Flatness-Aware Stochastic Gradient Langevin Dynamics

Generalization in deep learning is closely tied to the pursuit of flat minima in the loss landscape, yet classical Stochastic Gradient Langevin Dynamics (SGLD) offers no mechanism to bias its dynamics toward such low-curvature solutions. This work introduces Flatness-Aware Stochastic Gradient Langevin Dynamics (fSGLD), designed to efficiently and provably seek flat minima in high-dimensional nonconvex optimization problems. At each iteration, fSGLD uses the stochastic gradient evaluated at parameters perturbed by isotropic Gaussian noise, commonly referred to as Random Weight Perturbation (RWP), thereby optimizing a randomized-smoothing objective that implicitly captures curvature information. Leveraging these properties, we prove that the invariant measure of fSGLD stays close to a stationary measure concentrated on the global minimizers of a loss function regularized by the Hessian trace whenever the inverse temperature and the scale of random weight perturbation are properly coupled. This result provides a rigorous theoretical explanation for the benefits of random weight perturbation. In particular, we establish non-asymptotic convergence guarantees in Wasserstein distance with the best known rate and derive an excess-risk bound for the Hessian-trace regularized objective. Extensive experiments on noisy-label and large-scale vision tasks, in both training-from-scratch and fine-tuning settings, demonstrate that fSGLD achieves superior or comparable generalization and robustness to baseline algorithms while maintaining the computational cost of SGD, about half that of SAM. Hessian-spectrum analysis further confirms that fSGLD converges to significantly flatter minima.

DGSAM: Domain Generalization via Individual Sharpness-Aware Minimization

Domain generalization (DG) aims to learn models that can generalize well to unseen domains by training only on a set of source domains. Sharpness-Aware Minimization (SAM) has been a popular approach for this, aiming to find flat minima in the total loss landscape. However, we show that minimizing the total loss sharpness does not guarantee sharpness across individual domains. In particular, SAM can converge to fake flat minima, where the total loss may exhibit flat minima, but sharp minima are present in individual domains. Moreover, the current perturbation update in gradient ascent steps is ineffective in directly updating the sharpness of individual domains. Motivated by these findings, we introduce a novel DG algorithm, Decreased-overhead Gradual Sharpness-Aware Minimization (DGSAM), that applies gradual domain-wise perturbation to reduce sharpness consistently across domains while maintaining computational efficiency. Our experiments demonstrate that DGSAM outperforms state-of-the-art DG methods, achieving improved robustness to domain shifts and better performance across various benchmarks, while reducing computational overhead compared to SAM.

Dual Cone Gradient Descent for Training Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) have emerged as a prominent approach for solving partial differential equations (PDEs) by minimizing a combined loss function that incorporates both boundary loss and PDE residual loss. Despite their remarkable empirical performance in various scientific computing tasks, PINNs often fail to generate reasonable solutions, and such pathological behaviors remain difficult to explain and resolve. In this paper, we identify that PINNs can be adversely trained when gradients of each loss function exhibit a significant imbalance in their magnitudes and present a negative inner product value. To address these issues, we propose a novel optimization framework, Dual Cone Gradient Descent (DCGD), which adjusts the direction of the updated gradient to ensure it falls within a dual cone region. This region is defined as a set of vectors where the inner products with both the gradients of the PDE residual loss and the boundary loss are non-negative. Theoretically, we analyze the convergence properties of DCGD algorithms in a non-convex setting. On a variety of benchmark equations, we demonstrate that DCGD outperforms other optimization algorithms in terms of various evaluation metrics. In particular, DCGD achieves superior predictive accuracy and enhances the stability of training for failure modes of PINNs and complex PDEs, compared to existing optimally tuned models. Moreover, DCGD can be further improved by combining it with popular strategies for PINNs, including learning rate annealing and the Neural Tangent Kernel (NTK).