validation loss
Symmetry-Compatible Principle for Optimizer Design: Embeddings, LM Heads, SwiGLU MLPs, and MoE Routers
A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivariance structures of the parameter space. We address this disparity by introducing a symmetry-compatible principle for optimizer design: the gradient update rule should be equivariant under the symmetry group acting on the corresponding weight block. Following this principle, we first provide a unified perspective on bi-orthogonally equivariant updates for general matrix layers, as employed by stochastic spectral descent, Muon, Scion, and polar gradient methods. More importantly, by moving from orthogonal groups to permutation and shared-shift symmetries, we derive symmetry-compatible optimizers for parameter blocks whose symmetries differ from those of general matrix layers: embedding and LM head matrices, SwiGLU MLP projections, and MoE router matrices. These constructions include one-sided spectral, row-norm, hybrid row-norm/spectral, row-aware, column-aware, centered row-norm, and left-spectral updates. They yield an end-to-end layerwise optimizer stack in which each major matrix-valued parameter class is assigned an update whose equivariance matches its symmetry group. We corroborate this principle through pre-training experiments on dense and sparse MoE language models, including Qwen3-0.6B-style, Gemma 3 1B-style, OLMoE-1B-7B-style, and downsized gpt-oss architectures. Across these experiments, symmetry-compatible update rules consistently improve final validation loss, reduce load imbalance in sparse MoE models, and in several cases improve training stability over the corresponding AdamW updates.
Anytime Training with Schedule-Free Spectral Optimization
Apte, Anuj, Deshpande, Pranav, Kumar, Niraj, Chakrabarti, Shouvanik, Kim, Junhyung Lyle
Standard neural network training relies on learning-rate schedules tied to a fixed horizon, leading to strong path dependence and costly re-tuning as data availability changes. Schedule-Free (SF) methods address this by removing explicit schedules, yet SF-AdamW, the current state-of-the-art anytime optimizer, consistently underperforms well-tuned AdamW baselines. We propose SF-NorMuon, a schedule-free spectral optimizer that closes this gap: with a single hyperparameter configuration, SF-NorMuon matches or exceeds tuned AdamW on 125M and 772M parameter language models across $1$--$8\times$ Chinchilla horizons. On the theoretical side, we prove a stationarity guarantee for schedule-free spectral dynamics and identify weight decay at the fast iterate as essential for long-horizon stability. SF-NorMuon enables practitioners to obtain high-quality checkpoints at any point during training without committing to a horizon in advance. By closing the performance gap with tuned baselines, SF-NorMuon makes horizon-free optimization more practical, taking a step towards truly open-ended, continual learning.
Forecasting Multivariate Time Series under Predictive Heterogeneity: A Validation-Driven Clustering Framework
Ma, Ziling, Oriona, Ángel López, Ombao, Hernando, Sun, Ying
We study adaptive pooling under predictive heterogeneity in high-dimensional multivariate time series forecasting, where global models improve statistical efficiency but may fail to capture heterogeneous predictive structure, while naive specialization can induce negative transfer. We formulate adaptive pooling as a statistical decision problem and propose a validation-driven framework that determines when and how specialization should be applied. Rather than grouping series based on representation similarity, we define partitions through out-of-sample predictive performance, thereby aligning data organization with predictive risk, defined as expected out-of-sample loss and approximated via validation error. Cluster assignments are iteratively updated using validation losses for both point (Huber) and probabilistic (pinball) forecasting, improving robustness to heavy-tailed errors and local anomalies. To ensure reliability, we introduce a leakage-free fallback mechanism that reverts to a global model whenever specialization fails to improve validation performance, providing a safeguard against performance degradation under a strict training-validation-test protocol. Experiments on large-scale traffic datasets demonstrate consistent improvements over strong baselines while avoiding degradation when heterogeneity is weak. Overall, the proposed framework provides a principled and practically reliable approach to adaptive pooling in high-dimensional forecasting problems.
Aligning Validation with Deployment: Target-Weighted Cross-Validation for Spatial Prediction
Brenning, Alexander, Suesse, Thomas
Cross-validation (CV) is commonly used to estimate predictive risk when independent test data are unavailable. Its validity depends on the assumption that validation tasks are sampled from the same distribution as prediction tasks encountered during deployment. In spatial prediction and other settings with structured data, this assumption is frequently violated, leading to biased estimates of deployment risk. We propose Target-Weighted CV (TWCV), an estimator of deployment risk that accounts for discrepancies between validation and deployment task distributions, thus accounting for (1) covariate shift and (2) task-difficulty shift. We characterize prediction tasks by descriptors such as covariates and spatial configuration. TWCV assigns weights to validation losses such that the weighted empirical distribution of validation tasks matches the corresponding distribution over a target domain. The weights are obtained via calibration weighting, yielding an importance-weighted estimator that targets deployment risk. Since TWCV requires adequate coverage of the deployment distribution's support, we combine it with spatially buffered resampling that diversifies the task difficulty distribution. In a simulation study, conventional as well as spatial estimators exhibit substantial bias depending on sampling, whereas buffered TWCV remains approximately unbiased across scenarios. A case study in environmental pollution mapping further confirms that discrepancies between validation and deployment task distributions can affect performance assessment, and that buffered TWCV better reflects the prediction task over the target domain. These results establish task distribution mismatch as a primary source of CV bias in spatial prediction and show that calibration weighting combined with a suitable validation task generator provides a viable approach to estimating predictive risk under dataset shift.
Neural Network Models for Contextual Regression
Kiatsupaibul, Seksan, Chansiripas, Pakawan
We propose a neural network model for contextual regression in which the regression model depends on contextual features that determine the active submodel and an algorithm to fit the model. The proposed simple contextual neural network (SCtxtNN) separates context identification from context-specific regression, resulting in a structured and interpretable architecture with fewer parameters than a fully connected feed-forward network. We show mathematically that the proposed architecture is sufficient to represent contextual linear regression models using only standard neural network components. Numerical experiments are provided to support the theoretical result, showing that the proposed model achieves lower excess mean squared error and more stable performance than feed-forward neural networks with comparable numbers of parameters, while larger networks improve accuracy only at the cost of increased complexity. The results suggest that incorporating contextual structure can improve model efficiency while preserving interpretability.
On the Role of Batch Size in Stochastic Conditional Gradient Methods
Islamov, Rustem, Machacek, Roman, Lucchi, Aurelien, Silveti-Falls, Antonio, Gorbunov, Eduard, Cevher, Volkan
We study the role of batch size in stochastic conditional gradient methods under a $μ$-Kurdyka-Łojasiewicz ($μ$-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.