Loss Landscape Geometry

Grokking -- the delayed transition from memorization to generalization in small algorithmic tasks -- remains poorly understood. We present a geometric analysis of optimization dynamics in transformers trained on modular arithmetic. PCA of attention weight trajectories reveals that training evolves predominantly within a low-dimensional execution subspace, with a single principal component capturing 68-83% of trajectory variance. To probe loss-landscape geometry, we measure commutator defects -- the non-commutativity of successive gradient steps -- and project them onto this learned subspace. We find that curvature grows sharply in directions orthogonal to the execution subspace while the trajectory remains largely confined to it. Importantly, curvature growth consistently precedes generalization across learning rates and hyperparameter regimes, with the lead time obeying a power law in the grokking timescale. Causal intervention experiments show that motion along the learned subspace is necessary for grokking, while artificially increasing curvature is insufficient. Together, these results support a geometric account in which grokking reflects escape from a metastable regime characterized by low-dimensional confinement and transverse curvature accumulation. All findings replicate across this learning-rate range, a qualitatively different slow regime (lr=5e-5, wd=0.1, 3 layers), and three random seeds, though alignment dynamics differ quantitatively between regimes. Causal intervention experiments establish that orthogonal gradient flow is necessary but not sufficient for grokking: suppressing it prevents generalization with a monotonic dose-response across four operations, while artificially boosting curvature defects has no effect.

Flat minima are strongly associated with improved generalisation in deep neural networks. However, this connection has proven nuanced in recent studies, with both theoretical counterexamples and empirical exceptions emerging in the literature. In this paper, we revisit the role of sharpness in model performance and examine sharpness as a function-dependent property rather than as a direct indicator of poor generalisation. We conduct extensive empirical studies ranging from single-objective optimisation, synthetic non-linear binary classification tasks, to modern image classification tasks. In single-objective optimisation, we show that flatness and sharpness are relative to the function being learned: equally optimal solutions can exhibit markedly different local geometry. In synthetic non-linear binary classification tasks, we show that increasing decision-boundary tightness can increase sharpness even when models generalise perfectly, suggesting that sharpness is not reducible to memorisation alone. Finally, in large-scale experiments, we find that sharper minima often emerge when models are regularised (e.g., via weight decay, data augmentation, or SAM), and can coincide with better generalisation, calibration, robustness, and functional consistency. Our findings are consistent with a function-centric interpretation of minima geometry: flatness should not be treated as a universal proxy for generalisation, and sharper minima can reflect desirable inductive biases associated with improved predictive behaviour, calling for a function-centric reappraisal of minima geometry.

When training autoregressive models to forecast dynamical systems, a critical question arises: how far into the future should the model be trained to predict for optimal performance? In this work, we address this question by analyzing the relationship between the geometry of the loss landscape and the training time horizon. Using dynamical systems theory, we prove that loss minima for long horizons generalize well to short-term forecasts, whereas minima found on short horizons result in worse long-term predictions. However, we also prove that the loss landscape becomes rougher as the training horizon grows, making long-horizon training inherently challenging. We validate our theory through numerical experiments and discuss practical implications for selecting training horizons. Our results provide a principled foundation for hyperparameter optimization in autoregressive forecasting models.

The optimization of neural networks under weight decay remains poorly understood from a theoretical standpoint. While weight decay is standard practice in modern training procedures, most theoretical analyses focus on unregularized settings. In this work, we investigate the loss landscape of the $\ell_2$-regularized training loss for two-layer ReLU networks. We show that the landscape becomes benign -- i.e., free of spurious local minima -- under large overparametrization, specifically when the network width $m$ satisfies $m \gtrsim \min(n^d, 2^n)$, where $n$ is the number of data points and $d$ the input dimension. More precisely in this regime, almost all constant activation regions contain a global minimum and no spurious local minima. We further show that this level of overparametrization is not only sufficient but also necessary via the example of orthogonal data. Finally, we demonstrate that such loss landscape results primarily hold relevance in the large initialization regime. In contrast, for small initializations -- corresponding to the feature learning regime -- optimization can still converge to spurious local minima, despite the global benignity of the landscape.