Lion optimizer is a popular learning-based optimization algorithm in machine learning, which shows impressive performance in training many deep learning models. Although convergence property of the Lion optimizer has been studied, its generalization analysis is still missing. To fill this gap, we study generalization property of the Lion via algorithmic stability based on the mathematical induction. Specifically, we prove that the Lion has a generalization error of $O(\frac{1}{Nτ^T})$, where $N$ is training sample size, and $τ>0$ denotes the smallest absolute value of non-zero element in gradient estimator, and $T$ is the total iteration number. In addition, we obtain an interesting byproduct that the SignSGD algorithm has the same generalization error as the Lion. To enhance generalization of the Lion, we design a novel efficient Cautious Lion (i.e., CLion) optimizer by cautiously using sign function. Moreover, we prove that our CLion has a lower generalization error of $O(\frac{1}{N})$ than $O(\frac{1}{Nτ^T})$ of the Lion, since the parameter $τ$ generally is very small. Meanwhile, we study convergence property of our CLion optimizer, and prove that our CLion has a fast convergence rate of $O(\frac{\sqrt{d}}{T^{1/4}})$ under $\ell_1$-norm of gradient for nonconvex stochastic optimization, where $d$ denotes the model dimension. Extensive numerical experiments demonstrate effectiveness of our CLion optimizer.

Antibody lead optimization is inherently a multi-objective challenge in drug discovery. Achieving a balance between different drug-like properties is crucial for the development of viable candidates, and this search becomes exponentially challenging as desired properties grow. The ever-growing zoo of sophisticated in silico tools for predicting antibody properties calls for an efficient joint optimization procedure to overcome resource-intensive sequential filtering pipelines. We present BOAT, a versatile Bayesian optimization framework for multi-property antibody engineering. Our `plug-and-play' framework couples uncertainty-aware surrogate modeling with a genetic algorithm to jointly optimize various predicted antibody traits while enabling efficient exploration of sequence space. Through systematic benchmarking against genetic algorithms and newer generative learning approaches, we demonstrate competitive performance with state-of-the-art methods for multi-objective protein optimization. We identify clear regimes where surrogate-driven optimization outperforms expensive generative approaches and establish practical limits imposed by sequence dimensionality and oracle costs.

We introduce Multistage Conditional Compositional Optimization (MCCO) as a new paradigm for decision-making under uncertainty that combines aspects of multistage stochastic programming and conditional stochastic optimization. MCCO minimizes a nest of conditional expectations and nonlinear cost functions. It has numerous applications and arises, for example, in optimal stopping, linear-quadratic regulator problems, distributionally robust contextual bandits, as well as in problems involving dynamic risk measures. The naïve nested sampling approach for MCCO suffers from the curse of dimensionality familiar from scenario tree-based multistage stochastic programming, that is, its scenario complexity grows exponentially with the number of nests. We develop new multilevel Monte Carlo techniques for MCCO whose scenario complexity grows only polynomially with the desired accuracy.

The robust low-rank tensor completion problem addresses the challenge of recovering corrupted high-dimensional tensor data with missing entries, outliers, and sparse noise commonly found in real-world applications. Existing methodologies have encountered fundamental limitations due to their reliance on uniform regularization schemes, particularly the tensor nuclear norm and $\ell_1$ norm regularization approaches, which indiscriminately apply equal shrinkage to all singular values and sparse components, thereby compromising the preservation of critical tensor structures. The proposed tensor weighted correlated total variation (TWCTV) regularizer addresses these shortcomings through an $M$-product framework that combines a weighted Schatten-$p$ norm on gradient tensors for low-rankness with smoothness enforcement and weighted sparse components for noise suppression. The proposed weighting scheme adaptively reduces the thresholding level to preserve both dominant singular values and sparse components, thus improving the reconstruction of critical structural elements and nuanced details in the recovered signal. Through a systematic algorithmic approach, we introduce an enhanced alternating direction method of multipliers (ADMM) that offers both computational efficiency and theoretical substantiation, with convergence properties comprehensively analyzed within the $M$-product framework.Comprehensive numerical evaluations across image completion, denoising, and background subtraction tasks validate the superior performance of this approach relative to established benchmark methods.

In optimization problems, some variable subsets may have a joint non-linear or non-monotonical influence on the function value. Therefore, knowledge of variable dependencies may be crucial for effective optimization, and many state-of-the-art optimizers leverage it to improve performance. However, some real-world problem instances may be the subject of noise of various origins. In such a case, variable dependencies relevant to optimization may be hard or impossible to tell using dependency checks sufficient for problems without noise, making highly effective operators, e.g., Partition Crossover (PX), useless. Therefore, we use Statistical Linkage Learning (SLL) to decompose problems with noise and propose a new SLL-dedicated mask construction algorithm. We prove that if the quality of the SLL-based decomposition is sufficiently high, the proposed clustering algorithm yields masks equivalent to PX masks for the noise-free instances. The experiments show that the optimizer using the proposed mechanisms remains equally effective despite the noise level and outperforms state-of-the-art optimizers for the problems with high noise.

Multi-objective bandits have attracted increasing attention because of their broad applicability and mathematical elegance, where the reward of each arm is a multi-dimensional vector rather than a scalar. This naturally introduces Pareto order relations and Pareto regret. A long-standing question in this area is whether performance is fundamentally harder to optimize because of this added complexity. A recent surprising result shows that, in the adversarial setting, Pareto regret is no larger than classical regret; however, in the stochastic setting, where the regret notion is different, the picture remains unclear. In fact, existing work suggests that Pareto regret in the stochastic case increases with the dimensionality. This controversial yet subtle phenomenon motivates our central question: \emph{are multi-objective bandits actually harder than single-objective ones?} We answer this question in full by showing that, in the stochastic setting, Pareto regret is in fact governed by the maximum sub-optimality gap \(g^\dagger\), and hence by the minimum marginal regret of order \(Ω(\frac{K\log T}{g^\dagger})\). We further develop a new algorithm that achieves Pareto regret of order \(O(\frac{K\log T}{g^\dagger})\), and is therefore optimal. The algorithm leverages a nested two-layer uncertainty quantification over both arms and objectives through upper and lower confidence bound estimators. It combines a top-two racing strategy for arm selection with an uncertainty-greedy rule for dimension selection. Together, these components balance exploration and exploitation across the two layers. We also conduct comprehensive numerical experiments to validate the proposed algorithm, showing the desired regret guarantee and significant gains over benchmark methods.

Reliability-based design optimization (RBDO) is traditionally formulated as a nested optimization and reliability problem. Although surrogate models are generally employed to improve efficiency, the approach remains computationally prohibitive in high-dimensional settings. This paper proposes a novel RBDO framework based on a stochastic simulator viewpoint, in which the deterministic limit-state function and the uncertainty in the model inputs are combined into a unified stochastic representation. Under this formulation, the system response conditioned on a given design is modeled directly through its output distribution, rather than through an explicit limit-state function. Stochastic emulators are constructed in the design space to approximate the conditional response distribution, enabling the semi-analytical evaluation of failure probabilities or associated quantiles without resorting to Monte Carlo simulation. Two classes of stochastic emulators are investigated, namely generalized lambda models and stochastic polynomial chaos expansions. Both approaches provide a deterministic mapping between design variables and reliability constraints, which breaks the classical double-loop structure of RBDO and allows the use of standard deterministic optimization algorithms. The performance of the proposed approach is evaluated on a set of benchmark problems with dimensionality ranging from low to very high, including a case with stochastic excitation. The results are compared against a Kriging-based approach formulated in the full input space. The proposed method yields substantial computational gains, particularly in high-dimensional settings. While its efficiency is comparable to Kriging for low-dimensional problems, it significantly outperforms Kriging as the dimensionality increases.

Expectation Propagation (EP) is a widely used iterative message-passing algorithm that decomposes a global inference problem into multiple local ones. It approximates marginal distributions as ``beliefs'' using intermediate functions called ``messages''. It has been shown that the stationary points of EP are the same as corresponding constrained Bethe Free Energy (BFE) optimization problem. Therefore, EP is an iterative method of optimizing the constrained BFE. However, the iterative method may fall out of the feasible set of the BFE optimization problem, i.e., the beliefs are not integrable. In most literature, the authors use various methods to keep all the messages integrable. In most Bayesian estimation problems, limiting the messages to be integrable shrinks the actual feasible set. Furthermore, in extreme cases where the factors are not integrable, making the message itself integrable is not enough to have integrable beliefs. In this paper, two EP frameworks are proposed to ensure that EP has integrable beliefs. Both of the methods allows non-integrable messages. We then investigate the signal recovery problem in Generalized Linear Model (GLM) using our proposed methods.

Optimization over the space of probability measures endowed with the Wasserstein-2 geometry is central to modern machine learning and mean-field modeling. However, traditional methods relying on full Wasserstein gradients often suffer from high computational overhead in high-dimensional or ill-conditioned settings. We propose a randomized coordinate descent framework specifically designed for the Wasserstein manifold, introducing both Random Wasserstein Coordinate Descent (RWCD) and Random Wasserstein Coordinate Proximal{-Gradient} (RWCP) for composite objectives. By exploiting coordinate-wise structures, our methods adapt to anisotropic objective landscapes where full-gradient approaches typically struggle. We provide a rigorous convergence analysis across various landscape geometries, establishing guarantees under non-convex, Polyak-Łojasiewicz, and geodesically convex conditions. Our theoretical results mirror the classic convergence properties found in Euclidean space, revealing a compelling symmetry between coordinate descent on vectors and on probability measures. The developed techniques are inherently adaptive to the Wasserstein geometry and offer a robust analytical template that can be extended to other optimization solvers within the space of measures. Numerical experiments on ill-conditioned energies demonstrate that our framework offers significant speedups over conventional full-gradient methods.

The scenario approach provides a powerful data-driven framework for designing solutions under uncertainty with rigorous probabilistic robustness guarantees. Existing theory, however, primarily addresses assessing robustness with respect to a single appropriateness criterion for the solution based on a dataset, whereas many practical applications - including multi-agent decision problems - require the simultaneous consideration of multiple criteria and the assessment of their robustness based on multiple datasets, one per criterion. This paper develops a general scenario theory for multi-criteria data-driven decision making. A central innovation lies in the collective treatment of the risks associated with violations of individual criteria, which yields substantially more accurate robustness certificates than those derived from a naive application of standard results. In turn, this approach enables a sharper quantification of the robustness level with which all criteria are simultaneously satisfied. The proposed framework applies broadly to multi-criteria data-driven decision problems, providing a principled, scalable, and theoretically grounded methodology for design under uncertainty.