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Optimization · Stochastic

Yuan Zhou, Yidan Ou, Xinli Shi

Federated Multi-Objective Learning (FMOL) enables collaborative training of conflicting objectives but faces a compounded challenge: the recursive coupling between intra-task client drift and inter-task aggregation bias. We propose DREAM, a unified framework that jointly corrects these two coupled error sources through drift-aware control variates and momentum-smoothed local updates. On the server side, DREAM formulates multi-objective aggregation as a regularized quadratic program parameterized by a task correction matrix, which provides a generalized formulation that can flexibly adapt to scalarization, prioritization, and gradient manipulation strategies. Theoretically, we establish a linear speedup convergence rate of $\mathcal{O}(1/\sqrt{NT})$ for non-convex objectives. We further provide theoretical guarantees for the conflict-avoidant descent direction. In the strongly convex setting, DREAM achieves convergence in weighted sub-optimality and admits a unified Lyapunov analysis showing linear convergence to a regularization-dependent neighborhood. Numerical experiments validate the superior performance and effectiveness of DREAM in practice.

Optimization · Stochastic

Vassilis Apidopoulos, Iosif Lytras, Panayotis Mertikopoulos

Many optimization problems in machine learning and data science—from deep neural networks to Bayesian inference and beyond—fall outside the standard Lipschitz smoothness framework that underpins the convergence theory of stochastic gradient descent (SGD). Motivated by this theory-practice disconnect, we examine the almost sure convergence of the trajectories of SGD in non-convex landscapes under a generalized $(L_0,L)1)$-smoothness condition which allows for gradients with superlinear growth (even exponential). We begin by proposing a taming scheme for SGD that achieves almost sure convergence under a generalized ABC-type condition on the gradient noise. Subsequently, to relax this requirement, we introduce a more flexible, dissipative taming scheme which converges almost surely under less restrictive moment bound conditions for the stochastic gradients entering the process. For both taming schemes, we show that the generated trajectories avoid strict saddle points (and/or manifolds thereof) with probability 1 so, generically, both methods only converge to local minimizers.

Optimization · Non-Convex

Siqiao Mu, Diego Klabjan

The low-rank adaptation (LoRA) algorithm for fine-tuning large models has grown popular in recent years due to its remarkable performance and low computational requirements. LoRA trains two "adapter" matrices that form a low-rank representation of the model parameters, thereby massively reducing the number of parameters that need to be updated at every step. Although LoRA is simple, its convergence is poorly understood due to the lack of Lipschitz smoothness, a key condition for classic convergence analyses. As a result, current theoretical results only consider asymptotic behavior or assume strong boundedness conditions which artificially enforce Lipschitz smoothness. In this work, we provide for the first time a non-asymptotic convergence analysis of the *original LoRA gradient descent* algorithm, which reflects widespread practice, without such assumptions. Our work relies on three key steps: i) reformulating the problem in terms of the outer product of the stacked adapter matrices, ii) a modified descent lemma for the "Lipschitz-like" reparametrized function, and iii) controlling the step size. With this approach, we prove that LoRA gradient descent converges to a stationary point at rate $O(\frac{1}{\log T})$, where $T$ is the number of iterations. We conduct numerical experiments to validate our theoretical findings.

Deep Learning · Robustness

Sara Taheri, Majid Zamani

The growing use of machine learning in safety-critical settings heightens vulnerability to *adversarial attacks*. Existing defense mechanisms typically either lack formal guarantees or depend on restrictive assumptions about the model family, the threat model, or the poisoning budget, and many only offer point-wise certification. Importantly, they often overlook the inherent stochasticity of modern training pipelines, which undermines their practical reliability. We introduce a probabilistic framework that views gradient-based training as a *discrete-time stochastic dynamical system* and formulates poisoning robustness as a safety verification task. Leveraging *barrier certificates* (BCs), we derive sufficient conditions to probabilistically certify a robust radius against worst-case ${\ell}_p$-bounded poisoning, guaranteeing that the final model parameters remain within a safe set. For tractable computation, we represent BCs with neural networks and obtain *probably approximately correct* (PAC) guarantees through a *scenario convex problem*. Our method identifies the largest certified radius for which the trained model is probabilistically accurate with a specified confidence level. Experiments on MNIST, SVHN, and CIFAR-10 show that our framework offers formal robustness guarantees under stochastic training, while being model-agnostic and not requiring prior knowledge of the attack strategy.

General Machine Learning · Methodology

Junhyoung Chung, Euijong Song, Won Hwa Kim, Gunwoong Park

We introduce Convex Distance Operator Transport (CDOT), the first convex optimal transport framework that aligns distributions across heterogeneous domains by jointly preserving feature correspondence and intrinsic geometric structure. Specifically, CDOT employs an operator-based regularization that aligns aggregated distance structures by introducing distance and conditional expectation operators. Consequently, the proposed regularization improves the robustness to local geometric variations. We further prove that the resulting CDOT discrepancy is a valid pseudometric on the space of attributed compact metric-measure spaces. In addition, we characterize the relationship between CDOT and Gromov--Wasserstien (GW) through a new notion of dispersion gap, formally elucidating the geometric source of non-convexity in GW compared to the convexity of CDOT. In the finite-sample regime, we derive a non-asymptotic risk bound decomposed into optimization and statistical errors, establishing risk consistency under a globally convergent Frank--Wolfe algorithm. Experiments on synthetic point clouds, brain connectomes, and graph classification benchmarks demonstrate better performance over existing methods, with stable and reliable behavior in practice.

Theory · Optimization

Jinyi Huang, Jinlong Lei, Guodong Shi

Distributionally Robust Optimization (DRO) is widely used to improve model robustness, with existing methods addressing either geometric perturbations (e.g., input shifts) or statistical contamination (e.g., heavy-tailed noise and outliers) effectively. However, these uncertainty sources often co-exist. Coupling them through a single divergence or optimal transport constraint conflates geometric displacement with loss-based outlierness, which often leads to the discarding of informative high-leverage samples. We introduce nested DRO, a bilevel formulation that combines optimal transport with an outer $\\phi$-divergence constraint to decouple geometric smoothing from statistical robustness. We prove that this structure naturally induces a geometry-invariant, loss-based reweighting mechanism that separates outlier suppression from transport-induced regularization. We derive a tractable strong dual for the resulting non-convex problem and show its equivalence to variance-regularized risk minimization, providing a rigorous theoretical justification for reweighting gains as a natural consequence of dualization. Empirical results on synthetic and real datasets demonstrate that nested DRO consistently outperforms geometry-coupled DRO baselines, particularly under heavy-tailed contamination where preserving high-leverage structure is crucial.

Theory · Online Learning and Bandits

Wenhao Yang, Yibo Wang, Yuanyu Wan, Lijun Zhang

Online convex optimization in non-stationary environments has garnered considerable attention in the literature. Recently, Pasteris et al. (2024) investigate online convex optimization with the optimal switching regret, defined as the sum of the static regret over each segment, where the segmentation is an arbitrary partition of the entire time horizon. For general convex functions, their work has established an optimal switching regret bound. However, it remains open whether similar bounds are attainable for other types of convex functions, such as exponentially concave or strongly convex functions. In this paper, we affirmatively answer this question by proposing a novel meta-algorithm, termed IRESET, which is used to aggregate the decisions from a group of experts. The essence of our method lies in running multiple experts over a set of intervals, and then employing a meta-algorithm equipped with second-order bounds to sequentially combine their decisions. We leverage the segment tree structure to analyze the switching regret over the entire time horizon, and offer new insights into utilizing recursive equations over the segment tree. By choosing appropriate expert-algorithms for IRESET, our methods achieve logarithmic switching regret bounds for exponentially concave or strongly convex functions, respectively.

Theory · Optimization

Taha EL BAKKALI EL KADI, Rayane Bouftini, Richard Zhang, Omar Saadi

We consider minimizing high-dimensional smooth nonconvex objectives using only noisy pairwise comparisons. Unlike classical zeroth-order methods limited by the ambient dimension $d$, we propose Noisy-Comparison Random Search (NCRS), a direct-search method that exploits random line search to adapt to the intrinsic dimension $k \le d$. We establish a novel nonconvex analysis for approximate stationarity: under a uniform-margin oracle with advantage $p$, NCRS attains $\epsilon$-stationarity with complexity $\mathcal{O}(k/(p^{2}\epsilon^{2}))$, explicitly replacing ambient dependence with the intrinsic dimension. Furthermore, we introduce a general tie-aware noise model where comparison quality degrades near ties; for this setting, we prove that a majority-vote variant of NCRS achieves $\epsilon$-stationarity with complexity $\mathcal{O}(k^{2}/\epsilon^{4})$.

Theory · Optimization

Yuyang Wang, Felix Wang, Zedong Wang, Ijay Narang, Yuzhou Wang, Siva Maguluri

Constant-stepsize stochastic approximation is widely used in learning for computational efficiency. For a fixed stepsize, the iterates typically admit a stationary distribution that is rarely tractable. Prior work shows that as the stepsize $\alpha \downarrow 0$, the centered-and-scaled steady state converges weakly to a Gaussian limit. However, for fixed $\alpha$, this weak convergence offers no usable error bound for approximating the steady-state by its Gaussian limit. This paper provides explicit, non-asymptotic error bounds for fixed $\alpha$. We study (i) stochastic gradient descent on smooth strongly convex objectives, (ii) linear SA, and (iii) contractive nonlinear SA, and we treat both i.i.d. and Markovian noise models to ensure broad applicability. Our main results first give dimension- and stepsize-dependent, explicit bounds in Wasserstein distance between the centered-scaled steady state and its Gaussian limit, with errors that vanish as $\alpha \downarrow 0$. We further derive sharp tail control, comparing the steady-state tail probability to Gaussian tails with an explicit error term that decays in both the deviation level and $\alpha$. Our analysis combines steady-state Stein's method with moment bounds on the SA iterations, and uses Poisson equation techniques to manage temporal dependence in the Markovian noise setting. We adapt the same toolkit to SGD with general convex objectives and suggest non-Gaussian limiting behavior, which is validated in numerical experiments.

Yanhao Jin, Krishna Balasubramanian, Debashis Paul

Meta-learning involves training models on a variety of training tasks in a way that enables them to generalize well on new, unseen test tasks. In this work, we consider meta-learning within the framework of high-dimensional multivariate random-effects linear models and study generalized ridge-regression based predictions. The statistical intuition of using generalized ridge regression in this setting is that the covariance structure of the random regression coefficients could be leveraged to make better predictions on new tasks. Accordingly, we first characterize the precise asymptotic behavior of the predictive risk for a new test task when the data dimension grows proportionally to the number of samples per task. We next show that this predictive risk is optimal when the weight matrix in generalized ridge regression is chosen to be the inverse of the covariance matrix of random coefficients. Finally, we propose and analyze an estimator of the inverse covariance matrix of random regression coefficients based on data from the training tasks. As opposed to intractable MLE-type estimators, the proposed estimators could be computed efficiently as they could be obtained by solving (global) geodesically-convex optimization problems. Our analysis and methodology use tools from random matrix theory and Riemannian optimization. Simulation results demonstrate the improved generalization performance of the proposed method on new unseen test tasks within the considered framework.

Theory · Online Learning and Bandits

Yan-Feng Xie, Yu-Jie Zhang, Peng Zhao, Zhi-Hua Zhou

We study dynamic regret minimization in non-stationary online learning, with a primary focus on follow-the-regularized-leader (FTRL) methods. FTRL is important for curved losses and for understanding adaptive algorithms, yet existing dynamic regret analyses are less explored for FTRL. To address this, we build on the discounted-to-dynamic reduction and present a modular way to obtain dynamic regret bounds. The reduction simplifies prior proofs for online linear regression, recovers optimal rates, and provides new guarantees for online logistic regression, covering two representative curved losses. Beyond online convex optimization, we apply the reduction to analyze the Adam optimizers, obtaining optimal convergence rates in stochastic, non-convex, and non-smooth settings. The reduction also enables a more detailed treatment of Adam with two discount parameters $(\beta_1,\beta_2)$, leading to new results for both clipped and clip-free variants.

DaiHai Nguyen, Duc-Dung NGUYEN, Atsuyoshi Nakamura, Hiroshi Mamitsuka

We study multi-objective optimization over probability distributions in Wasserstein space. Recently, \citet{nguyen2025multiple} introduced Multiple Wasserstein Gradient Descent (MWGraD) algorithm, which exploits the geometric structure of Wasserstein space to jointly optimize multiple objectives. Building on this approach, we propose an accelerated variant, A-MWGraD, inspired by Nesterov's acceleration. We analyze the continuous-time dynamics and establish convergence to weakly Pareto optimal points in probability space. Our theoretical results show that A-MWGraD achieves a convergence rate of $\mathcal{O}(1/t^2)$ for geodesically convex objectives and $\mathcal{O}(e^{-\sqrt{\beta}t})$ for $\beta$-strongly geodesically convex objectives, improving upon the $\mathcal{O}(1/t)$ rate of MWGraD in the geodesically convex setting. We further introduce a practical kernel-based discretization for A-MWGraD and demonstrate through numerical experiments that it consistently outperforms MWGraD in convergence speed and sampling efficiency on multi-target sampling tasks.

Deep Learning · Large Language Models

Yuanjian Xu, Jianing Hao, Wanbo Zhang, Zhong Li, Guang Zhang

The annealing stage of Large Language Model (LLM) training is a critical phase where model loss drops sharply and downstream capabilities solidify. Despite its importance, current practices rely on empirical heuristics like quality filtering or context extension, lacking a principled understanding of the underlying optimization dynamics. We address this gap by providing a theoretical characterization of the spectral properties targeted during annealing. We demonstrate that effective annealing requires balancing global Hessian geometry with sample-wise gradient noise, navigating a landscape of highly anisotropic curvature. Based on these insights, we formulate sample selection as a constrained optimization problem to suppress noise in sharp directions while preserving descent signals in flat subspaces. Our method, solved via Successive Convex Programming (SCP), achieves state-of-the-art results across multiple model scales. Code is available at \url{https://anonymous.4open.science/r/LLM-Annealing-Phase}.

Probabilistic Methods · Monte Carlo and Sampling Methods

Mehmet Berk Sahin, Behzad Sharif, Abolfazl Hashemi

Sampling from high-dimensional, non-log-concave distributions with unnormalized densities constitutes a fundamental challenge in machine learning, particularly when gradient information is inaccessible or computationally prohibitive. While Langevin dynamics provides a robust mechanism for gradient-based sampling, its extension to the derivative-free setting is frequently compromised by high variance and a lack of rigorous convergence guarantees in non-convex landscapes. In this work, we propose a principled variance-reduced zeroth-order Langevin dynamics framework that addresses these limitations for both general non-log-concave black-box sampling and inverse problems utilizing pre-trained score-based generative priors. We introduce a novel gradient estimator that significantly mitigates the variance inherent in traditional zeroth-order methods, enabling stable navigation of complex, multimodal posterior distributions. Theoretically, we establish the first non-asymptotic complexity bounds for this class of algorithms, proving convergence to the target distribution in terms of $\varepsilon$-relative Fisher information, and, under a Poincare inequality, squared total variation distance, specifically for non-log-concave densities. We empirically validate our framework, demonstrating superior mixing and sampling accuracy on standard black-box benchmarks and establishing state-of-the-art performance for derivative-free linear and nonlinear inverse problems.

Deep Learning · Theory

Weihao Zhu, Long Shi, Kang Wei, Zhe Wang, Yipeng Zhou, Haixia Zhang

In Mixture-of-Experts (MoE) training, sparse routing, i.e., activating only the top-$K$ experts per token, is essential for balancing convergence speed and computational cost. However, existing works typically choose $K$ empirically, without theoretical guidance. To address this gap, we characterize the convergence behavior of MoE training using stochastic optimization theory. Specifically, we derive a convergence upper bound of $\mathcal{O}\left(\frac{1+M/K}{\sqrt{T}}\right)$, where $T$ is the number of training iterations and $M$ is the total number of experts per MoE layer. This result guarantees convergence and shows that increasing $K$ can accelerate training. By further fixing the total computational budget $R$ (in FLOPs), we obtain a refined bound of $\mathcal{O}\left(\sqrt{\frac{K}{R}} + \frac{M}{\sqrt{K R}}\right)$, which is convex in $K$ and implies the existence of an optimal $K^{*}\in[1,M]$ that achieves the best convergence performance. Extensive experiments validate our theoretical analysis under diverse settings.

Optimization · Non-Convex

Shutong Ding, Yimiao Zhou, Ke Hu, Xi Yao, Junchi Yan, Xiaoying Tang, Ye Shi

Recent advances in diffusion models show promising potential to accelerate nonconvex problem solving by leveraging their multimodality. However, most existing diffusion-based optimization approaches rely on supervised learning and lack a mechanism to enforce constraint satisfaction, which is required in real-world applications. In that case, we investigate and theoretically analyze the inherent problem of supervised diffusion solvers and identify the distributional misalignment problem, i.e., the generated solution distribution often exhibits low probability mass on the feasible region. To resolve this issue, we propose DiOpt, a new diffusion-based learning framework for constrained nonconvex optimization, which effectively learns the mapping from noise to the constraint region. Specifically, this framework operates in two distinct phases: an initial warm-start phase, implemented via supervised learning, followed by a bootstrapping training phase. This dual-phase architecture is designed to iteratively refine solutions, thereby improving the objective function with high constraint satisfaction. Finally, we also employ a solution selection technique in inference for better optimality. Notably, DiOpt is the first successful integration of the diffusion solver in constrained nonconvex optimization. Evaluations on diverse nonconvex tasks demonstrate the superiority of DiOpt in both optimality and constraint satisfaction.

Theory · Online Learning and Bandits

Chaiwon Kim, Jongyeong Lee, Min-hwan Oh

We study the decoupled multi-armed bandit problem, where the learner selects one arm for exploration and one arm for exploitation separately at each round. In this setting, the loss of the explored arm is observed but not incurred, whereas the loss of the exploited arm is incurred without being observed. We propose an efficient Follow-the-Perturbed-Leader (FTPL) policy that achieves Best-of-Both-Worlds (BOBW) guarantee with constant regret in the stochastic regime and optimal $\mathcal{O}(\sqrt{KT})$ regret in the adversarial regime. A key feature of our method is that it completely avoids both the convex optimization required by prior BOBW policy, and the resampling procedures that are typically used in FTPL bandit policies. This allows FTPL to fully realize its computational efficiency advantages, and thus leads to substantial reductions in computational cost. We empirically confirm that our policy not only improves the runtime but also demonstrates superior regret performance in both regimes.

Deep Learning · Large Language Models

Ziyao Tang, Pengkun Jiao, Xinhang Chen, LiuWei Liu, Shiyong Li, Jingjing Chen

Given the quadratic complexity of attention, KV cache eviction is vital to accelerate model inference. Current KV cache eviction methods typically rely on instantaneous heuristic metrics, implicitly assuming that score magnitudes are consistent proxies for importance across all heads. However, this overlooks the heterogeneity in predictive fidelity across attention heads. While certain heads prioritize the \textit{instantaneous contribution} of tokens, others are dedicated to capturinglong-horizon utility. In this paper, we propose that optimal budget allocation should be governed by the marginal utility in preserving long-term semantic information. Based on this insight, we propose LU-KV, a novel framework that optimizes head-level budget allocation through a convex-hull relaxation and a marginal-utility-based greedy solver to achieve near-optimal precision. Furthermore, we implement a data-driven offline profiling protocol to facilitate the practical deployment of LU-KV.

Evan Dogariu, Anand Brahmbhatt, Elad Hazan

We study the fundamental problem of one-step prediction of a marginally stable unknown nonlinear dynamical system. We describe an algorithm for this problem, based on the technique of spectral filtering, which learns a mapping from past observations to the next based on a spectral representation of the system. Using techniques from online convex optimization, we prove vanishing prediction error for any nonlinear dynamical system that has finitely many marginally stable modes, with rates governed by a novel quantitative control-theoretic notion of learnability. The main technical component of our method is a new spectral filtering algorithm for linear dynamical systems, which incorporates past observations and applies to general noisy and marginally stable systems. This significantly generalizes the original spectral filtering algorithm to both asymmetric dynamics as well as incorporating noise correction, and is of independent interest.

Optimization · Non-Convex

John Hood, Aaron Schein

Despite the ubiquity of multiway data across scientific domains, there are few user-friendly tools that fit tailored nonnegative tensor factorizations. Researchers may use gradient-based automatic differentiation (which often struggles in nonnegative settings), choose between a limited set of methods with mature implementations, or implement their own model from scratch. As an alternative, we introduce NNEinFact, an einsum-based multiplicative update algorithm that fits any nonnegative tensor factorization expressible as a tensor contraction by minimizing one of many user-specified loss functions (including the $(\alpha,\beta)$-divergence). To use NNEinFact, the researcher simply specifies their model with a string. NNEinFact converges to a local minimum of the loss, supports missing data, and fits to tensors with hundreds of millions of entries in seconds. Empirically, NNEinFact fits custom models which outperform standard ones in heldout prediction tasks on real-world tensor data by over 37% and attains less than half the test loss of gradient-based methods while converging up to 90 times faster.