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Aug 7

Geometry-Aware Decoding with Wasserstein-Regularized Truncation and Mass Penalties for Large Language Models

Large language models (LLMs) must balance diversity and creativity against logical coherence in open-ended generation. Existing truncation-based samplers are effective but largely heuristic, relying mainly on probability mass and entropy while ignoring semantic geometry of the token space. We present Top-W, a geometry-aware truncation rule that uses Wasserstein distance-defined over token-embedding geometry-to keep the cropped distribution close to the original, while explicitly balancing retained probability mass against the entropy of the kept set. Our theory yields a simple closed-form structure for the fixed-potential subset update: depending on the mass-entropy trade-off, the optimal crop either collapses to a single token or takes the form of a one-dimensional prefix that can be found efficiently with a linear scan. We implement Top-W using efficient geometry-based potentials (nearest-set or k-NN) and pair it with an alternating decoding routine that keeps the standard truncation-and-sampling interface unchanged. Extensive experiments on four benchmarks (GSM8K, GPQA, AlpacaEval, and MT-Bench) across three instruction-tuned models show that Top-W consistently outperforms prior state-of-the-art decoding approaches achieving up to 33.7% improvement. Moreover, we find that Top-W not only improves accuracy-focused performance, but also boosts creativity under judge-based open-ended evaluation.

  • 4 authors
·
Feb 10

The Edge-of-Reach Problem in Offline Model-Based Reinforcement Learning

Offline reinforcement learning aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively ``bootstrapping from the void.'' This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Code open-sourced at: github.com/anyasims/edge-of-reach.

  • 4 authors
·
Feb 19, 2024

Scalable Uncertainty Quantification for Extreme Weather Forecasting via Empirical Neural Tangent Kernels

Deep learning weather models now match numerical weather prediction accuracy while running orders of magnitude faster, but produce deterministic forecasts without uncertainty estimates, a critical gap for high-stakes decisions during extreme weather events. This paper proposes Neural Tangent Kernel-based uncertainty quantification (NTK-UQ) using last-layer empirical features. Theoretical analysis predicts that UQ quality is architecture-dependent through two mechanisms. First, a variance collapse mechanism explains when UQ fails: when the eigenvalue truncation rank approaches the effective rank of the feature space, the GP correction term consumes nearly all prior variance, destroying discrimination between tropical cyclones and routine conditions; architectures with concentrated spectra (spectral operators) require aggressive truncation (k leq 10), while attention-based models tolerate full-rank computation. Second, decomposition performance depends on the non-Gaussian, heavy-tailed structure of extreme weather: Independent Component Analysis exploits higher-order statistics (kurtosis, negentropy) to isolate heavy-tailed extreme-event features, achieving higher discrimination than singular value decomposition, which captures only second-order variance. A data-driven selection rule chooses ICA or SVD from the feature eigenspectrum concentration ratio, correctly prescribing the superior decomposition for all four evaluated architectures. Compared to split conformal prediction (the natural post-hoc baseline), NTK-UQ achieves 31--37\% sharper prediction intervals at 90\% coverage, and uniquely produces adaptive intervals that scale with extreme event severity, which conformal prediction cannot achieve by construction. The framework requires no retraining; inference-time uncertainty requires only a single matrix-vector product per sample.

  • 3 authors
·
May 31

Anti-Length Shift: Dynamic Outlier Truncation for Training Efficient Reasoning Models

Large reasoning models enhanced by reinforcement learning with verifiable rewards have achieved significant performance gains by extending their chain-of-thought. However, this paradigm incurs substantial deployment costs as models often exhibit excessive verbosity on simple queries. Existing efficient reasoning methods relying on explicit length penalties often introduce optimization conflicts and leave the generative mechanisms driving overthinking largely unexamined. In this paper, we identify a phenomenon termed length shift where models increasingly generate unnecessary reasoning on trivial inputs during training. To address this, we introduce Dynamic Outlier Truncation (DOT), a training-time intervention that selectively suppresses redundant tokens. This method targets only the extreme tail of response lengths within fully correct rollout groups while preserving long-horizon reasoning capabilities for complex problems. To complement this intervention and ensure stable convergence, we further incorporate auxiliary KL regularization and predictive dynamic sampling. Experimental results across multiple model scales demonstrate that our approach significantly pushes the efficiency-performance Pareto frontier outward. Notably, on the AIME-24, our method reduces inference token usage by 78% while simultaneously increasing accuracy compared to the initial policy and surpassing state-of-the-art efficient reasoning methods.

  • 10 authors
·
Jan 7

EFT Validity and Truncation Uncertainty from few Nuisance Parameters

An observable in an Effective Field Theory (EFT) is an expansion in a set of small parameters, no different than any other perturbation series. Truncating such a series expansion leaves the leading dropped term as the dominant source of error, and that term itself contains a calculable portion. We explore the partial calculation of this next-order error, available at dim-6^2 in SMEFT with no additional tools needed to simulate it, and explore how to efficiently use that partial calculation to model the next-order uncertainty in full using a minimal number of nuisance parameters. This estimate of the uncertainty of the EFT signal rate naturally imposes EFT validity by ensuring that bounds are driven by kinematic regions where truncation uncertainties are parametrically smaller than the signal. We incorporate the calculable dim-6^2 piece into the signal and cover the remaining higher-dimension uncertainty with a small set of nuisance parameters derived from a scan over Wilson-coefficient values. Our algorithm to determine the relevant nuisance parameters and distributions is automation-friendly and applies to arbitrary truncation choices. We then provide multiple examples of its implementation in high-energy collider processes focused on SMEFT truncated at O(Λ^{-2}), where the dim-6^2 piece is used to estimate the full mathcal O(Λ^{-4}) dependence. In the examples considered here the reduction of nuisance parameters is appreciable, generically reducing the nuisance parameter count by an order of magnitude compared to naïve estimates.

  • 3 authors
·
Jul 1

Perturbation Analysis of Neural Collapse

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

  • 3 authors
·
Oct 29, 2022

Neural Collapse in Deep Linear Networks: From Balanced to Imbalanced Data

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

  • 6 authors
·
Jan 1, 2023

The Malignant Tail: Spectral Segregation of Label Noise in Over-Parameterized Networks

While implicit regularization facilitates benign overfitting in low-noise regimes, recent theoretical work predicts a sharp phase transition to harmful overfitting as the noise-to-signal ratio increases. We experimentally isolate the geometric mechanism of this transition: the Malignant Tail, a failure mode where networks functionally segregate signal and noise, reducing coherent semantic features into low-rank subspaces while pushing stochastic label noise into high-frequency orthogonal components, distinct from systematic or corruption-aligned noise. Through a Spectral Linear Probe of training dynamics, we demonstrate that Stochastic Gradient Descent (SGD) fails to suppress this noise, instead implicitly biasing it toward high-frequency orthogonal subspaces, effectively preserving signal-noise separability. We show that this geometric separation is distinct from simple variance reduction in untrained models. In trained networks, SGD actively segregates noise, allowing post-hoc Explicit Spectral Truncation (d << D) to surgically prune the noise-dominated subspace. This approach recovers the optimal generalization capability latent in the converged model. Unlike unstable temporal early stopping, Geometric Truncation provides a stable post-hoc intervention. Our findings suggest that under label noise, excess spectral capacity is not harmless redundancy but a latent structural liability that allows for noise memorization, necessitating explicit rank constraints to filter stochastic corruptions for robust generalization.

  • 1 authors
·
Mar 2

On the Collapse of Generative Paths: A Criterion and Correction for Diffusion Steering

Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting probability-density trajectories from multiple models with positive, or in some cases, negative exponents. This construction, however, harbors a critical and previously unformalized failure mode: Marginal Path Collapse, where intermediate densities become non-normalizable even though endpoints remain valid. Collapse arises systematically when composing heterogeneous models trained on different noise schedules or datasets, including a common setting in molecular design where de-novo, conformer, and pocket-conditioned models must be combined for tasks such as flexible-pose scaffold decoration. We provide a novel and complete solution for the problem. First, we derive a simple path existence criterion that predicts exactly when collapse occurs from noise schedules and exponents alone. Second, we introduce Adaptive path Correction with Exponents (ACE), which extends Feynman-Kac steering to time-varying exponents and guarantees a valid probability path. On a synthetic 2D benchmark and on flexible-pose scaffold decoration, ACE eliminates collapse and enables high-guidance compositional generation, improving distributional and docking metrics over constant-exponent baselines and even specialized task-specific scaffold decoration models. Our work turns ratio-of-densities steering with heterogeneous experts from an unstable heuristic into a reliable tool for controllable generation.

  • 9 authors
·
Dec 10, 2025