Zero-shot optimization involves optimizing a target task that was not seen during training, aiming to provide the optimal solution without or with minimal adjustments to the optimizer. It is crucial to ensure reliable and robust performance in various applications. Current optimizers often struggle with zero-shot optimization and require intricate hyperparameter tuning to adapt to new tasks. To address this, we propose a Pretrained Optimization Model (POM) that leverages knowledge gained from optimizing diverse tasks, offering efficient solutions to zero-shot optimization through direct application or fine-tuning with few-shot samples. Evaluation on the BBOB benchmark and two robot control tasks demonstrates that POM outperforms state-of-the-art black-box optimization methods, especially for high-dimensional tasks.

Hierarchical clustering has usually been addressed by discrete optimization using heuristics or continuous optimization of relaxed scores for hierarchies. In this work, we propose to optimize expected scores under a probabilistic model over hierarchies.

Reconstructing a continuous surface from a raw 3D point cloud is a challenging task. Latest methods employ supervised learning or pretrained priors to learn a signed distance function (SDF). However, neural networks tend to smooth local details due to the lack of ground truth signed distnaces or normals, which limits the performance of learning-based methods in reconstruction tasks. To resolve this issue, we propose a novel method, named MultiPull, to learn multi-scale implicit fields from raw point clouds to optimize accurate SDFs from coarse to fine. We achieve this by mapping 3D query points into a set of frequency features, which makes it possible to leverage multi-level features during optimization. Meanwhile, we introduce optimization constraints from the perspective of spatial distance and normal consistency, which play a key role in point cloud reconstruction based on multi-scale optimization strategies. Our experiments on widely used object and scene benchmarks demonstrate that our method outperforms the state-of-the-art methods in surface reconstruction.

Reinforcement Learning (RL) problem with general utility is a powerful decision making framework that covers standard RL with cumulative cost, exploration problems, and demonstration learning. Existing works on RL with general utility do not consider the robustness under environmental perturbation, which is important to adapt RL system in the real-world environment that differs from the training environment. To train a robust policy, we propose a robust RL framework with general utility, which subsumes many existing RL frameworks including RL, robust RL, RL with general utility, constrained RL, robust constrained RL, pure exploration, robust entropy regularized RL, etc. Then we focus on popular convex utility functions, with which our proposed learning framework is a challenging nonconvex-nonconcave minimax optimization problem, and design a two-phase stochastic policy gradient type algorithm and obtain its sample complexity result for gradient convergence. Furthermore, for convex utility on a widely used polyhedral ambiguity set, we design an algorithm and obtain its convergence rate to a global optimal solution.

Finetuning foundation models for specific tasks is an emerging paradigm in modern machine learning. The efficacy of task-specific finetuning largely depends on the selection of appropriate training data. We present TSDS (Task-Specific Data Selection), a framework to select data for task-specific model finetuning, guided by a small but representative set of examples from the target task. To do so, we formulate data selection for task-specific finetuning as an optimization problem with a distribution alignment loss based on optimal transport to capture the discrepancy between the selected data and the target distribution. In addition, we add a regularizer to encourage the diversity of the selected data and incorporate kernel density estimation into the regularizer to reduce the negative effects of near-duplicates among the candidate data.We connect our optimization problem to nearest neighbor search and design efficient algorithms to compute the optimal solution based on approximate nearest neighbor search techniques.We evaluate our method on data selection for both continued pretraining and instruction tuning of language models.We show that instruction tuning using data selected by our method with a 1\% selection ratio often outperforms using the full dataset and beats the baseline selection methods by 1.5 points in F1 score on average.

The Adam optimization algorithm has proven remarkably effective for optimization problems across machine learning and even traditional tasks in geometry processing. At the same time, the development of equivariant methods, which preserve their output under the action of rotation or some other transformation, has proven to be important for geometry problems across these domains. In this work, we observe that Adam -- when treated as a function that maps initial conditions to optimized results -- is not rotation equivariant for vector-valued parameters due to per-coordinate moment updates. This leads to significant artifacts and biases in practice. We propose to resolve this deficiency with VectorAdam, a simple modification which makes Adam rotation-equivariant by accounting for the vector structure of optimization variables. We demonstrate this approach on problems in machine learning and traditional geometric optimization, showing that equivariant VectorAdam resolves the artifacts and biases of traditional Adam when applied to vector-valued data, with equivalent or even improved rates of convergence.

Diffusion regulates numerous natural processes and the dynamics of many successful generative models. Existing models to learn the diffusion terms from observational data rely on complex bilevel optimization problems and model only the drift of the system.We propose a new simple model, JKOnet*, which bypasses the complexity of existing architectures while presenting significantly enhanced representational capabilities: JKOnet* recovers the potential, interaction, and internal energy components of the underlying diffusion process. JKOnet* minimizes a simple quadratic loss and outperforms other baselines in terms of sample efficiency, computational complexity, and accuracy. Additionally, JKOnet* provides a closed-form optimal solution for linearly parametrized functionals, and, when applied to predict the evolution of cellular processes from real-world data, it achieves state-of-the-art accuracy at a fraction of the computational cost of all existing methods.Our methodology is based on the interpretation of diffusion processes as energy-minimizing trajectories in the probability space via the so-called JKO scheme, which we study via its first-order optimality conditions.

In this work, we present a new deterministic partition-based global optimization algorithm, HALO (Hybrid Adaptive Lipschitzian Optimization), which uses estimates of the local Lipschitz constants associated with different sub-regions of the objective function's domain to compute lower bounds and guide the search toward global minimizers. These estimates are obtained by adaptively balancing the global and local information collected from the algorithm, based on absolute slopes. HALO is hyperparameter-free, eliminating the need for manual tuning, and it highlights the most important variables to help interpret the optimization problem. We also introduce a coupling strategy with local optimization algorithms, both gradient-based and derivative-free, to accelerate convergence. We compare HALO with popular global optimization algorithms on hundreds of test functions. The numerical results are very promising and demonstrate that HALO can expand our arsenal of efficient procedures of efficient procedures for challenging real-world black-box optimization problems. The Python code of HALO is publicly available on GitHub. https://github.com/dannyzx/HALO

The global Lipschitz smoothness condition underlies most convergence and complexity analyses via two key consequences: the descent lemma and the gradient Lipschitz continuity. How to study the performance of optimization algorithms in the absence of Lipschitz smoothness remains an active area. The relative smoothness framework from Bauschke-Bolte-Teboulle (2017) and Lu-Freund-Nesterov (2018) provides an extended descent lemma, ensuring convergence of Bregman-based proximal gradient methods and their vanilla stochastic counterparts. However, many widely used techniques (e.g., momentum schemes, random reshuffling, and variance reduction) additionally require the Lipschitz-type bound for gradient deviations, leaving their analysis under relative smoothness an open area. To resolve this issue, we introduce the dual kernel conditioning (DKC) regularity condition to regulate the local relative curvature of the kernel functions. Combined with the relative smoothness, DKC provides a dual Lipschitz continuity for gradients: even though the gradient mapping is not Lipschitz in the primal space, it preserves Lipschitz continuity in the dual space induced by a mirror map. We verify that DKC is widely satisfied by popular kernels and is closed under affine composition and conic combination. With these novel tools, we establish the first complexity bounds as well as the iterate convergence of random reshuffling mirror descent for constrained nonconvex relative smooth problems.

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO