Where Does Warm-Up Come From? Adaptive Scheduling for Norm-Constrained Optimizers

We study adaptive learning rate scheduling for norm-constrained optimizers (e.g., Muon and Lion). We introduce a generalized smoothness assumption under which local curvature decreases with the suboptimality gap and empirically verify that this behavior holds along optimization trajectories. Under this assumption, we establish convergence guarantees under an appropriate choice of learning rate, for which warm-up followed by decay arises naturally from the proof rather than being imposed heuristically. Building on this theory, we develop a practical learning rate scheduler that relies only on standard hyperparameters and adapts the warm-up duration automatically at the beginning of training. We evaluate this method on large language model pretraining with LLaMA architectures and show that our adaptive warm-up selection consistently outperforms or at least matches the best manually tuned warm-up schedules across all considered setups, without additional hyperparameter search. Our source code is available at https://github.com/brain-lab-research/llm-baselines/tree/warmup

Accelerated Methods with Complexity Separation Under Data Similarity for Federated Learning Problems

Heterogeneity within data distribution poses a challenge in many modern federated learning tasks. We formalize it as an optimization problem involving a computationally heavy composite under data similarity. By employing different sets of assumptions, we present several approaches to develop communication-efficient methods. An optimal algorithm is proposed for the convex case. The constructed theory is validated through a series of experiments across various problems.

Gradient-Free Approaches is a Key to an Efficient Interaction with Markovian Stochasticity

This paper deals with stochastic optimization problems involving Markovian noise with a zero-order oracle. We present and analyze a novel derivative-free method for solving such problems in strongly convex smooth and non-smooth settings with both one-point and two-point feedback oracles. Using a randomized batching scheme, we show that when mixing time $τ$ of the underlying noise sequence is less than the dimension of the problem $d$, the convergence estimates of our method do not depend on $τ$. This observation provides an efficient way to interact with Markovian stochasticity: instead of invoking the expensive first-order oracle, one should use the zero-order oracle. Finally, we complement our upper bounds with the corresponding lower bounds. This confirms the optimality of our results.

Shuffling Heuristic in Variational Inequalities: Establishing New Convergence Guarantees

Variational inequalities have gained significant attention in machine learning and optimization research. While stochastic methods for solving these problems typically assume independent data sampling, we investigate an alternative approach -- the shuffling heuristic. This strategy involves permuting the dataset before sequential processing, ensuring equal consideration of all data points. Despite its practical utility, theoretical guarantees for shuffling in variational inequalities remain unexplored. We address this gap by providing the first theoretical convergence estimates for shuffling methods in this context. Our analysis establishes rigorous bounds and convergence rates, extending the theoretical framework for this important class of algorithms. We validate our findings through extensive experiments on diverse benchmark variational inequality problems, demonstrating faster convergence of shuffling methods compared to independent sampling approaches.

Leveraging Coordinate Momentum in SignSGD and Muon: Memory-Optimized Zero-Order

Fine-tuning Large Language Models (LLMs) is essential for adapting pre-trained models to downstream tasks. Yet traditional first-order optimizers such as Stochastic Gradient Descent (SGD) and Adam incur prohibitive memory and computational costs that scale poorly with model size. In this paper, we investigate zero-order (ZO) optimization methods as a memory- and compute-efficient alternative, particularly in the context of parameter-efficient fine-tuning techniques like LoRA. We propose $\texttt{JAGUAR SignSGD}$, a ZO momentum-based algorithm that extends ZO SignSGD, requiring the same number of parameters as the standard ZO SGD and only $\mathcal{O}(1)$ function evaluations per iteration. To the best of our knowledge, this is the first study to establish rigorous convergence guarantees for SignSGD in the stochastic ZO case. We further propose $\texttt{JAGUAR Muon}$, a novel ZO extension of the Muon optimizer that leverages the matrix structure of model parameters, and we provide its convergence rate under arbitrary stochastic noise. Through extensive experiments on challenging LLM fine-tuning benchmarks, we demonstrate that the proposed algorithms meet or exceed the convergence quality of standard first-order methods, achieving significant memory reduction. Our theoretical and empirical results establish new ZO optimization methods as a practical and theoretically grounded approach for resource-constrained LLM adaptation. Our code is available at https://github.com/brain-mmo-lab/ZO_LLM

Convergence of Clipped-SGD for Convex $(L_0,L_1)$-Smooth Optimization with Heavy-Tailed Noise

Gradient clipping is a widely used technique in Machine Learning and Deep Learning (DL), known for its effectiveness in mitigating the impact of heavy-tailed noise, which frequently arises in the training of large language models. Additionally, first-order methods with clipping, such as Clip-SGD, exhibit stronger convergence guarantees than SGD under the $(L_0,L_1)$-smoothness assumption, a property observed in many DL tasks. However, the high-probability convergence of Clip-SGD under both assumptions -- heavy-tailed noise and $(L_0,L_1)$-smoothness -- has not been fully addressed in the literature. In this paper, we bridge this critical gap by establishing the first high-probability convergence bounds for Clip-SGD applied to convex $(L_0,L_1)$-smooth optimization with heavy-tailed noise. Our analysis extends prior results by recovering known bounds for the deterministic case and the stochastic setting with $L_1 = 0$ as special cases. Notably, our rates avoid exponentially large factors and do not rely on restrictive sub-Gaussian noise assumptions, significantly broadening the applicability of gradient clipping.

Trial and Trust: Addressing Byzantine Attacks with Comprehensive Defense Strategy

Recent advancements in machine learning have improved performance while also increasing computational demands. While federated and distributed setups address these issues, their structure is vulnerable to malicious influences. In this paper, we address a specific threat, Byzantine attacks, where compromised clients inject adversarial updates to derail global convergence. We combine the trust scores concept with trial function methodology to dynamically filter outliers. Our methods address the critical limitations of previous approaches, allowing functionality even when Byzantine nodes are in the majority. Moreover, our algorithms adapt to widely used scaled methods like Adam and RMSProp, as well as practical scenarios, including local training and partial participation. We validate the robustness of our methods by conducting extensive experiments on both synthetic and real ECG data collected from medical institutions. Furthermore, we provide a broad theoretical analysis of our algorithms and their extensions to aforementioned practical setups. The convergence guarantees of our methods are comparable to those of classical algorithms developed without Byzantine interference.

Broadening Discovery through Structural Models: Multimodal Combination of Local and Structural Properties for Predicting Chemical Features

In recent years, machine learning has profoundly reshaped the field of chemistry, facilitating significant advancements across various applications, including the prediction of molecular properties and the generation of molecular structures. Language models and graph-based models are extensively utilized within this domain, consistently achieving state-of-the-art results across an array of tasks. However, the prevailing practice of representing chemical compounds in the SMILES format -- used by most datasets and many language models -- presents notable limitations as a training data format. In contrast, chemical fingerprints offer a more physically informed representation of compounds, thereby enhancing their suitability for model training. This study aims to develop a language model that is specifically trained on fingerprints. Furthermore, we introduce a bimodal architecture that integrates this language model with a graph model. Our proposed methodology synthesizes these approaches, utilizing RoBERTa as the language model and employing Graph Isomorphism Networks (GIN), Graph Convolutional Networks (GCN) and Graphormer as graph models. This integration results in a significant improvement in predictive performance compared to conventional strategies for tasks such as Quantitative Structure-Activity Relationship (QSAR) and the prediction of nuclear magnetic resonance (NMR) spectra, among others.

Variance Reduction Methods Do Not Need to Compute Full Gradients: Improved Efficiency through Shuffling

In today's world, machine learning is hard to imagine without large training datasets and models. This has led to the use of stochastic methods for training, such as stochastic gradient descent (SGD). SGD provides weak theoretical guarantees of convergence, but there are modifications, such as Stochastic Variance Reduced Gradient (SVRG) and StochAstic Recursive grAdient algoritHm (SARAH), that can reduce the variance. These methods require the computation of the full gradient occasionally, which can be time consuming. In this paper, we explore variants of variance reduction algorithms that eliminate the need for full gradient computations. To make our approach memory-efficient and avoid full gradient computations, we use two key techniques: the shuffling heuristic and idea of SAG/SAGA methods. As a result, we improve existing estimates for variance reduction algorithms without the full gradient computations. Additionally, for the non-convex objective function, our estimate matches that of classic shuffling methods, while for the strongly convex one, it is an improvement. We conduct comprehensive theoretical analysis and provide extensive experimental results to validate the efficiency and practicality of our methods for large-scale machine learning problems.

Accelerated Methods with Compressed Communications for Distributed Optimization Problems under Data Similarity

In recent years, as data and problem sizes have increased, distributed learning has become an essential tool for training high-performance models. However, the communication bottleneck, especially for high-dimensional data, is a challenge. Several techniques have been developed to overcome this problem. These include communication compression and implementation of local steps, which work particularly well when there is similarity of local data samples. In this paper, we study the synergy of these approaches for efficient distributed optimization. We propose the first theoretically grounded accelerated algorithms utilizing unbiased and biased compression under data similarity, leveraging variance reduction and error feedback frameworks. Our results are of record and confirmed by experiments on different average losses and datasets.