The study of multimodality has garnered significant interest in fields where the analysis of interactions among multiple information sources can enhance predictive modeling, data fusion, and interpretability. Partial information decomposition (PID) has emerged as a useful information-theoretic framework to quantify the degree to which individual modalities independently, redundantly, or synergistically convey information about a target variable. However, existing PID methods depend on optimizing over a joint distribution constrained by estimated pairwise probability distributions, which are costly and inaccurate for continuous and high-dimensional modalities. Our first key insight is that the problem can be solved efficiently when the pairwise distributions are multivariate Gaussians, and we refer to this problem as Gaussian PID (GPID). We propose a new gradient-based algorithm that substantially improves the computational efficiency of GPID based on an alternative formulation of the underlying optimization problem. To generalize the applicability to non-Gaussian data, we learn information-preserving encoders to transform random variables of arbitrary input distributions into pairwise Gaussian random variables. Along the way, we resolved an open problem regarding the optimality of joint Gaussian solutions for GPID. Empirical validation in diverse synthetic examples demonstrates that our proposed method provides more accurate and efficient PID estimates than existing baselines. We further evaluate a series of large-scale multimodal benchmarks to show its utility in real-world applications of quantifying PID in multimodal datasets and selecting high-performing models.

Smoothness is known to be crucial for acceleration in offline optimization, and for gradient-variation regret minimization in online learning. Interestingly, these two problems are actually closely connected -- accelerated optimization can be understood through the lens of gradient-variation online learning. In this paper, we investigate online learning with Hölder smooth functions, a general class encompassing both smooth and non-smooth (Lipschitz) functions, and explore its implications for offline optimization.

Performative prediction is a recently proposed framework where predictions guide decision-making and hence influence future data distributions. Such performative phenomena are ubiquitous in various areas, such as transportation, finance, public policy, and recommendation systems. To date, work on performative prediction has only focused on unconstrained scenarios, neglecting the fact that many realworld learning problems are subject to constraints.

We study the problem of estimating the mean reward of the best arm in a multiarmed bandit (MAB) setting. Specifically, given a target precision εand confidence level 1 δ, the goal is to return an ε-accurate estimate of the largest mean reward with probability at least 1 δ, while minimizing the number of samples. We first establish an instance-dependent lower bound on the sample complexity, which requires handling the infinitely many possible candidates of the estimated best mean. This lower bound is expressed in a non-convex optimization problem, which becomes the main difficulty of this problem, preventing the direct application of standard techniques such as Track-and-Stop to provably achieve optimality. To overcome this difficulty, we introduce several new algorithmic and analytical techniques and propose an algorithm that achieves the asymptotic lower bound with matching constants in the leading term. Our method combines a confidence ellipsoid-based stopping condition with a two-phase sampling strategy tailored to manage non-convexity proposed algorithm is simple, nearly free of hyperparameters, and achieves the instance-dependent, asymptotically optimal sample complexity. Experimental results support our theoretical guarantees and demonstrate the practical effectiveness of our method.

Recent years have witnessed a surge of interest in solving combinatorial optimization problems (COPs) using machine learning techniques. Motivated by this trend, we propose a learning-augmented exact approach for tackling an NP-hard COP, the Orienteering Problem with Time Windows, which aims to maximize the total score collected by visiting a subset of vertices in a graph within their time windows. Traditional exact algorithms rely heavily on domain expertise and meticulous design, making it hard to achieve further improvements. By leveraging deep learning models to learn effective relaxations of problem restrictions from data, our approach enables significant performance gains in an exact dynamic programming algorithm. We propose a novel graph convolutional network that predicts the directed edges defining the relaxation. The network is trained in a supervised manner, using optimal solutions as high-quality labels. Experimental results demonstrate that the proposed learning-augmented algorithm outperforms the state-of-the-art exact algorithm, achieving a 38% speedup on Solomon's benchmark and more than a sevenfold improvement on the more challenging Cordeau's benchmark.

Given a collection of monotone submodular functions, the goal of Two-Stage Submodular Maximization (2SSM) [Balkanski et al., 2016] is to restrict the ground set so an objective selected u.a.r.

Diffusion models (DMs) have emerged as powerful tools for modeling complex data distributions and generating realistic new samples. Over the years, advanced architectures and sampling methods have been developed to make these models practically usable. However, certain synthesis process decisions still rely on heuristics without a solid theoretical foundation. In our work, we offer a novel analysis of the DM's inference process, introducing a comprehensive frequency response perspective. Specifically, by relying on Gaussianity assumption, we present the inference process as a closed-form spectral transfer function, capturing how the generated signal evolves in response to the initial noise. We demonstrate how the proposed analysis can be leveraged to design a noise schedule that aligns effectively with the characteristics of the data. The spectral perspective also provides insights into the underlying dynamics and sheds light on the relationship between spectral properties and noise schedule structure. Our results lead to scheduling curves that are dependent on the spectral content of the data, offering a theoretical justification for some of the heuristics taken by practitioners.

Multi-objective optimization problems (MOPs) are prevalent in numerous real-world applications. Recently, Pareto Set Learning (PSL) has emerged as a powerful paradigm for solving MOPs. PSL can produce a neural network for modeling the set of all Pareto optimal solutions. However, applying PSL to black-box objectives, particularly those exhibiting non-separability, high dimensionality, and/or other complex properties, remains very challenging. To address this issue, we propose leveraging evolution strategies (ESs), a class of specialized black-box optimization algorithms, within the PSL paradigm. Traditional ESs capture the complex dimensional dependencies less efficiently, which can significantly hinder their performance in PSL. To tackle this issue, we suggest encapsulating the dependencies within a neural network, which is then trained using a novel gradient estimation method. The proposed method, termed Neural-ES, is evaluated using a bespoke benchmark suite for black-box PSL. Experimental comparisons with other methods demonstrate the efficiency of Neural-ES, underscoring its ability to learn the Pareto sets of challenging black-box MOPs.

Physics-informed neural networks (PINNs) have shown significant promise in computational science and engineering, yet they often face optimization challenges and limited accuracy. In this work, we identify directional gradient conflicts during PINN training as a critical bottleneck. We introduce a novel gradient alignment score to systematically diagnose this issue through both theoretical analysis and empirical experiments. Building on these insights, we show that (quasi) second-order optimization methods inherently mitigate gradient conflicts, thereby consistently outperforming the widely used Adam optimizer. Among them, we highlight the effectiveness of SOAP \cite{vyas2024soap} by establishing its connection to Newton's method. Empirically, SOAP achieves state-of-the-art results on 10 challenging PDE benchmarks, including the first successful application of PINNs to turbulent flows at Reynolds numbers up to 10,000. It yields 2-10x accuracy improvements over existing methods while maintaining computational scalability, advancing the frontier of neural PDE solvers for real-world, multi-scale physical systems.

Trees and the associated shortest-path tree metrics provide a powerful framework for representing hierarchical and combinatorial structures in data. Given an arbitrary metric space, its deviation from a tree metric can be quantified by Gromov's $\delta$-hyperbolicity. Nonetheless, designing algorithms that bridge an arbitrary metric to its closest tree metric is still a vivid subject of interest, as most common approaches are either heuristical and lack guarantees, or perform moderately well. In this work, we introduce a novel differentiable optimization framework, coined DeltaZero, that solves this problem. Our method leverages a smooth surrogate for Gromov's $\delta$-hyperbolicity which enables a gradient-based optimization, with a tractable complexity. The corresponding optimization procedure is derived from a problem with better worst case guarantees than existing bounds, and is justified statistically. Experiments on synthetic and real-world datasets demonstrate that our method consistently achieves state-of-the-art distortion.