Models trained on data composed of different groups or domains can suffer from severe performance degradation under distribution shifts. While recent methods have largely focused on optimizing the worst-group objective, this often comes at the expense of good performance on other groups. To address this problem, we introduce an optimization scheme to achieve good performance across groups and find a good solution for all without severely sacrificing performance on any of them. However, directly applying such optimization involves updating the parameters of the entire network, making it both computationally expensive and challenging. Thus, we introduce Controllable Prompt Tuning (CPT), which couples our approach with prompt-tuning techniques. On spurious correlation benchmarks, our procedures achieve state-of-the-art results across both transformer and non-transformer architectures, as well as unimodal and multimodal data, while requiring only 0.4% tunable parameters.

Inverse optimization involves inferring unknown parameters of an optimization problem from known solutions and is widely used in fields such as transportation, power systems, and healthcare. We study the contextual inverse optimization setting that utilizes additional contextual information to better predict the unknown problem parameters. We focus on contextual inverse linear programming (CILP), addressing the challenges posed by the non-differentiable nature of LPs. For a linear prediction model, we reduce CILP to a convex feasibility problem allowing the use of standard algorithms such as alternating projections. The resulting algorithm for CILP is equipped with theoretical convergence guarantees without additional assumptions such as degeneracy or interpolation. Next, we reduce CILP to empirical risk minimization (ERM) on a smooth, convex loss that satisfies the Polyak-Lojasiewicz condition. This reduction enables the use of scalable first-order optimization methods to solve large non-convex problems while maintaining theoretical guarantees in the convex setting. Subsequently, we use the reduction to ERM to quantify the generalization performance of the proposed algorithm on previously unseen instances. Finally, we experimentally validate our approach on synthetic and real-world problems and demonstrate improved performance compared to existing methods.

Many machine learning applications are naturally formulated as optimization problems on Riemannian manifolds. The main idea behind Riemannian optimization is to maintain the feasibility of the variables while moving along a descent direction on the manifold. This results in updating all the variables at every iteration. In this work, we provide a general framework for developing computationally efficient coordinate descent (CD) algorithms on matrix manifolds that allows updating only a few variables at every iteration while adhering to the manifold constraint. In particular, we propose CD algorithms for various manifolds such as Stiefel, Grassmann, (generalized) hyperbolic, symplectic, and symmetric positive (semi)definite. While the cost per iteration of the proposed CD algorithms is low, we further develop a more efficient variant via a first-order approximation of the objective function. We analyze their convergence and complexity, and empirically illustrate their efficacy in several applications.

We propose a novel class of Nesterov's stochastic accelerated forward-reflected-based methods with variance reduction to solve root-finding problems under $\frac{1}{L}$-co-coerciveness. Our algorithm is single-loop and leverages a new family of unbiased variance-reduced estimators specifically designed for root-finding problems. It achieves both $\mathcal{O}(L^2/k^2)$ and $o(1/k^2)$-last-iterate convergence rates in terms of expected operator squared norm, where $k$ denotes the iteration counter. We instantiate our framework for two prominent estimators: SVRG and SAGA. By an appropriate choice of parameters, both variants attain an oracle complexity of $\mathcal{O}( n + Ln^{2/3}\epsilon^{-1})$ to reach an $\epsilon$-solution, where $n$ represents the number of summands in the finite-sum operator. Furthermore, under $\mu$-strong quasi-monotonicity, our method achieves a linear convergence rate and an oracle complexity of $\mathcal{O}(n+ \kappa n^{2/3}\log(\epsilon^{-1}))$, where $\kappa := \frac{L}{\mu}$. We extend our approach to solve a class of finite-sum monotone inclusions, demonstrating that our schemes retain the same theoretical guarantees as in the equation setting. Finally, numerical experiments validate our algorithms and demonstrate their promising performance compared to state-of-the-art methods.

We propose adaptive, line search-free second-order methods with optimal rate of convergence for solving convex-concave min-max problems. By means of an adaptive step size, our algorithms feature a simple update rule that requires solving only one linear system per iteration, eliminating the need for line search or backtracking mechanisms. Specifically, we base our algorithms on the optimistic method and appropriately combine it with second-order information. Moreover, distinct from common adaptive schemes, we define the step size recursively as a function of the gradient norm and the prediction error in the optimistic update. We first analyze a variant where the step size requires knowledge of the Lipschitz constant of the Hessian. Under the additional assumption of Lipschitz continuous gradients, we further design a parameter-free version by tracking the Hessian Lipschitz constant locally and ensuring the iterates remain bounded. We also evaluate the practical performance of our algorithm by comparing it to existing second-order algorithms for minimax optimization.

A coreset of a dataset with $n$ examples and $d$ features is a weighted subset of examples that is sufficient for solving downstream data analytic tasks. Nearly optimal constructions of coresets for least squares and $\ell_p$ linear regression with a single response are known in prior work. However, for multiple $\ell_p$ regression where there can be $m$ responses, there are no known constructions with size sublinear in $m$. In this work, we construct coresets of size $\tilde O(\varepsilon^{-2}d)$ for $p<2$ and $\tilde O(\varepsilon^{-p}d^{p/2})$ for $p>2$ independently of $m$ (i.e., dimension-free) that approximate the multiple $\ell_p$ regression objective at every point in the domain up to $(1\pm\varepsilon)$ relative error. If we only need to preserve the minimizer subject to a subspace constraint, we improve these bounds by an $\varepsilon$ factor for all $p>1$. All of our bounds are nearly tight. We give two application of our results. First, we settle the number of uniform samples needed to approximate $\ell_p$ Euclidean power means up to a $(1+\varepsilon)$ factor, showing that $\tilde\Theta(\varepsilon^{-2})$ samples for $p = 1$, $\tilde\Theta(\varepsilon^{-1})$ samples for $1 < p < 2$, and $\tilde\Theta(\varepsilon^{1-p})$ samples for $p>2$ is tight, answering a question of Cohen-Addad, Saulpic, and Schwiegelshohn. Second, we show that for $1

In Artificial Intelligence, there is an increasing demand for adaptive models capable of dealing with a diverse spectrum of learning tasks, surpassing the limitations of systems devised to cope with a single task. The recent emergence of General-Purpose Artificial Intelligence Systems (GPAIS) poses model configuration and adaptability challenges at far greater complexity scales than the optimal design of traditional Machine Learning models. Evolutionary Computation (EC) has been a useful tool for both the design and optimization of Machine Learning models, endowing them with the capability to configure and/or adapt themselves to the task under consideration. Therefore, their application to GPAIS is a natural choice. This paper aims to analyze the role of EC in the field of GPAIS, exploring the use of EC for their design or enrichment. We also match GPAIS properties to Machine Learning areas in which EC has had a notable contribution, highlighting recent milestones of EC for GPAIS. Furthermore, we discuss the challenges of harnessing the benefits of EC for GPAIS, presenting different strategies to both design and improve GPAIS with EC, covering tangential areas, identifying research niches, and outlining potential research directions for EC and GPAIS.

Stochastic second-order methods achieve fast local convergence in strongly convex optimization by using noisy Hessian estimates to precondition the gradient. However, these methods typically reach superlinear convergence only when the stochastic Hessian noise diminishes, increasing per-iteration costs over time. Recent work in [arXiv:2204.09266] addressed this with a Hessian averaging scheme that achieves superlinear convergence without higher per-iteration costs. Nonetheless, the method has slow global convergence, requiring up to $\tilde{O}(\kappa^2)$ iterations to reach the superlinear rate of $\tilde{O}((1/t)^{t/2})$, where $\kappa$ is the problem's condition number. In this paper, we propose a novel stochastic Newton proximal extragradient method that improves these bounds, achieving a faster global linear rate and reaching the same fast superlinear rate in $\tilde{O}(\kappa)$ iterations. We accomplish this by extending the Hybrid Proximal Extragradient (HPE) framework, achieving fast global and local convergence rates for strongly convex functions with access to a noisy Hessian oracle.

Virtually all federated learning (FL) methods, including FedAvg, operate in the following manner: i) an orchestrating server sends the current model parameters to a cohort of clients selected via certain rule, ii) these clients then independently perform a local training procedure (e.g., via SGD or Adam) using their own training data, and iii) the resulting models are shipped to the server for aggregation. This process is repeated until a model of suitable quality is found. A notable feature of these methods is that each cohort is involved in a single communication round with the server only. In this work we challenge this algorithmic design primitive and investigate whether it is possible to ``squeeze more juice" out of each cohort than what is possible in a single communication round. Surprisingly, we find that this is indeed the case, and our approach leads to up to 74% reduction in the total communication cost needed to train a FL model in the cross-device setting. Our method is based on a novel variant of the stochastic proximal point method (SPPM-AS) which supports a large collection of client sampling procedures some of which lead to further gains when compared to classical client selection approaches.

Deep learning holds a big promise for optimizing existing peptides with more desirable properties, a critical step towards accelerating new drug discovery. Despite the recent emergence of several optimized Antimicrobial peptides(AMP) generation methods, multi-objective optimizations remain still quite challenging for the idealism-realism tradeoff. Here, we establish a multi-objective AMP synthesis pipeline (MoFormer) for the simultaneous optimization of multi-attributes of AMPs. MoFormer improves the desired attributes of AMP sequences in a highly structured latent space, guided by conditional constraints and fine-grained multi-descriptor.We show that MoFormer outperforms existing methods in the generation task of enhanced antimicrobial activity and minimal hemolysis. We also utilize a Pareto-based non-dominated sorting algorithm and proxies based on large model fine-tuning to hierarchically rank the candidates. We demonstrate substantial property improvement using MoFormer from two perspectives: (1) employing molecular simulations and scoring interactions among amino acids to decipher the structure and functionality of AMPs; (2) visualizing latent space to examine the qualities and distribution features, verifying an effective means to facilitate multi-objective optimization AMPs with design constraints.