Many machine learning tasks, such as principal component analysis and low-rank matrix completion, give rise to manifold optimization problems. Although there is a large body of work studying the design and analysis of algorithms for manifold optimization in the centralized setting, there are currently very few works addressing the federated setting. In this paper, we consider nonconvex federated learningover a compact smooth submanifold in the setting of heterogeneous client data. We propose an algorithm that leverages stochastic Riemannian gradients and a manifold projection operator to improve computational efficiency, uses local updates to improve communication efficiency, and avoids client drift. Theoretically, we show that our proposed algorithm converges sub-linearly to a neighborhood of a first-order optimal solution by using a novel analysis that jointly exploits the manifold structure and properties of the loss functions. Numerical experiments demonstrate that our algorithm has significantly smaller computational and communication overhead than existing methods.

As a major unsupervised learning method, clustering has received a lot of attention over multiple decades. The various clustering problems that have been studied intensively include, e.g., the $k$-means problem and the $k$-center problem. However, in applications, it is common that good clusterings should optimize multiple objectives (e.g., visualizing data on a map by clustering districts into areas that are both geographically compact but also homogeneous with respect to the data). We study combinations of different objectives, for example optimizing $k$-center and $k$-means simultaneously or optimizing $k$-center with respect to two different metrics. Usually these objectives are conflicting and cannot be optimized simultaneously, making it necessary to find trade-offs. We develop novel algorithms for computing the set of Pareto-optimal solutions (approximately) for various combinations of two objectives. Our algorithms achieve provable approximation guarantees and we demonstrate in several experiments that the (approximate) Pareto set contains good clusterings that cannot be found by considering one of the objectives separately.

Physics-informed neural networks (PINNs) have emerged as a prominent approach for solving partial differential equations (PDEs) by minimizing a combined loss function that incorporates both boundary loss and PDE residual loss. Despite their remarkable empirical performance in various scientific computing tasks, PINNs often fail to generate reasonable solutions, and such pathological behaviors remain difficult to explain and resolve. In this paper, we identify that PINNs can be adversely trained when gradients of each loss function exhibit a significant imbalance in their magnitudes and present a negative inner product value. To address these issues, we propose a novel optimization framework, (DCGD), which adjusts the direction of the updated gradient to ensure it falls within a dual cone region. This region is defined as a set of vectors where the inner products with both the gradients of the PDE residual loss and the boundary loss are non-negative. Theoretically, we analyze the convergence properties of DCGD algorithms in a non-convex setting. On a variety of benchmark equations, we demonstrate that DCGD outperforms other optimization algorithms in terms of various evaluation metrics. In particular, DCGD achieves superior predictive accuracy and enhances the stability of training for failure modes of PINNs and complex PDEs, compared to existing optimally tuned models. Moreover, DCGD can be further improved by combining it with popular strategies for PINNs, including learning rate annealing and the Neural Tangent Kernel (NTK).

In this work, we offer a theoretical analysis of two modern optimization techniques for training large and complex models: (i) adaptive optimization algorithms, such as Adam, and (ii) the model exponential moving average (EMA). Specifically, we demonstrate that a clipped version of Adam with model EMA achieves the optimal convergence rates in various nonconvex optimization settings, both smooth and nonsmooth. Moreover, when the scale varies significantly across different coordinates, we demonstrate that the coordinate-wise adaptivity of Adam is provably advantageous. Notably, unlike previous analyses of Adam, our analysis crucially relies on its core elements---momentum and discounting factors---as well as model EMA, motivating their wide applications in practice.

Existing approaches to differentiable structure learning of directed acyclic graphs (DAGs) rely on strong identifiability assumptions in order to guarantee that global minimizers of the acyclicity-constrained optimization problem identifies the true DAG. Moreover, it has been observed empirically that the optimizer may exploit undesirable artifacts in the loss function. We explain and remedy these issues by studying the behavior of differentiable acyclicity-constrained programs under general likelihoods with multiple global minimizers. By carefully regularizing the likelihood, it is possible to identify the sparsest model in the Markov equivalence class, even in the absence of an identifiable parametrization. We first study the Gaussian case in detail, showing how proper regularization of the likelihood defines a score that identifies the sparsest model. Assuming faithfulness, it also recovers the Markov equivalence class. These results are then generalized to general models and likelihoods, where the same claims hold. These theoretical results are validated empirically, showing how this can be done using standard gradient-based optimizers (without resorting to approximations such as Gumbel-Softmax), thus paving the way for differentiable structure learning under general models and losses.

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards optimizing user-specified objectives. We establish a mathematical framework for guided diffusion to systematically study its optimization theory and algorithmic design. Our theoretical analysis spots a strong link between guided diffusion models and optimization: gradient-guided diffusion models are essentially sampling solutions to a regularized optimization problem, where the regularization is imposed by the pre-training data. As for guidance design, directly bringing in the gradient of an external objective function as guidance would jeopardize the structure in generated samples. We investigate a modified form of gradient guidance based on a forward prediction loss, which leverages the information in pre-trained score functions and provably preserves the latent structure. We further consider an iteratively fine-tuned version of gradient-guided diffusion where guidance and score network are both updated with newly generated samples. This process mimics a first-order optimization iteration in expectation, for which we proved $\tilde{\mathcal{O}}(1/K)$ convergence rate to the global optimum when the objective function is concave.

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative diffusion models as a constrained optimization problem, steering the generated data distribution to remain within a specified region to ensure adherence to the given constraints.These capabilities are validated on applications featuring both convex and challenging, non-convex, constraints as well as ordinary differential equations, in domains spanning from synthesizing new materials with precise morphometric properties, generating physics-informed motion, optimizing paths in planning scenarios, and human motion synthesis.

Data-driven decision-making processes increasingly utilize end-to-end learnable deep neural networks to render final decisions. Sometimes, the output of the forward functions in certain layers is determined by the solutions to mathematical optimization problems, leading to the emergence of differentiable optimization layers that permit gradient back-propagation.However, real-world scenarios often involve large-scale datasets and numerous constraints, presenting significant challenges. Current methods for differentiating optimization problems typically rely on implicit differentiation, which necessitates costly computations on the Jacobian matrices, resulting in low efficiency.In this paper, we introduce BPQP, a differentiable convex optimization framework designed for efficient end-to-end learning. To enhance efficiency, we reformulate the backward pass as a simplified and decoupled quadratic programming problem by leveraging the structural properties of the Karush-Kuhn-Tucker (KKT) matrix. This reformulation enables the use of first-order optimization algorithms in calculating the backward pass gradients, allowing our framework to potentially utilize any state-of-the-art solver. As solver technologies evolve, BPQP can continuously adapt and improve its efficiency.Extensive experiments on both simulated and real-world datasets demonstrate that BPQP achieves a significant improvement in efficiency--typically an order of magnitude faster in overall execution time compared to other differentiable optimization layers. Our results not only highlight the efficiency gains of BPQP but also underscore its superiority over differential optimization layer baselines.

In this paper, we introduce faster accelerated primal-dual algorithms for minimizing a convex function subject to strongly convex function constraints. Prior to our work, the best complexity bound was $\mathcal{O}(1/{\varepsilon})$, regardless of the strong convexity of the constraint function.It is unclear whether the strong convexity assumption can enable even better convergence results. To address this issue, we have developed novel techniques to progressively estimate the strong convexity of the Lagrangian function.Our approach, for the first time, effectively leverages the constraint strong convexity, obtaining an improved complexity of $\mathcal{O}(1/\sqrt{\varepsilon})$. This rate matches the complexity lower bound for strongly-convex-concave saddle point optimization and is therefore order-optimal.We show the superior performance of our methods in sparsity-inducing constrained optimization, notably Google's personalized PageRank problem. Furthermore, we show that a restarted version of the proposed methods can effectively identify the optimal solution's sparsity pattern within a finite number of steps, a result that appears to have independent significance.

However, this convention tends to oversimplify the multi-dimensional and heterogeneous nature of human preferences, leading to reduced expressivity and even misalignment. This paper presents Panacea, an innovative approach that reframes alignment as a multi-dimensional preference optimization problem. Panacea trains a single model capable of adapting online and Pareto-optimally to diverse sets of preferences without the need for further tuning. A major challenge here is using a low-dimensional preference vector to guide the model's behavior, despite it being governed by an overwhelmingly large number of parameters. To address this, Panacea is designed to use singular value decomposition (SVD)-based low-rank adaptation, which allows the preference vector to be simply injected online as singular values. Theoretically, we prove that Panacea recovers the entire Pareto front with common loss aggregation methods under mild conditions. Moreover, our experiments demonstrate, for the first time, the feasibility of aligning a single LLM to represent an exponentially vast spectrum of human preferences through various optimization methods. Our work marks a step forward in effectively and efficiently aligning models to diverse and intricate human preferences in a controllable and Pareto-optimal manner.