which multipliers are nonzero, reusing it across iterations biases the QP toward consistent multiplier selections. This is the same strategy used by production SQP codes such as SNOPT (Gill, Murray & Saunders, 2005).

For pathological cases where warm-starting is insufficient, the solver provides proximal multiplier stabilization (see next section).

Proximal multiplier stabilization (sSQP)

When the QP subproblem is highly degenerate — for example, when SciPy's SLSQP reports "Inequality constraints incompatible" — the standard active-set method can cycle indefinitely, exhausting its iteration budget and producing a poor search direction. The solver then stagnates because the corrupted multipliers yield an inaccurate Lagrangian gradient.

The stabilized SQP (sSQP) formulation (Hager, Computational Optimization and Applications, 12(1–3), 1999; Wright, Mathematics of Operations Research, 27(3), 2002, Section 6) addresses this by absorbing equality constraints into the QP objective via an augmented-Lagrangian penalty. The standard QP subproblem

$$ \min_d \tfrac{1}{2} d^T B d + g^T d \quad \text{s.t. } A_{\text{eq}}, d = b_{\text{eq}},; A_{\text{ineq}}, d \geq b_{\text{ineq}} $$

is replaced by

$$ \min_d \tfrac{1}{2} d^T \widetilde{B}, d + \widetilde{g}^T d \quad \text{s.t. } A_{\text{ineq}}, d \geq b_{\text{ineq}} $$

where

$$ \widetilde{B}(v) = B v + \frac{1}{\sigma}, A_{\text{eq}}^T (A_{\text{eq}}, v), \qquad \widetilde{g} = g - \frac{1}{\sigma}, A_{\text{eq}}^T b_{\text{eq}} - A_{\text{eq}}^T \lambda_k^{\text{eq}} $$

Here $\sigma > 0$ is the stabilization parameter and $\lambda_k^{\text{eq}}$ are the equality multipliers from the previous outer iteration. The term $\tfrac{1}{\sigma} A_{\text{eq}}^T A_{\text{eq}}$ regularizes the reduced Hessian in the equality-constraint normal directions, making the dual solution unique even at degenerate vertices. Equality multipliers are recovered from the penalty optimality condition:

$$ \lambda_{\text{eq}} = \lambda_k^{\text{eq}} - \frac{1}{\sigma}\bigl(A_{\text{eq}}, d - b_{\text{eq}}\bigr) $$

Larger $\sigma$ means more relaxation (softer equality enforcement); smaller $\sigma$ tightens toward the standard hard-constraint QP. Near convergence, $b_{\text{eq}} = -c_{\text{eq}}(x_k) \to 0$ and $d \to 0$, so the penalty vanishes and constraint satisfaction is asymptotically exact.

Inequality constraints remain as hard constraints in the active-set method — the EXPAND procedure and warm-starting already handle inequality cycling. The equality absorption is the primary mechanism because it addresses QP infeasibility at degenerate vertices.

To enable proximal stabilization, set proximal_sigma to a positive value (recommended range: $[10^{-4}, 10^{-1}]$):

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    ineq_constraint_fn=ineq_constraint,
    n_ineq_constraints=3,
    proximal_sigma=0.01,   # Enable sSQP stabilization
)

When proximal_sigma=0 (the default), the solver uses the standard hard-constraint QP and no stabilization overhead is incurred.

Preconditioning the CG solver

When the L-BFGS scaling $\gamma$ is small (common after a few iterations) and proximal stabilization adds a $(1/\sigma), A_{\text{eq}}^T A_{\text{eq}}$ term to the Hessian, the effective condition number of the QP subproblem can reach $O(10^5)$ or higher. Standard (unpreconditioned) CG requires $O(\sqrt{\kappa})$ iterations to converge — far exceeding the default CG budget of 50 iterations. The result is an inaccurate QP solution, which corrupts the search direction and causes the outer solver to stagnate.

This implementation uses preconditioned conjugate gradient (PCG) with the L-BFGS inverse Hessian as preconditioner. The key insight is that the L-BFGS pairs $(s_i, y_i)$ already stored in the history buffer can be used to compute $H_k v = B_k^{-1} v$ via the two-loop recursion (Nocedal & Wright, Algorithm 7.4) in $O(kn)$ time — the same cost as the forward HVP.

When the preconditioner $M = B^{-1}$ is used:

  • Without proximal term: $M B = I$, so PCG converges in 1 iteration (perfect preconditioning).
  • With proximal term: $M \widetilde{B} = I + (1/\sigma), H_k, A_{\text{eq}}^T A_{\text{eq}}$, and the condition number depends only on the proximal contribution, not the raw Hessian — typically orders of magnitude better.

For projected (constrained) CG, the preconditioner is applied as $z = P(M(P(r)))$, where $P$ is the null-space projector. The extra projection ensures the preconditioned direction stays in the feasible subspace (Nocedal & Wright, Chapter 16).

Preconditioning is enabled by default (use_preconditioner=True). Robust SPD guards ensure that if the preconditioner produces a non-positive-definite result for any residual, CG silently falls back to unpreconditioned mode for that step.

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    use_preconditioner=True,   # Default; set False to disable
    adaptive_cg_tol=False,     # Default; set True for Eisenstat-Walker tolerance
)

Adaptive CG tolerance (Eisenstat-Walker). When adaptive_cg_tol=True, the CG convergence tolerance is adapted based on the outer KKT residual: $\eta_k = \min(0.1,, \max(\texttt{atol},, \lVert \nabla_x L \rVert))$. This avoids over-solving early QPs (when the outer iterate is far from optimal) and tightens the tolerance as convergence proceeds (Eisenstat & Walker, SIAM J. Sci. Comput., 17(1), 1996). This is off by default to preserve baseline convergence behavior.

Why not rational CG? We evaluated the rational conjugate gradient method (Kindermann & Zellinger, arXiv:2306.03670, 2023), which alternates CG steps with Tikhonov regularization steps in a mixed rational Krylov space. It is designed for ill-posed inverse problems with compact operators, not finite-dimensional positive definite QPs. Each rational step requires an inner solve of $(B + \alpha I)^{-1} v$, the regularization parameters need spectrum knowledge, and adapting the method to null-space projection is non-trivial. Standard PCG is simpler, cheaper, and directly addresses the ill-conditioning source.

Outer-loop stagnation detection

Even with anti-cycling in the QP, the outer SLSQP loop can fail to make progress — for example, when the problem is infeasible, highly degenerate, or the QP solution is of poor quality. The solver detects this by tracking the L1 merit function across iterations:

$$ \phi(x; \rho) = f(x) + \rho \bigl(\lVert c_{\text{eq}}(x) \rVert_1 + \lVert \max(0, -c_{\text{ineq}}(x)) \rVert_1\bigr) $$

After each step, the relative improvement in the merit value is computed:

$$ \text{rel_improvement} = \frac{|\phi_{k-1} - \phi_k|}{\max(|\phi_{k-1}|,, 1)} $$

If this falls below stagnation_tol for stagnation_patience consecutive iterations, the solver terminates early with a nonlinear_divergence result code rather than running until max_steps. This avoids wasting computation on a problem the solver cannot solve.

solver = SLSQP(
    eq_constraint_fn=eq_constraint,
    n_eq_constraints=1,
    stagnation_tol=1e-12,    # Minimum relative merit improvement
    stagnation_patience=5,   # Consecutive stagnant steps before failure
)

The stagnation count and last step size are included in sol.stats for diagnostics:

sol = optx.minimise(objective, solver, x0, has_aux=True, max_steps=100, throw=False)
print(sol.stats["stagnation_count"])  # 0 if converged normally
print(sol.stats["last_step_size"])    # Step size from final iteration

License

MIT

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