Low-rank gradient-based optimization methods have significantly improved memory efficiency during the training of large language models (LLMs), enabling operations within constrained hardware without sacrificing performance. However, these methods primarily emphasize memory savings, often overlooking potential acceleration in convergence due to their reliance on standard isotropic steepest descent techniques, which can perform suboptimally in the highly anisotropic landscapes typical of deep networks, particularly LLMs. In this paper, we propose SUMO (Subspace-Aware Moment-Orthogonalization), an optimizer that employs exact singular value decomposition (SVD) for moment orthogonalization within a dynamically adapted low-dimensional subspace, enabling norm-inducing steepest descent optimization steps. By explicitly aligning optimization steps with the spectral characteristics of the loss landscape, SUMO effectively mitigates approximation errors associated with commonly used methods, such as the Newton-Schulz orthogonalization approximation. We theoretically establish an upper bound on these approximation errors, proving their dependence on the condition numbers of moments, conditions we analytically demonstrate are encountered during LLM training. Furthermore, we both theoretically and empirically illustrate that exact orthogonalization via SVD substantially improves convergence rates while reducing overall complexity. Empirical evaluations confirm that SUMO accelerates convergence, enhances stability, improves performance, and reduces memory requirements by up to 20% compared to state-of-the-art methods.

Diffusion models operating in discrete state spaces have emerged as powerful approaches, demonstrating remarkable efficacy across diverse domains, including reasoning tasks and molecular design. Despite their promising applications, the theoretical foundations of these models remain substantially underdeveloped, with the existing literature predominantly focusing on continuous-state diffusion models. A critical gap persists in the theoretical understanding of discrete diffusion modeling: the absence of a rigorous framework for quantifying estimation error with finite data. Consequently, the fundamental question of how precisely one can reconstruct the true underlying distribution from a limited training set remains unresolved. In this work, we analyze the estimation error induced by a score estimation of the discrete diffusion models. One of the main difficulties in the analysis stems from the fact that the cardinality of the state space can be exponentially large with respect to its dimension, which results in an intractable error bound by a naive approach. To overcome this difficulty, we make use of a property that the state space can be smoothly embedded in a continuous Euclidean space that enables us to derive a cardinality independent bound, which is more practical in real applications. In particular, we consider a setting where the state space is structured as a hypercube graph, and another where the induced graph Laplacian can be asymptotically well approximated by the ordinary Laplacian defined on the continuous space, and then derive state space size independent bounds.

Linear attention has attracted interest as a computationally efficient approximation to softmax attention, especially for long sequences. Recent studies have explored distilling softmax attention in pre-trained Transformers into linear attention. However, a critical challenge remains: how to choose the feature dimension that governs the approximation quality. Existing methods fix this dimension uniformly across all attention layers, overlooking the diverse roles and complexities of them. In this paper, we propose a principled method to automatically determine the feature dimension in linear attention using the concept of statistical degrees of freedom, which represent the effective dimensionality of the inputs. We provide a theoretical bound on the approximation error and show that the dimension chosen by our method achieves smaller errors under a fixed computational budget. Furthermore, we introduce an efficient layerwise training strategy to learn nonlinear features tailored to each layer. Experiments on multiple pre-trained transformers demonstrate that our method improves the performance of distilled models compared to baselines without increasing the inference cost. Our findings also provide insight into how the complexity of the attention mechanism evolves across layers.

Optimal transport (OT) provides a powerful framework for comparing and transforming probability distributions, with wide applications in generative modeling, AI4Science and statistical inference. However, existing estimation theory typically requires stringent smoothness conditions on the underlying Brenier potentials and assumes bounded distribution supports, limiting practical applicability. In this paper, we introduce a unified theoretical framework for semi-dual OT map estimation that relaxes both of these restrictions. Building on sieved convex conjugate, our framework has two key contributions: (i) a new map stability bounds that holds without any second-order regularity assumptions on the true Brenier potentials, and (ii) an oracle inequality that cleanly decomposes the estimation error into statistical error, sieved bias, and approximation error. Specifically, our approximation error is measured in the L1 norm rather than Sobolev norm in the existing results, aligning more naturally with classical approximation theory. Leveraging these tools, we provide statistical error of semi-dual estimators with mild and verifiable conditions on the true OT map. Moreover, we establish the first theoretical guarantee for deep neural network OT map estimator between general distributions, with Tanh network function class as an example.

Popular metrics for clustering comparison, like the Adjusted Rand Index and the Adjusted Mutual Information, are type II biased. The Standardized Mutual Information removes this bias but suffers from counterintuitive non-monotonicity and poor computational efficiency. We introduce the p-value adjusted Rand Index (PMI2), the first cluster comparison method that is type II unbiased and provably monotonous. The PMI2 has fast approximations that outperform the Standardized Mutual information. We demonstrate its unbiased clustering selection, approximation quality, and runtime efficiency on synthetic benchmarks. In experiments on image and social network datasets, we show how the PMI2 can help practitioners choose better clustering and community detection algorithms.

We propose Joint Moment Estimation (JME), a method for continually and privately estimating both the first and second moments of a data stream with reduced noise compared to naive approaches. JME supports the matrix mechanism and exploits a joint sensitivity analysis to identify a privacy regime in which the second-moment estimation incurs no additional privacy cost, thereby improving accuracy while maintaining privacy. We demonstrate JME's effectiveness in two applications: estimating the running mean and covariance matrix for Gaussian density estimation and model training with DP-Adam.

Functional optimization problems are typically solved by optimizing the parameters of a fixed representation, such as a neural network, resulting in highly nonconvex losses that complicate both training and theoretical analysis. An interesting alternative is functional gradient descent (FGD), that is, gradient descent directly in function space, which benefits from strong convergence results and admits a clean theory. However, FGD is difficult to implement in practice because functional gradients are infinite-dimensional, and thus cannot be fully computed nor stored in memory. Existing implementations therefore rely on fixed approximations, which introduce approximation error. We propose a new, theoretically-grounded FGD algorithm that adapts the representation of the functional gradients over the course of optimization. By explicitly incorporating this approximation into the analysis, we establish convergence to a stationary point (for smooth losses) and to a global minimizer (under smoothness + a Polyak-Lojasiewicz-type condition) regardless of our approximations. To the best of our knowledge, this is the first implementable FGD method with such guarantees in a general setting. We demonstrate the effectiveness of our method on regression, numerical solution of PDEs, and modern computer vision. Across settings, our method consistently outperforms both FGD with fixed approximations and neural network baselines in efficiency and accuracy.

Black-box optimization has gained great attention for its success in recent ap-1 plications. However, scaling up to high-dimensional problems with good query2 efficiency remains challenging. This paper proposes a novel Rank-1 Lattice Tar-3 geted Sampling (RLTS) technique to address this issue. Our RLTS benefits from4 random rank-1 lattice Quasi-Monte Carlo, which enables us to perform fast local5 exact Gaussian processes (GP) training and inference with O(nlogn)complexity6 w.r.t.

In this work, we study γ-discounted infinite-horizon tabular Markov decision processes (MDPs) and introduce a framework called dynamic policy gradient (DynPG).

Optimal transport (OT) provides a powerful framework for comparing and transforming probability distributions, with wide applications in generative modeling, AI4Science and statistical inference. However, existing estimation theory typically requires stringent smoothness conditions on the underlying Brenier potentials and assumes bounded distribution supports, limiting practical applicability. In this paper, we introduce a unified theoretical framework for semi-dual OT map estimation that relaxes both of these restrictions. Building on sieved convex conjugate, our framework has two key contributions: (i) a new map stability bounds that holds without any second-order regularity assumptions on the true Brenier potentials, and (ii) an oracle inequality that cleanly decomposes the estimation error into statistical error, sieved bias, and approximation error. Specifically, our approximation error is measured in the $L^\infty$ norm rather than Sobolev norm in the existing results, aligning more naturally with classical approximation theory. Leveraging these tools, we provide statistical error of semi-dual estimators with mild and verifiable conditions on the true OT map. Moreover, we establish the first theoretical guarantee for deep neural network OT map estimator between general distributions, with Tanh network function class as an example.