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Bilevel Optimization over Saddle Points of Zero-Sum Markov Games

arXiv.org Machine Learning

Reinforcement learning (RL) often has a hierarchical structure, where an upper-level (UL) learner selects model parameters and a lower-level (LL) decision-making process responds, naturally leading to a bilevel optimization problem. Most existing bilevel RL methods assume a single-policy LL Markov decision process (MDP), and therefore fail to capture competitive structures arising in applications such as incentive design, where multiple policies interact. We study bilevel optimization problems in which the LL problem is a regularized min-max zero-sum Markov game and the UL objective is optimized through the saddle-point equilibrium induced by the LL game. In this work, we propose penalty-augmented Nikaido-Isoda descent-ascent (PANDA), a penalty-based first-order policy-gradient method based on the Nikaido-Isoda function. By exploiting the min-max game structure, PANDA avoids computing UL hypergradients and does not require second-order information. We prove that PANDA converges to stationary points without convexity assumptions on either the UL or LL objectives. Moreover, PANDA reaches an $ฮต$-stationary point in $\tilde{\mathcal{O}}(ฮต^{-1})$ iterations with sample complexity $\tilde{\mathcal{O}}(ฮต^{-3})$, matching the best-known rates for bilevel RL with single-policy LL MDPs. Experiments demonstrate the superior performance of PANDA over closely related baselines.


CART Random Forests as Sequential Allocation over Random Opportunity Sets: A Stochastic-Control Theory of Ensemble Risk

arXiv.org Machine Learning

CART random forests are among the most widely used modern predictive methods, with well-documented empirical success. Yet, at the mechanistic level, the algorithm is often treated as a black box because of its complexity. In this paper, we develop a stochastic-control perspective on feature-subsampled CART random forests, named CART random opportunity-set allocation (CART-ROSA). At each node, the random subset of features is interpreted as a random feasible action set, and the CART split rule as a masked-action allocation policy. This policy induces a controlled stochastic process over informative split-count states, whose terminal law determines both single-tree error and cross-tree interaction terms in the forest mean squared error (MSE). Such representation opens the black box of CART-forests by separating two design levers: the informative-opportunity rate induced by feature subsampling, and the contraction strength from the within-mask split policy. We establish that the CART policy is locally stabilizing: it contracts imbalances in informative split allocations and concentrates terminal tree geometry. At the system level, however, it can be globally suboptimal for the forest objective. Specializing to the linear model, we derive the MSE risk expansion explicitly. Our results show how an operations-research perspective makes tractable a theoretical gap difficult to access from the standard algorithmic description of CART forests.


Model Merging on Loss Landscape: A Geometry Perspective

arXiv.org Machine Learning

Model merging offers a promising avenue for knowledge integration and parallel development without retraining. Yet, existing methods either ignore the geometry of the loss landscape or rely on intractable full-space Hessian approximations. We propose EpiMer, a framework that casts model merging as solving the Frรฉchet mean on a Riemannian manifold and restricts the computation to a low-rank subspace spanned by the task vectors. With the expected Hessian as the metric, we reveal a connection between local curvature and epistemic uncertainty of the parameters. Our theoretical analysis decomposes the merging error bound into the subspace Frรฉchet variance and the residual energy, and provides a closed-form characterization of when curvature-aware merging provably outperforms flat-geometry methods. In addition, our framework unifies both curvature-aware methods and recent spectral methods as special cases of the subspace Frรฉchet mean with different geometric metrics. Merging fine-tuned CLIP-ViT models on eight image classification tasks, Epistemic Merging strictly outperforms the baselines on all three CLIP-ViT backbones at matched rank, improving the across-task average accuracy and worst-task accuracy on every backbone.


Proper Calibeating

arXiv.org Machine Learning

The classic concept of "calibrated forecasts" and its more recent refinement, "calibeating," are defined with respect to the standard quadratic scoring rule. We extend these notions to the class of $\textit{proper}$ scoring rules (for which the best forecast is the true distribution) and define $\textit{proper-calibration}$ and $\textit{proper-calibeating}$ by requiring the errors to converge to zero uniformly over all bounded proper scoring rules. We first establish that calibration always implies proper-calibration, whereas calibeating need not imply proper-calibeating. Second, we show how to guarantee proper-calibeating and proper-multicalibeating. Finally, we demonstrate the equivalence between proper-calibration and universal no regret when best replying to forecasts in decision-making under uncertainty.


Transformers Can Learn Posterior Predictive Distributions In-Context

arXiv.org Machine Learning

Prior-data fitted networks (PFNs) have recently emerged as a powerful approach for Bayesian prediction tasks, approximating the posterior predictive distribution (PPD) through in-context learning. Despite their strong empirical performance and ability to go beyond point predictions, theoretical understandings of the algorithmic capability of transformers to learn distributions in context are still lacking. Focusing on Gaussian process regression problems, we show by construction that transformers can implement a gradient descent algorithm targeting the posterior predictive mean and variance, followed by nonlinear mappings that yield binned probabilities of PPD. We study the error bounds of the approximated PPD in terms of attention depth and bin resolution. Based on these results, we further demonstrate the key role of normalization and the choice of attention depth in enabling the extrapolation abilities of transformers beyond the pretraining sample size range. We conduct simulations that corroborate our findings, providing insight into the expressivity of PFNs targeting PPDs and how architectural choices may influence generalization capabilities.


Nonlinear and Heavy-Tailed Predictability in Transition-Energy Financial Markets

arXiv.org Machine Learning

Transition-related financial markets are increasingly exposed to abrupt repricing episodes, elevated volatility, and heterogeneous macro-financial shocks. Under such conditions, conventional Gaussian-linear forecasting frameworks may provide an incomplete representation of the dependence structure linking fossil-energy, renewable-energy, technology, and utility-sector assets. This paper investigates whether transition-related financial returns exhibit residual non-linear predictability after controlling for heavy-tailed multivariate linear dynamics. To address this question, we develop a hybrid forecasting framework combining Student-t Vector Autoregressions with nonlinear recurrent residual learning architectures. The empirical analysis considers six major exchange-traded funds representing broad equity markets and key transition-sensitive sectors. The results reveal substantial departures from Gaussian-linear behavior, including excess kurtosis, volatility clustering, and remaining nonlinear dependence after econometric filtering. Out-of-sample forecasting experiments show that the proposed framework consistently improves predictive accuracy relative to conventional VAR models, standalone machine-learning methods, and alternative hybrid specifications. The forecasting gains become more pronounced during periods of macro-financial stress, particularly during the COVID-19 crisis and the Ukraine-related energy shock. Overall, the findings suggest that transition-related financial systems exhibit regime-sensitive and heavy-tailed predictive dynamics that are insufficiently captured by standard Gaussian-linear models alone.


Negligible in Size, Significant in Effect: On Scale Vectors in Large Language Models

arXiv.org Machine Learning

Normalization layers in modern large language models (LLMs) consist of a deterministic normalization operation and a learnable scale vector. While the normalization operation has been extensively studied, the scale vector remains poorly understood despite its ubiquitous use. In this work, we present a systematic study of scale vectors in LLMs from the perspectives of expressivity, optimization, and architectural structure. First, we show empirically that although scale vectors constitute only a negligible fraction of model parameters, removing them substantially degrades LLM pre-training. Our theory further shows that, in Pre-Norm architectures, scale vectors do not increase expressivity; instead, they improve optimization through a self-amplifying preconditioning effect on subsequent linear mappings. Second, we investigate the role of weight decay for scale vectors. By distinguishing Input-Norm and Output-Norm layers, we theoretically show that weight decay is beneficial for the former but harmful for the latter, due to their distinct roles in optimization and expressivity. Third, motivated by this understanding, we propose three lightweight and complementary improvements to scale vectors: branch-specific heterogeneity, improved placement around linear mappings, and magnitude-direction reparameterization. Both theory and experiments show that each improvement yields consistent gains. Finally, we combine these improvements into a unified scale-vector strategy and evaluate it through extensive LLM pre-training experiments on dense and mixture-of-experts models ranging from 0.12B to 2B parameters, across multiple optimizers and learning rate schedules, under industrial-scale token budgets. The unified strategy consistently achieves lower terminal loss than well-tuned baselines and exhibits more favorable scaling behavior, while adding negligible parameter and computational overhead.


Agile Online Model Selection: Resolving Adaptation Lag via Safeguarded Large Learning Rates

arXiv.org Machine Learning

Maintaining predictive accuracy in non-stationary environments requires online model selection to adapt autonomously to unknown distribution shifts. However, existing tuning-free algorithms face a fundamental trade-off between robustness and agility. Specifically, to ensure dynamic regret bounds, they must restrict learning rates to small constants (e.g., $O(1)$). This restriction inevitably causes significant adaptation lag during abrupt changes. To resolve this, we propose a novel optimistic online mirror descent that utilizes safeguarded large learning rates up to $ฮ˜(T)$, where $T$ is the number of rounds. Our key technical contribution is a post-hoc penalty mechanism that dynamically monitors unstable updates and excludes learning rates incurring excessive regret, eliminating the need for restrictive a priori constraints. We show that the cumulative penalty remains $O(\log T)$, allowing our algorithm to match near-optimal worst-case guarantees while achieving superior rates in benign cases. Empirical evaluations on synthetic and eleven diverse real-world datasets demonstrate that our approach reduces the adaptation lag from hundreds of rounds to a few rounds, consistently outperforming tuning-free baselines.


Signal-to-Noise Ratio and Sample Size Govern Representational Alignment in Neural Networks

arXiv.org Machine Learning

Neural networks are known to develop latent representations that are $aligned$, namely structurally similar across networks trained with different architectures, training protocols, or training datasets. We study this phenomenon in a controlled setting, where we train an ensemble of networks on regression and classification tasks using training sets perturbed by independent realizations of a noise process. We show that the signal-to-noise ratio (SNR) and the training sample size influence the alignment in qualitatively similar ways in networks trained on real-world datasets and in an extremely simple $linear$ network with a single hidden layer, for which the alignment can be estimated analytically. Across linear and nonlinear networks, regression and classification tasks, and both synthetic and real-world data, we consistently observe that alignment varies monotonically with SNR but non-monotonically with training sample size. In particular, the alignment is minimized near the interpolation threshold, and a stronger alignment does not necessarily correspond to better generalization error. These findings reveal a non-trivial dependence of alignment on data quality and quantity, decoupled from generalization performance.


Constrained Bayesian Experimental Design via Online Planning

arXiv.org Machine Learning

Bayesian experimental design (BED) is a principled framework for data-efficient design of sequential experiments. However, existing BED methods are unable to adapt to dynamic constraints inherent in real-world tasks due to budget limitations, varying costs, or physical constraints that restrict how designs evolve over time. In this paper, we introduce a novel approach to BED that enables constrained optimization of experimental designs by combining offline pre-training of an amortized policy and a posterior network with online multi-step lookahead planning using scenario trees. We empirically demonstrate that our method yields substantially more informative design sequences than existing methods across a range of constrained BED tasks, while incurring only a modest additional computational overhead.