pwc-archive/papers-with-abstracts huggingface dataset:
Circular Microalgae-Based Carbon Control for Net Zero
Authors: Federico Zocco, Joan García, Wassim M. Haddad
Date: 2025-02-04 00:00:00
Tasks: Reinforcement Learning (RL)

The alteration of the climate in various areas of the world is of increasing concern since climate stability is a necessary condition for human survival as well as every living organism. The main reason of climate change is the greenhouse effect caused by the accumulation of carbon dioxide in the atmosphere. In this paper, we design a networked system underpinned by compartmental dynamical thermodynamics to circulate the atmospheric carbon dioxide. Specifically, in the carbon dioxide emitter compartment, we develop an initial-condition-dependent finite-time stabilizing controller that guarantees stability within a desired time leveraging the system property of affinity in the control. Then, to compensate for carbon emissions we show that a cultivation of microalgae with a volume 625 times bigger than the one of the carbon emitter is required. To increase the carbon uptake of the microalgae, we implement the nonaffine-in-the-control microalgae dynamical equations as an environment of a state-of-the-art library for reinforcement learning (RL), namely, Stable-Baselines3, and then, through the library, we test the performance of eight RL algorithms for training a controller that maximizes the microalgae absorption of carbon through the light intensity. All the eight controllers increased the carbon absorption of the cultivation during a training of 200,000 time steps with a maximum episode length of 200 time steps and with no termination conditions. This work is a first step towards approaching net zero as a classical and learning-based network control problem. The source code is publicly available.
Training in reverse: How iteration order influences convergence and stability in deep learning
Authors: Benoit Dherin, Benny Avelin, Anders Karlsson, Hanna Mazzawi, Javier Gonzalvo, Michael Munn
Date: 2025-02-03 00:00:00

Despite exceptional achievements, training neural networks remains computationally expensive and is often plagued by instabilities that can degrade convergence. While learning rate schedules can help mitigate these issues, finding optimal schedules is time-consuming and resource-intensive. This work explores theoretical issues concerning training stability in the constant-learning-rate (i.e., without schedule) and small-batch-size regime. Surprisingly, we show that the order of gradient updates affects stability and convergence in gradient-based optimizers. We illustrate this new line of thinking using backward-SGD, which processes batch gradient updates like SGD but in reverse order. Our theoretical analysis shows that in contractive regions (e.g., around minima) backward-SGD converges to a point while the standard forward-SGD generally only converges to a distribution. This leads to improved stability and convergence which we demonstrate experimentally. While full backward-SGD is computationally intensive in practice, it highlights opportunities to exploit reverse training dynamics (or more generally alternate iteration orders) to improve training. To our knowledge, this represents a new and unexplored avenue in deep learning optimization.
A weak convergence approach to large deviations for stochastic approximations
Authors: Henrik Hult, Adam Lindhe, Pierre Nyquist, Guo-Jhen Wu
Date: 2025-02-04 00:00:00

The theory of stochastic approximations form the theoretical foundation for studying convergence properties of many popular recursive learning algorithms in statistics, machine learning and statistical physics. Large deviations for stochastic approximations provide asymptotic estimates of the probability that the learning algorithm deviates from its expected path, given by a limit ODE, and the large deviation rate function gives insights to the most likely way that such deviations occur. In this paper we prove a large deviation principle for general stochastic approximations with state-dependent Markovian noise and decreasing step size. Using the weak convergence approach to large deviations, we generalize previous results for stochastic approximations and identify the appropriate scaling sequence for the large deviation principle. We also give a new representation for the rate function, in which the rate function is expressed as an action functional involving the family of Markov transition kernels. Examples of learning algorithms that are covered by the large deviation principle include stochastic gradient descent, persistent contrastive divergence and the Wang-Landau algorithm.
Coreset-Based Task Selection for Sample-Efficient Meta-Reinforcement Learning
Authors: Donglin Zhan, Leonardo F. Toso, James Anderson
Date: 2025-02-04 00:00:00
Tasks: Meta Reinforcement Learning

We study task selection to enhance sample efficiency in model-agnostic meta-reinforcement learning (MAML-RL). Traditional meta-RL typically assumes that all available tasks are equally important, which can lead to task redundancy when they share significant similarities. To address this, we propose a coreset-based task selection approach that selects a weighted subset of tasks based on how diverse they are in gradient space, prioritizing the most informative and diverse tasks. Such task selection reduces the number of samples needed to find an $\epsilon$-close stationary solution by a factor of O(1/$\epsilon$). Consequently, it guarantees a faster adaptation to unseen tasks while focusing training on the most relevant tasks. As a case study, we incorporate task selection to MAML-LQR (Toso et al., 2024b), and prove a sample complexity reduction proportional to O(log(1/$\epsilon$)) when the task specific cost also satisfy gradient dominance. Our theoretical guarantees underscore task selection as a key component for scalable and sample-efficient meta-RL. We numerically validate this trend across multiple RL benchmark problems, illustrating the benefits of task selection beyond the LQR baseline.
Exact Sequence Classification with Hardmax Transformers
Authors: Albert Alcalde, Giovanni Fantuzzi, Enrique Zuazua
Date: 2025-02-04 00:00:00
Tasks: Classification

We prove that hardmax attention transformers perfectly classify datasets of $N$ labeled sequences in $\mathbb{R}^d$, $d\geq 2$. Specifically, given $N$ sequences with an arbitrary but finite length in $\mathbb{R}^d$, we construct a transformer with $\mathcal{O}(N)$ blocks and $\mathcal{O}(Nd)$ parameters perfectly classifying this dataset. Our construction achieves the best complexity estimate to date, independent of the length of the sequences, by innovatively alternating feed-forward and self-attention layers and by capitalizing on the clustering effect inherent to the latter. Our novel constructive method also uses low-rank parameter matrices within the attention mechanism, a common practice in real-life transformer implementations. Consequently, our analysis holds twofold significance: it substantially advances the mathematical theory of transformers and it rigorously justifies their exceptional real-world performance in sequence classification tasks.
How Memory in Optimization Algorithms Implicitly Modifies the Loss
Authors: Matias D. Cattaneo, Boris Shigida
Date: 2025-02-04 00:00:00

In modern optimization methods used in deep learning, each update depends on the history of previous iterations, often referred to as memory, and this dependence decays fast as the iterates go further into the past. For example, gradient descent with momentum has exponentially decaying memory through exponentially averaged past gradients. We introduce a general technique for identifying a memoryless algorithm that approximates an optimization algorithm with memory. It is obtained by replacing all past iterates in the update by the current one, and then adding a correction term arising from memory (also a function of the current iterate). This correction term can be interpreted as a perturbation of the loss, and the nature of this perturbation can inform how memory implicitly (anti-)regularizes the optimization dynamics. As an application of our theory, we find that Lion does not have the kind of implicit anti-regularization induced by memory that AdamW does, providing a theory-based explanation for Lion's better generalization performance recently documented.
The Ball-Proximal (="Broximal") Point Method: a New Algorithm, Convergence Theory, and Applications
Authors: Kaja Gruntkowska, Hanmin Li, Aadi Rane, Peter Richtárik
Date: 2025-02-04 00:00:00
Tasks: global-optimization

Non-smooth and non-convex global optimization poses significant challenges across various applications, where standard gradient-based methods often struggle. We propose the Ball-Proximal Point Method, Broximal Point Method, or Ball Point Method (BPM) for short - a novel algorithmic framework inspired by the classical Proximal Point Method (PPM) (Rockafellar, 1976), which, as we show, sheds new light on several foundational optimization paradigms and phenomena, including non-convex and non-smooth optimization, acceleration, smoothing, adaptive stepsize selection, and trust-region methods. At the core of BPM lies the ball-proximal ("broximal") operator, which arises from the classical proximal operator by replacing the quadratic distance penalty by a ball constraint. Surprisingly, and in sharp contrast with the sublinear rate of PPM in the nonsmooth convex regime, we prove that BPM converges linearly and in a finite number of steps in the same regime. Furthermore, by introducing the concept of ball-convexity, we prove that BPM retains the same global convergence guarantees under weaker assumptions, making it a powerful tool for a broader class of potentially non-convex optimization problems. Just like PPM plays the role of a conceptual method inspiring the development of practically efficient algorithms and algorithmic elements, e.g., gradient descent, adaptive step sizes, acceleration (Ahn & Sra, 2020), and "W" in AdamW (Zhuang et al., 2022), we believe that BPM should be understood in the same manner: as a blueprint and inspiration for further development.
Invariant Kernels: Rank Stabilization and Generalization Across Dimensions
Authors: Mateo Díaz, Dmitriy Drusvyatskiy, Jack Kendrick, Rekha R. Thomas
Date: 2025-02-03 00:00:00

Symmetry arises often when learning from high dimensional data. For example, data sets consisting of point clouds, graphs, and unordered sets appear routinely in contemporary applications, and exhibit rich underlying symmetries. Understanding the benefits of symmetry on the statistical and numerical efficiency of learning algorithms is an active area of research. In this work, we show that symmetry has a pronounced impact on the rank of kernel matrices. Specifically, we compute the rank of a polynomial kernel of fixed degree that is invariant under various groups acting independently on its two arguments. In concrete circumstances, including the three aforementioned examples, symmetry dramatically decreases the rank making it independent of the data dimension. In such settings, we show that a simple regression procedure is minimax optimal for estimating an invariant polynomial from finitely many samples drawn across different dimensions. We complete the paper with numerical experiments that illustrate our findings.
Score as Action: Fine-Tuning Diffusion Generative Models by Continuous-time Reinforcement Learning
Authors: Hanyang Zhao, Haoxian Chen, Ji Zhang, David D. Yao, Wenpin Tang
Date: 2025-02-03 00:00:00

Reinforcement learning from human feedback (RLHF), which aligns a diffusion model with input prompt, has become a crucial step in building reliable generative AI models. Most works in this area use a discrete-time formulation, which is prone to induced errors, and often not applicable to models with higher-order/black-box solvers. The objective of this study is to develop a disciplined approach to fine-tune diffusion models using continuous-time RL, formulated as a stochastic control problem with a reward function that aligns the end result (terminal state) with input prompt. The key idea is to treat score matching as controls or actions, and thereby making connections to policy optimization and regularization in continuous-time RL. To carry out this idea, we lay out a new policy optimization framework for continuous-time RL, and illustrate its potential in enhancing the value networks design space via leveraging the structural property of diffusion models. We validate the advantages of our method by experiments in downstream tasks of fine-tuning large-scale Text2Image models of Stable Diffusion v1.5.
On The Concurrence of Layer-wise Preconditioning Methods and Provable Feature Learning
Authors: Thomas T. Zhang, Behrad Moniri, Ansh Nagwekar, Faraz Rahman, Anton Xue, Hamed Hassani, Nikolai Matni
Date: 2025-02-03 00:00:00
Tasks: Representation Learning

Layer-wise preconditioning methods are a family of memory-efficient optimization algorithms that introduce preconditioners per axis of each layer's weight tensors. These methods have seen a recent resurgence, demonstrating impressive performance relative to entry-wise ("diagonal") preconditioning methods such as Adam(W) on a wide range of neural network optimization tasks. Complementary to their practical performance, we demonstrate that layer-wise preconditioning methods are provably necessary from a statistical perspective. To showcase this, we consider two prototypical models, linear representation learning and single-index learning, which are widely used to study how typical algorithms efficiently learn useful features to enable generalization. In these problems, we show SGD is a suboptimal feature learner when extending beyond ideal isotropic inputs $\mathbf{x} \sim \mathsf{N}(\mathbf{0}, \mathbf{I})$ and well-conditioned settings typically assumed in prior work. We demonstrate theoretically and numerically that this suboptimality is fundamental, and that layer-wise preconditioning emerges naturally as the solution. We further show that standard tools like Adam preconditioning and batch-norm only mildly mitigate these issues, supporting the unique benefits of layer-wise preconditioning.
Faster Adaptive Optimization via Expected Gradient Outer Product Reparameterization
Authors: Adela DePavia, Vasileios Charisopoulos, Rebecca Willett
Date: 2025-02-03 00:00:00
Tasks: Sensitivity

Adaptive optimization algorithms -- such as Adagrad, Adam, and their variants -- have found widespread use in machine learning, signal processing and many other settings. Several methods in this family are not rotationally equivariant, meaning that simple reparameterizations (i.e. change of basis) can drastically affect their convergence. However, their sensitivity to the choice of parameterization has not been systematically studied; it is not clear how to identify a "favorable" change of basis in which these methods perform best. In this paper we propose a reparameterization method and demonstrate both theoretically and empirically its potential to improve their convergence behavior. Our method is an orthonormal transformation based on the expected gradient outer product (EGOP) matrix, which can be approximated using either full-batch or stochastic gradient oracles. We show that for a broad class of functions, the sensitivity of adaptive algorithms to choice-of-basis is influenced by the decay of the EGOP matrix spectrum. We illustrate the potential impact of EGOP reparameterization by presenting empirical evidence and theoretical arguments that common machine learning tasks with "natural" data exhibit EGOP spectral decay.
qNBO: quasi-Newton Meets Bilevel Optimization
Authors: Sheng Fang, Yong-Jin Liu, Wei Yao, Chengming Yu, Jin Zhang
Date: 2025-02-03 00:00:00
Tasks: Bilevel Optimization, Hyperparameter Optimization, Meta-Learning

Bilevel optimization, addressing challenges in hierarchical learning tasks, has gained significant interest in machine learning. The practical implementation of the gradient descent method to bilevel optimization encounters computational hurdles, notably the computation of the exact lower-level solution and the inverse Hessian of the lower-level objective. Although these two aspects are inherently connected, existing methods typically handle them separately by solving the lower-level problem and a linear system for the inverse Hessian-vector product. In this paper, we introduce a general framework to address these computational challenges in a coordinated manner. Specifically, we leverage quasi-Newton algorithms to accelerate the resolution of the lower-level problem while efficiently approximating the inverse Hessian-vector product. Furthermore, by exploiting the superlinear convergence properties of BFGS, we establish the non-asymptotic convergence analysis of the BFGS adaptation within our framework. Numerical experiments demonstrate the comparable or superior performance of the proposed algorithms in real-world learning tasks, including hyperparameter optimization, data hyper-cleaning, and few-shot meta-learning.
Algorithmic Stability of Stochastic Gradient Descent with Momentum under Heavy-Tailed Noise
Authors: Thanh Dang, Melih Barsbey, A K M Rokonuzzaman Sonet, Mert Gurbuzbalaban, Umut Simsekli, Lingjiong Zhu
Date: 2025-02-02 00:00:00
Tasks: Generalization Bounds

Understanding the generalization properties of optimization algorithms under heavy-tailed noise has gained growing attention. However, the existing theoretical results mainly focus on stochastic gradient descent (SGD) and the analysis of heavy-tailed optimizers beyond SGD is still missing. In this work, we establish generalization bounds for SGD with momentum (SGDm) under heavy-tailed gradient noise. We first consider the continuous-time limit of SGDm, i.e., a Levy-driven stochastic differential equation (SDE), and establish quantitative Wasserstein algorithmic stability bounds for a class of potentially non-convex loss functions. Our bounds reveal a remarkable observation: For quadratic loss functions, we show that SGDm admits a worse generalization bound in the presence of heavy-tailed noise, indicating that the interaction of momentum and heavy tails can be harmful for generalization. We then extend our analysis to discrete-time and develop a uniform-in-time discretization error bound, which, to our knowledge, is the first result of its kind for SDEs with degenerate noise. This result shows that, with appropriately chosen step-sizes, the discrete dynamics retain the generalization properties of the limiting SDE. We illustrate our theory on both synthetic quadratic problems and neural networks.
Mirror Descent Under Generalized Smoothness
Authors: Dingzhi Yu, Wei Jiang, Yuanyu Wan, Lijun Zhang
Date: 2025-02-02 00:00:00

Smoothness is crucial for attaining fast rates in first-order optimization. However, many optimization problems in modern machine learning involve non-smooth objectives. Recent studies relax the smoothness assumption by allowing the Lipschitz constant of the gradient to grow with respect to the gradient norm, which accommodates a broad range of objectives in practice. Despite this progress, existing generalizations of smoothness are restricted to Euclidean geometry with $\ell_2$-norm and only have theoretical guarantees for optimization in the Euclidean space. In this paper, we address this limitation by introducing a new $\ell*$-smoothness concept that measures the norm of Hessians in terms of a general norm and its dual, and establish convergence for mirror-descent-type algorithms, matching the rates under the classic smoothness. Notably, we propose a generalized self-bounding property that facilitates bounding the gradients via controlling suboptimality gaps, serving as a principal component for convergence analysis. Beyond deterministic optimization, we establish an anytime convergence for stochastic mirror descent based on a new bounded noise condition that encompasses the widely adopted bounded or affine noise assumptions.
Optimization for Neural Operators can Benefit from Width
Authors: Pedro Cisneros-Velarde, Bhavesh Shrimali, Arindam Banerjee
Date: 2025-02-02 00:00:00
Tasks: Operator learning

Neural Operators that directly learn mappings between function spaces, such as Deep Operator Networks (DONs) and Fourier Neural Operators (FNOs), have received considerable attention. Despite the universal approximation guarantees for DONs and FNOs, there is currently no optimization convergence guarantee for learning such networks using gradient descent (GD). In this paper, we address this open problem by presenting a unified framework for optimization based on GD and applying it to establish convergence guarantees for both DONs and FNOs. In particular, we show that the losses associated with both of these neural operators satisfy two conditions -- restricted strong convexity (RSC) and smoothness -- that guarantee a decrease on their loss values due to GD. Remarkably, these two conditions are satisfied for each neural operator due to different reasons associated with the architectural differences of the respective models. One takeaway that emerges from the theory is that wider networks should lead to better optimization convergence for both DONs and FNOs. We present empirical results on canonical operator learning problems to support our theoretical results.
Functional role of synchronization: A mean-field control perspective
Authors: Prashant Mehta, Sean Meyn
Date: 2025-02-01 00:00:00

The broad goal of the research surveyed in this article is to develop methods for understanding the aggregate behavior of interconnected dynamical systems, as found in mathematical physics, neuroscience, economics, power systems and neural networks. Questions concern prediction of emergent (often unanticipated) phenomena, methods to formulate distributed control schemes to influence this behavior, and these topics prompt many other questions in the domain of learning. The area of mean field games, pioneered by Peter Caines, are well suited to addressing these topics. The approach is surveyed in the present paper within the context of controlled coupled oscillators.
Uniform-in-time weak propagation of chaos for consensus-based optimization
Authors: Erhan Bayraktar, Ibrahim Ekren, Hongyi Zhou
Date: 2025-02-01 00:00:00

We study the uniform-in-time weak propagation of chaos for the consensus-based optimization (CBO) method on a bounded searching domain. We apply the methodology for studying long-time behaviors of interacting particle systems developed in the work of Delarue and Tse (ArXiv:2104.14973). Our work shows that the weak error has order $O(N^{-1})$ uniformly in time, where $N$ denotes the number of particles. The main strategy behind the proofs are the decomposition of the weak errors using the linearized Fokker-Planck equations and the exponential decay of their Sobolev norms. Consequently, our result leads to the joint convergence of the empirical distribution of the CBO particle system to the Dirac-delta distribution at the global minimizer in population size and running time in Wasserstein-type metrics.