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 Optimization


A stochastic gradient method for trilevel optimization

arXiv.org Machine Learning

With the success that the field of bilevel optimization has seen in recent years, similar methodologies have started being applied to solving more difficult applications that arise in trilevel optimization. At the helm of these applications are new machine learning formulations that have been proposed in the trilevel context and, as a result, efficient and theoretically sound stochastic methods are required. In this work, we propose the first-ever stochastic gradient descent method for solving unconstrained trilevel optimization problems and provide a convergence theory that covers all forms of inexactness of the trilevel adjoint gradient, such as the inexact solutions of the middle-level and lower-level problems, inexact computation of the trilevel adjoint formula, and noisy estimates of the gradients, Hessians, Jacobians, and tensors of third-order derivatives involved. We also demonstrate the promise of our approach by providing numerical results on both synthetic trilevel problems and trilevel formulations for hyperparameter adversarial tuning.


Adaptive Learning-based Surrogate Method for Stochastic Programs with Implicitly Decision-dependent Uncertainty

arXiv.org Machine Learning

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not readily obtainable due to the latent decision dependency. To deal with such a computational difficulty, we develop an adaptive learning-based surrogate method that integrates the simulation scheme and statistical estimates to construct estimation-based surrogate functions in a way that the simulation process is adaptively guided by the algorithmic procedure. We establish the non-asymptotic convergence rate analysis in terms of $(ν, δ)$-near stationarity in expectation under variable proximal parameters and batch sizes, which exhibits the superior convergence performance and enhanced stability in both theory and practice. We provide numerical results with both synthetic and real data which illustrate the benefits of the proposed algorithm in terms of algorithmic stability and efficiency.


Optimal Transport for Machine Learners

arXiv.org Machine Learning

Optimal Transport is a foundational mathematical theory that connects optimization, partial differential equations, and probability. It offers a powerful framework for comparing probability distributions and has recently become an important tool in machine learning, especially for designing and evaluating generative models. These course notes cover the fundamental mathematical aspects of OT, including the Monge and Kantorovich formulations, Brenier's theorem, the dual and dynamic formulations, the Bures metric on Gaussian distributions, and gradient flows. It also introduces numerical methods such as linear programming, semi-discrete solvers, and entropic regularization. Applications in machine learning include topics like training neural networks via gradient flows, token dynamics in transformers, and the structure of GANs and diffusion models. These notes focus primarily on mathematical content rather than deep learning techniques.


Learning from Samples: Inverse Problems over measures via Sharpened Fenchel-Young Losses

arXiv.org Machine Learning

Estimating parameters from samples of an optimal probability distribution is essential in applications ranging from socio-economic modeling to biological system analysis. In these settings, the probability distribution arises as the solution to an optimization problem that captures either static interactions among agents or the dynamic evolution of a system over time. Our approach relies on minimizing a new class of loss functions, called sharpened Fenchel-Young losses, which measure the sub-optimality gap of the optimization problem over the space of measures. We study the stability of this estimation method when only a finite number of sample is available. The parameters to be estimated typically correspond to a cost function in static problems and to a potential function in dynamic problems. To analyze stability, we introduce a general methodology that leverages the strong convexity of the loss function together with the sample complexity of the forward optimization problem. Our analysis emphasizes two specific settings in the context of optimal transport, where our method provides explicit stability guarantees: The first is inverse unbalanced optimal transport (iUOT) with entropic regularization, where the parameters to estimate are cost functions that govern transport computations; this method has applications such as link prediction in machine learning. The second is inverse gradient flow (iJKO), where the objective is to recover a potential function that drives the evolution of a probability distribution via the Jordan-Kinderlehrer-Otto (JKO) time-discretization scheme; this is particularly relevant for understanding cell population dynamics in single-cell genomics. Finally, we validate our approach through numerical experiments on Gaussian distributions, where closed-form solutions are available, to demonstrate the practical performance of our methods


Stiffness-based Analytic Centre Method for Cable-Driven Parallel Robots

arXiv.org Artificial Intelligence

Nowadays, being fast and precise are key requirements in Robotics. This work introduces a novel methodology to tune the stiffness of Cable-Driven Parallel Robots (CDPRs) while simultaneously addressing the tension distribution problem. In particular, the approach relies on the Analytic-Centre method. Indeed, weighting the barrier functions makes natural the stiffness adaptation. The intrinsic ability to adjust the stiffness during the execution of the task enables the CDPRs to effectively meet above-mentioned requirements. The capabilities of the method are demonstrated through simulations by comparing it with the existing approach.


Direct Data Driven Control Using Noisy Measurements

arXiv.org Artificial Intelligence

XX, XXXX 2017 1 Direct Data Driven Control Using Noisy Measurements Ramin Esmzad, Gokul S. Sankar, T eawon Han, Hamidreza Modares, Senior, IEEE Abstract -- This paper presents a novel direct data-driven control framework for solving the linear quadratic regulator (LQR) under disturbances and noisy state measurements. The system dynamics are assumed unknown, and the LQR solution is learned using only a single trajectory of noisy input-output data while bypassing system identification. Our approach guarantees mean-square stability (MSS) and optimal performance by leveraging convex optimization techniques that incorporate noise statistics directly into the controller synthesis. First, we establish a theoretical result showing that the MSS of an uncertain data-driven system implies the MSS of the true closed-loop system. Building on this, we develop a robust stability condition using linear matrix inequalities (LMIs) that yields a stabilizing controller gain from noisy measurements. Finally, we formulate a data-driven LQR problem as a semidefinite program (SDP) that computes an optimal gain, minimizing the steady-state covariance. Extensive simulations on benchmark systems--including a rotary inverted pendulum and an active suspension system--demonstrate the superior robustness and accuracy of our method compared to existing data-driven LQR approaches. The proposed framework offers a practical and theoretically grounded solution for controller design in noise-corrupted environments where system identification is infeasible. I NTRODUCTION D IRECT data-driven control has recently gained a surge of interest due to its control-oriented approach to solving control design problems [1]-[3]. That is, controller parameters are learned directly using input-output or input-state trajectories, without explicitly constructing a predictive model of the system. Bypassing system identification allows for leveraging the collected data to achieve what is best for the control objectives rather than using the data to fit a predictive model.


Mixed-Integer Optimization for Responsible Machine Learning

arXiv.org Machine Learning

In the last few decades, Machine Learning (ML) has achieved significant success across domains ranging from healthcare, sustainability, and the social sciences, to criminal justice and finance. But its deployment in increasingly sophisticated, critical, and sensitive areas affecting individuals, the groups they belong to, and society as a whole raises critical concerns around fairness, transparency, robustness, and privacy, among others. As the complexity and scale of ML systems and of the settings in which they are deployed grow, so does the need for responsible ML methods that address these challenges while providing guaranteed performance in deployment. Mixed-integer optimization (MIO) offers a powerful framework for embedding responsible ML considerations directly into the learning process while maintaining performance. For example, it enables learning of inherently transparent models that can conveniently incorporate fairness or other domain specific constraints. This tutorial paper provides an accessible and comprehensive introduction to this topic discussing both theoretical and practical aspects. It outlines some of the core principles of responsible ML, their importance in applications, and the practical utility of MIO for building ML models that align with these principles. Through examples and mathematical formulations, it illustrates practical strategies and available tools for efficiently solving MIO problems for responsible ML. It concludes with a discussion on current limitations and open research questions, providing suggestions for future work.


FIC-TSC: Learning Time Series Classification with Fisher Information Constraint

arXiv.org Artificial Intelligence

Analyzing time series data is crucial to a wide spectrum of applications, including economics, online marketplaces, and human healthcare. In particular, time series classification plays an indispensable role in segmenting different phases in stock markets, predicting customer behavior, and classifying worker actions and engagement levels. These aspects contribute significantly to the advancement of automated decision-making and system optimization in real-world applications. However, there is a large consensus that time series data often suffers from domain shifts between training and test sets, which dramatically degrades the classification performance. Despite the success of (reversible) instance normalization in handling the domain shifts for time series regression tasks, its performance in classification is unsatisfactory. In this paper, we propose \textit{FIC-TSC}, a training framework for time series classification that leverages Fisher information as the constraint. We theoretically and empirically show this is an efficient and effective solution to guide the model converge toward flatter minima, which enhances its generalizability to distribution shifts. We rigorously evaluate our method on 30 UEA multivariate and 85 UCR univariate datasets. Our empirical results demonstrate the superiority of the proposed method over 14 recent state-of-the-art methods.


UniSymNet: A Unified Symbolic Network Guided by Transformer

arXiv.org Artificial Intelligence

Symbolic Regression (SR) is a powerful technique for automatically discovering mathematical expressions from input data. Mainstream SR algorithms search for the optimal symbolic tree in a vast function space, but the increasing complexity of the tree structure limits their performance. Inspired by neural networks, symbolic networks have emerged as a promising new paradigm. However, most existing symbolic networks still face certain challenges: binary nonlinear operators $\{\times, ÷\}$ cannot be naturally extended to multivariate operators, and training with fixed architecture often leads to higher complexity and overfitting. In this work, we propose a Unified Symbolic Network that unifies nonlinear binary operators into nested unary operators and define the conditions under which UniSymNet can reduce complexity. Moreover, we pre-train a Transformer model with a novel label encoding method to guide structural selection, and adopt objective-specific optimization strategies to learn the parameters of the symbolic network. UniSymNet shows high fitting accuracy, excellent symbolic solution rate, and relatively low expression complexity, achieving competitive performance on low-dimensional Standard Benchmarks and high-dimensional SRBench.


MxMoE: Mixed-precision Quantization for MoE with Accuracy and Performance Co-Design

arXiv.org Artificial Intelligence

Mixture-of-Experts (MoE) models face deployment challenges due to their large parameter counts and computational demands. We explore quantization for MoE models and highlight two key insights: 1) linear blocks exhibit varying quantization sensitivity, and 2) divergent expert activation frequencies create heterogeneous computational characteristics. Based on these observations, we introduce MxMoE, a mixed-precision optimization framework for MoE models that considers both algorithmic and system perspectives. MxMoE navigates the design space defined by parameter sensitivity, expert activation dynamics, and hardware resources to derive efficient mixed-precision configurations. Additionally, MxMoE automatically generates optimized mixed-precision GroupGEMM kernels, enabling parallel execution of GEMMs with different precisions. Evaluations show that MxMoE outperforms existing methods, achieving 2.4 lower Wikitext-2 perplexity than GPTQ at 2.25-bit and delivering up to 3.4x speedup over full precision, as well as up to 29.4% speedup over uniform quantization at equivalent accuracy with 5-bit weight-activation quantization. Our code is available at https://github.com/cat538/MxMoE.