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A Rod Flow Model for Adam at the Edge of Stability

arXiv.org Machine Learning

Neural networks are trained by minimizing loss functions with gradient-based optimizers. Cohen et al. [2021] observed that full-batch gradient descent operates at the edge of stability (EoS): the largest eigenvalue of the Hessian, called the sharpness, first rises (a phase called progressive sharpening) and then hovers at the stability threshold 2/ฮท where ฮท is the learning rate. Cohen et al. [2022] extended this picture to momentum methods and adaptive gradient methods, showing that each optimizer exhibits its own edge of stability. Rather than hovering at 2/ฮท, the relevant quantity--the preconditioned sharpness--hovers at a hyperparameter-dependent threshold that depends on the optimizer (Table 2). In practice, the dominant optimizer in machine learning is Adam [Kingma and Ba, 2015], which differs from gradient descent in two respects.


How Does Attention Help? Insights from Random Matrices on Signal Recovery from Sequence Models

arXiv.org Machine Learning

We study the spectral properties of sample covariance matrices constructed from pooled sequence representations, where token embeddings are drawn from a fixed two-class Gaussian mixture table and pooled via (fixed) attention weights. Working in the high-dimensional regime $d,V,N\to\infty$ with $d/V\toฮด$ and $d/N\toฮณ$, we derive exact characterizations of the limiting eigenvalue distribution, outlier eigenvalues, and eigenvector alignment with the hidden signal. The bulk spectrum follows a non-Marchenko--Pastur law given by the free multiplicative convolution $ฮบ(MP_ฮด\boxtimes MP_ฮณ)$, reflecting the finite vocabulary structure. Signal recovery undergoes two successive BBP-type phase transitions characterized by the scalars: $ฮด,ฮณ,ฮฑ=w^{\top} R w$ and $ฮบ=\|w\|^2$, where $w$ denotes the attention pooling weights and $R$ the positional correlation matrix. An aftermath of our analysis demonstrates that the optimal attention weights maximizing the signal-to-noise ratio $ฮฑ/ฮบ$ are given by the (normalized) top eigenvector of $R$, and we show (as a particular case of our analysis) that parameter-free causal self-attention with $ฯ„/d$ score scaling yields deterministic harmonic weights that improve signal recovery over mean pooling whenever early tokens carry more signal. Extensive simulations confirm sharp agreement between theory and finite-dimensional experiments.


Nonparametric estimation of time-varying network connections by multi-stage smoothing

arXiv.org Machine Learning

Time-varying networks arise in a variety of ubiquitous applications, such as functional brain connectivity [Thompson et al., 2017, Zhang et al., 2020], gene and genomic regulatory processes [Zhang and Cao, 2017, Bartlett et al., 2021], and social or economic environments [Snijders et al., 2010, Kolar et al., 2010]. In these contexts, measurements collected at different time points record how observed connections fluctuate, forming a sequence of network snapshots that reflect the temporal evolution of the underlying system. For example, fMRI studies yield time-indexed measurements of activity across brain regions, from which researchers construct connectivity networks that change over the scanning period [Bassett et al., 2011, Rubinov and Sporns, 2010]. Similarly, in political systems such as the U.S. Senate, legislative cosponsorship records give rise to network snapshots that naturally vary across sessions [Fowler, 2006, Kirkland and Gross, 2014]. General reviews of time-varying network analysis, including methodological developments and representative applications, are provided in Holme and Saram aki [2012] and Kim et al. [2018].


Kernel Selection is Model Selection: A Unified Complexity-Penalized Approach for MMD Two-Sample Tests

arXiv.org Machine Learning

The Maximum Mean Discrepancy (MMD) is a cornerstone statistic for nonparametric two-sample testing, but its test power is dictated entirely by the chosen kernel. Because any fixed kernel inherently fails to distinguish certain distributions, the kernel must be dynamically optimized. However, data-driven optimization violates the foundational i.i.d. assumption, forcing a strict trade-off in existing frameworks. Ratio criteria ignore this dependence, inducing overfitting and variance collapse on rich kernel classes. Conversely, aggregation methods bypass the dependence using finite grids, but this strategy cannot scale to continuous search spaces like deep kernels. To break this dichotomy, we establish data-driven kernel selection as a model selection problem. We propose Complexity-Penalized MMD (CP-MMD), a criterion derived by applying the two-sample uniform concentration inequality of preceding works to the post-optimization MMD problem. The resulting penalty bounds the empirical MMD by the complexity of the kernel search space, mathematically absorbing the cost of optimization, so that CP-MMD enables direct, grid-free maximization over continuous parametric classes, including scalar bandwidths, polynomial feature bandwidths, and deep network parameters. By formally accounting for optimization complexity, we prove that CP-MMD maximizes true test power while ensuring unconditional Type-I validity. Consequently, CP-MMD enables grid-free kernel selection across linear, polynomial-feature, and deep regimes, matching or exceeding state-of-the-art test power.


Bias and Uncertainty in LLM-as-a-Judge Estimation

arXiv.org Machine Learning

LLM-as-a-Judge evaluation has become a standard tool for assessing base model performance. However, characterizing performance via the naive estimator, i.e., raw judge outputs, is systematically biased. Recent work has proposed estimators to correct this bias, but their reliability depends critically on judge quality and, for model comparisons, on calibration stability. Sharing calibration across compared models is practically attractive but can introduce severe bias, including cases where the comparison estimate points in the wrong direction with high apparent confidence. We study these failure modes through analytical results, simulations over judge quality ($J$) and cross-model calibration instability ($ฮ”J$), and a real-data MMLU-Pro case study with sign reversal. We propose $J$ and $ฮ”J$ as diagnostics for when corrected estimates, especially shared-calibration comparisons, are likely unreliable, and provide reporting guidance for LaaJ evaluation.


Locally Near Optimal Piecewise Linear Regression in High Dimensions via Difference of Max-Affine Functions

arXiv.org Machine Learning

This paper presents a parametric solution to piecewise linear regression through the Adaptive Block Gradient Descent (ABGD) algorithm. The heart of the method is the parametrization of piecewise linear functions as the difference of max-affine (DoMA) functions. A non-asymptotic local convergence analysis for ABGD is provided under sub-Gaussian covariate and noise distributions. To initialize ABGD, we adapt a prior algorithm originally developed for the simpler setting of max-affine functions. When suitably initialized, ABGD converges linearly to an $ฮต$-accurate estimate given $\tilde{\mathcal{O}}(d\max(ฯƒ_z/ฮต,1)^2)$ observations where $ฯƒ_z^2$ denotes the noise variance. This implies exact recovery given $\tilde{\mathcal{O}}(d)$ samples in the noiseless case. Also, such a rate is shown to be minimax optimal up to logarithmic factors. Synthetic numerical results corroborate the theoretical guarantees for ABGD. We also observe competitive performance compared to the state-of-the-art methods on real-world datasets.


A Differentiable Bayesian Relaxation for Latent Partial-Order Inference

arXiv.org Machine Learning

Rank-data and action-trace datasets are typically recorded as linear sequences, although the constraints governing valid outcomes are often only partially ordered. These constraints may be temporal or process-based [24, 23, 16], causal [5], or dominance-based [28], and are usually not observed directly. Inferring them is important because they encode interpretable structure and support feasibility evaluation on new sequences. In these settings, however, the underlying relation is often incomplete: the latent structure is a partial order, or poset, in which pairs of items that can occur in either order have no precedence relation. Consequently, an observed order need not imply a true prerequisite relation; it may reflect scheduling, logging, or a single valid linearization of the latent partial order. Treating all observed precedences as real can therefore produce overly sequential and unrealistic structures, especially in workflow or LLM-agent settings where unnecessary ordering induces extra execution steps and compute.


$f$-Divergence Regularized RLHF: Two Tales of Sampling and Unified Analyses

arXiv.org Machine Learning

Reinforcement Learning from Human Feedback (RLHF) has become a cornerstone technique for post-training large language models. While most existing approaches rely on the reverse KL-regularization, recent empirical studies have begun exploring alternative divergences (e.g., forward KL, chi-squared) as regularizers in RLHF. However, a unified theoretical understanding of general $f$-divergence regularization remains under-explored. To fill this gap, this work develops a comprehensive theoretical framework for online RLHF with a general $f$-divergence regularized objective. Rather than treating each possible divergence function individually, we adopt a holistic perspective across the entire function class and propose two algorithms based on distinct sampling principles. The first extends the classical optimism principle with a carefully designed exploration bonus, while the second introduces a new method that exploits the sensitivity of the optimal policy to reward perturbations under $f$-divergence regularization. Theoretical analysis shows that $O(\log T)$ regret and $O(1/T)$ sub-optimality gap are achievable, establishing provable efficiency of both algorithms and, to the best of our knowledge, the first performance bounds for online RLHF under general $f$-divergence regularization.


Response Time Enhances Alignment with Heterogeneous Preferences

arXiv.org Machine Learning

Aligning large language models (LLMs) to human preferences typically relies on aggregating pooled feedback into a single reward model. However, this standard approach assumes that all labelers share the same underlying preferences, ignoring the fact that real-world labelers are highly heterogeneous and usually anonymous. Consequently, relying solely on binary choice data fundamentally distorts the learned policy, making the true population-average preference unidentifiable. To overcome this critical limitation, we demonstrate that augmenting preference datasets with a simple, secondary signal -- the user's response time -- can restore the identifiability of the population's average preference. By modeling each decision as a Drift-Diffusion Model (DDM), we introduce a novel, consistent estimator of heterogeneous preferences that successfully corrects the distortions of standard choice-only labels. We prove that our estimator asymptotically converges to the true average preference even in extreme cases where each anonymous labeler contributes only a single choice. Empirically, across both synthetic and real-world datasets, our method consistently outperforms standard baselines that otherwise fail and plateau at a bias floor. Because response times are essentially free to record and require zero user tracking or identification, our results bring promises and open up new opportunities for future data-collection pipelines to improve the social benefit without requiring user-level identifiers or repeated elicitations.


Why Does Agentic Safety Fail to Generalize Across Tasks?

arXiv.org Machine Learning

AI agents are increasingly deployed in multi-task settings, where the task to perform is specified at test time, and the agent must generalize to unseen tasks. A major concern in such settings is safety: often, an agent must not only execute unseen tasks, but do so while avoiding risks and handling ones that materialize. Empirical evidence suggests that even when the ability to execute generalizes to unseen tasks, the ability to do so safely frequently does not. This paper provides theory and experiments indicating that failures of agentic safety to generalize across tasks are not merely due to limitations of training methods, but reflect an inherent property of safety itself: the relationship between a task and its safe execution is more complex than the relationship between a task and its execution alone. Theoretically, we analyze linear-quadratic control with $H_{\infty}$-robustness, and prove that the mapping from task specification to an optimal controller has higher Lipschitz constant with safety requirements than without, yielding a Lipschitz bound of independent interest. Empirically, we demonstrate our conclusions in simulated quadcopter navigation with a neural network agent and in CRM with an LLM agent. Our findings suggest that current efforts to enhance agentic safety may be insufficient, and point to a need for fundamentally different approaches.