Neural Legendre-Fenchel transform with Hessian Preconditioning
Authors: Basile Plus-Gourdon, Frank Nielsen
Organizations: ´Ecole Normale Sup´erieure · Paris-Saclay, France · Sony Computer Science Laboratories Inc. · Tokyo, Japan
Abstract
The Legendre-Fenchel (LF) transform is a fundamental tool in convex analysis and machine learning that maps lower semi-continuous functions to their convex conjugates. In practice, when closed-form formula are not available for expressing convex conjugates of given functions, one must approximate them using various techniques. One recent such versatile numerical method is the deep Legendre transform method which relies on neural networks although it remains challenging particularly for tackling ill-conditioned functions. This work builds on the reformulation of the LF transform as a projective polarity. A notable property of this framework is its affine invariance. We leverage this affine invariance to introduce a Hessian-based preconditioning strategy. Specifically, we apply an affine deformation around a minimizer so that the second-order Taylor approximation of the function coincides with the canonical paraboloid, whose conjugation map is the identity. A residual network initialized near the identity can then learn this simplified mapping, while the original conjugation map is recovered through the inverse deformation. The proposed preconditioning incurs only a modest computational overhead, consisting of a single eigendecomposition during initialization and two matrix-vector multiplications per query. Experiments on a diverse set of convex functions, including high-dimensional benchmarks, demonstrate improved convergence rates and enhanced numerical accuracy of the conjugation, with particularly significant gains for ill-conditioned problems. Finally, we discuss the scope of applicability of our proposed method and highlight several of its limitations.
Mutual information (MI)-inspired feature learning techniques are capable of generating low-dimensional embeddings that retain nonlinear dependence structures, but direct estimations of MI suffer from noisy probability distribution estimates in the low-data regime. The H-Score objective, computed from second-order statistics, provides a practical proxy metric for training feature extraction networks. We prove that H-Score is invariant to invertible transformations in the unrestricted functional setting, but becomes sensitive to input basis rotations under constrained approximation classes. Consequently, we study unitary preconditioning for H-Score networks and show that selecting an appropriate basis rotation reduces finite-width truncation error by concentrating predictive dependence into fewer dominant modes. We identify the fast Fourier transform (FFT) as an effective data-independent, low-cost preconditioner for approximately stationary processes, where spectral structure induces concentration of the cross-covariance singular value spectrum. We introduce training-free metrics based on spectral entropy and cumulative dependence energy to quantify basis suitability and predict downstream inference gains prior to network training. Experiments across eight multivariate datasets demonstrate that FFT preconditioning is particularly useful in resource-constrained regimes, achieving up to 50% normalized mean squared error (NMSE) reduction, while the proposed metrics correlate with observed performance gains and correctly identify cases where spectral preconditioning is detrimental.
Preston Pitzer, Anish Pradhan, Harpreet S. Dhillon
We propose a new optimization method, the Nyström-enhanced relaxed scalar auxiliary variable method (N-RSAV), which incorporates curvature information into the RSAV framework to accelerate convergence while preserving an unconditional modified energy dissipation law. Existing RSAV-based methods rely solely on first-order information and often suffer from slow convergence, particularly for ill-conditioned problems such as those arising in physics-informed neural networks (PINNs). To address this limitation, we design the linear operator in the RSAV scheme using approximate Hessian information obtained from a randomized low-rank Nyström approximation. To preserve the dissipation structure, we enforce positive semidefiniteness through eigenvalue truncation. Furthermore, we introduce an adaptive strategy that reuses the approximate Hessian based on the deviation between the original and modified energies, significantly reducing computational cost. We also provide a convergence analysis of the RSAV scheme with a general positive semidefinite operator under the Polyak-Lojasiewicz (PL) condition and establish corresponding convergence guarantees for N-RSAV under the PL condition and an additional convexity assumption. Numerical experiments on ill-conditioned problems with effectively low-rank structure, including convex quadratic problems and training of PINNs, demonstrate that the proposed methods achieve substantially faster convergence than conventional RSAV-based approaches.
Geometry-aware optimizers such as Newton and natural gradient can improve conditioning in deep learning, but scalable variants such as K-FAC, Shampoo, and related preconditioners usually impose structural approximations early, often discarding cross-layer interactions induced by the network computation. We introduce Layerwise LQR (LLQR), a framework for learning structured inverse preconditioners under a global layerwise optimal-control objective. The starting point is an exact equivalence: the steepest-descent step under a broad class of divergence-induced quadratic models--including Newton, Gauss-Newton, Fisher/natural-gradient, and intermediate-layer metrics--can be written as a finite-horizon Linear Quadratic Regulator (LQR) problem. This formulation serves as a reference that exposes the layerwise dynamics and cost matrices encoding the original dense geometry. We then derive a scalable relaxation that learns diagonal, (E-)Kronecker-factored, or other structured inverse preconditioners by minimizing the LQR objective and reusing them across iterations. The resulting optimizer wraps standard methods while retaining a principled connection to second-order geometry, without forming or inverting the global curvature matrix. Experiments on ResNets and Transformers show that LLQR improves optimization dynamics and often translates these gains into improved final test performance, while adding only modest wall-clock overhead. It establishes LLQR as a practical framework for geometry-aware second-order methods and a reference for evaluating scalable approximations.
Simon Dufort-Labbé, Pierre-Luc Bacon, Razvan Pascanu +2