The remarkable success of diffusion and flow-matching models has ignited a surge of works on adapting them at test time for controlled generation tasks. Examples range from image editing to restoration, compression and personalization. However, due to the iterative nature of the sampling process in those models, it is computationally impractical to use gradient-based optimization to directly control the image generated at the end of the process. As a result, existing methods typically resort to manipulating each timestep separately. Here we introduce FlowOpt - a zero-order (gradient-free) optimization framework that treats the entire flow process as a black box, enabling optimization through the whole sampling path without backpropagation through the model. Our method is both highly efficient and allows users to monitor the intermediate optimization results and perform early stopping if desired. We prove a sufficient condition on FlowOpt's step-size, under which convergence to the global optimum is guaranteed. We further show how to empirically estimate this upper bound so as to choose an appropriate step-size. We demonstrate how FlowOpt can be used for image editing, showcasing two options: (i) inversion (determining the initial noise that generates a given image), and (ii) directly steering the edited image to be similar to the source image while conforming to a target text prompt. In both cases, FlowOpt achieves state-of-the-art results while using roughly the same number of neural function evaluations (NFEs) as existing methods. Code and examples are available on the project's webpage.

Evolutionary algorithms (EAs) have proven effective in exploring the vast solution spaces typical of graph-structured combinatorial problems. However, traditional encoding schemes, such as binary or numerical representations, often fail to straightforwardly capture the intricate structural properties of networks. Through employing the image-based encoding to preserve topological context, this study utilizes multimodal large language models (MLLMs) as evolutionary operators to facilitate structure-aware optimization over graph data. To address the visual clutter inherent in large-scale network visualizations, we leverage graph sparsification techniques to simplify structures while maintaining essential structural features. To further improve robustness and mitigate bias from different sparsification views, we propose a cooperative evolutionary optimization framework that facilitates cross-domain knowledge transfer and unifies multiple sparsified variants of diverse structures. Additionally, recognizing the sensitivity of MLLMs to network layout, we introduce an ensemble strategy that aggregates outputs from various layout configurations through consensus voting. Finally, experiments on real-world networks through various tasks demonstrate that our approach improves both the quality and reliability of solutions in MLLM-driven evolutionary optimization.

Given a graph $G$, its independence sequence is the integral sequence $a_1,a_2,...,a_n$, where $a_i$ is the number of independent sets of vertices of size i. In the late 80's Alavi, Erdos, Malde, Schwenk showed that this sequence need not be unimodal for general graphs, but conjectured that it is always unimodal whenever $G$ is a tree. This conjecture was then naturally generalized to claim that the independence sequence of trees should be log concave, in the sense that $a_i^2$ is always above $a_{i-1}a_{i+1}$. This conjecture stood for many years, until in 2023, Kadrawi, Levit, Yosef, and Mizrachi proved that there were exactly two trees on 26 vertices whose independence sequence was not log concave. In this paper, we use the AI architecture PatternBoost, developed by Charton, Ellenberg, Wagner, and Williamson to train a machine to find counter-examples to the log-concavity conjecture. We will discuss the successes of this approach - finding tens of thousands of new counter-examples to log-concavity with vertex set sizes varying from 27 to 101 - and some of its fascinating failures.

Online ride-hailing platforms aim to deliver efficient mobility-on-demand services, often facing challenges in balancing dynamic and spatially heterogeneous supply and demand. Existing methods typically fall into two categories: reinforcement learning (RL) approaches, which suffer from data inefficiency, oversimplified modeling of real-world dynamics, and difficulty enforcing operational constraints; or decomposed online optimization methods, which rely on manually designed high-level objectives that lack awareness of low-level routing dynamics. To address this issue, we propose a novel hybrid framework that integrates large language model (LLM) with mathematical optimization in a dynamic hierarchical system: (1) it is training-free, removing the need for large-scale interaction data as in RL, and (2) it leverages LLM to bridge cognitive limitations caused by problem decomposition by adaptively generating high-level objectives. Within this framework, LLM serves as a meta-optimizer, producing semantic heuristics that guide a low-level optimizer responsible for constraint enforcement and real-time decision execution. These heuristics are refined through a closed-loop evolutionary process, driven by harmony search, which iteratively adapts the LLM prompts based on feasibility and performance feedback from the optimization layer. Extensive experiments based on scenarios derived from both the New York and Chicago taxi datasets demonstrate the effectiveness of our approach, achieving an average improvement of 16% compared to state-of-the-art baselines.

When some parameters of a constrained optimization problem (COP) are uncertain, this gives rise to a predict-then-optimize (PtO) problem, comprising two stages: the prediction of the unknown parameters from contextual information and the subsequent optimization using those predicted parameters. Decision-focused learning (DFL) implements the first stage by training a machine learning (ML) model to optimize the quality of the decisions made using the predicted parameters. When the predicted parameters occur in the constraints, they can lead to infeasible solutions. Therefore, it is important to simultaneously manage both feasibility and decision quality. We develop a DFL framework for predicting constraint parameters in a generic COP. While prior works typically assume that the underlying optimization problem is a linear program (LP) or integer LP (ILP), our approach makes no such assumption. We derive two novel loss functions based on maximum likelihood estimation (MLE): the first one penalizes infeasibility (by penalizing predicted parameters that lead to infeasible solutions), while the second one penalizes suboptimal decisions (by penalizing predicted parameters that make the true optimal solution infeasible). We introduce a single tunable parameter to form a weighted average of the two losses, allowing decision-makers to balance suboptimality and feasibility. We experimentally demonstrate that adjusting this parameter provides decision-makers control over this trade-off. Moreover, across several COP instances, we show that adjusting the tunable parameter allows a decision-maker to prioritize either suboptimality or feasibility, outperforming the performance of existing baselines in either objective.

Daily tasks require us to use our whole body to manipulate objects, for instance when our hands are unavailable. We consider the issue of providing humanoid robots with the ability to autonomously perform similar whole-body manipulation tasks. In this context, the infinite possibilities for where and how contact can occur on the robot and object surfaces hinder the scalability of existing planning methods, which predominantly rely on discrete sampling. Given the continuous nature of contact surfaces, gradient-based optimization offers a more suitable approach for finding solutions. However, a key remaining challenge is the lack of an efficient representation of robot surfaces. In this work, we propose (i) a representation of robot and object surfaces that enables closed-form computation of proximity points, and (ii) a cost design that effectively guides whole-body manipulation planning. Our experiments demonstrate that the proposed framework can solve problems unaddressed by existing methods, and achieves a 77% improvement in planning time over the state of the art. We also validate the suitability of our approach on real hardware through the whole-body manipulation of boxes by a humanoid robot.

The Schrödinger bridge problem seeks the optimal stochastic process that connects two given probability distributions with minimal energy modification. While the Sinkhorn algorithm is widely used to solve the static optimal transport problem, a recent work (Pooladian and Niles-Weed, 2024) proposed the Sinkhorn bridge, which estimates Schrödinger bridges by plugging optimal transport into the time-dependent drifts of SDEs, with statistical guarantees in the one-sample estimation setting where the true source distribution is fully accessible. In this work, to further justify this method, we study the statistical performance of intermediate Sinkhorn iterations in the two-sample estimation setting, where only finite samples from both source and target distributions are available. Specifically, we establish a statistical bound on the squared total variation error of Sinkhorn bridge iterations: $O(1/m+1/n + r^{4k})~(r \in (0,1))$, where $m$ and $n$ are the sample sizes from the source and target distributions, respectively, and $k$ is the number of Sinkhorn iterations. This result provides a theoretical guarantee for the finite-sample performance of the Schrödinger bridge estimator and offers practical guidance for selecting sample sizes and the number of Sinkhorn iterations. Notably, our theoretical results apply to several representative methods such as [SF]$^2$M, DSBM-IMF, BM2, and LightSB(-M) under specific settings, through the previously unnoticed connection between these estimators.

We consider solving nonlinear optimization problems with a stochastic objective and deterministic equality constraints, assuming that only zero-order information is available for both the objective and constraints, and that the objective is also subject to random sampling noise. Under this setting, we propose a Derivative-Free Stochastic Sequential Quadratic Programming (DF-SSQP) method. Due to the lack of derivative information, we adopt a simultaneous perturbation stochastic approximation (SPSA) technique to randomly estimate the gradients and Hessians of both the objective and constraints. This approach requires only a dimension-independent number of zero-order evaluations -- as few as eight -- at each iteration step. A key distinction between our derivative-free and existing derivative-based SSQP methods lies in the intricate random bias introduced into the gradient and Hessian estimates of the objective and constraints, brought by stochastic zero-order approximations. To address this issue, we introduce an online debiasing technique based on momentum-style estimators that properly aggregate past gradient and Hessian estimates to reduce stochastic noise, while avoiding excessive memory costs via a moving averaging scheme. Under standard assumptions, we establish the global almost-sure convergence of the proposed DF-SSQP method. Notably, we further complement the global analysis with local convergence guarantees by demonstrating that the rescaled iterates exhibit asymptotic normality, with a limiting covariance matrix resembling the minimax optimal covariance achieved by derivative-based methods, albeit larger due to the absence of derivative information. Our local analysis enables online statistical inference of model parameters leveraging DF-SSQP. Numerical experiments on benchmark nonlinear problems demonstrate both the global and local behavior of DF-SSQP.

Student Growth Percentiles (SGPs), widely adopted across U.S. state assessment systems, employ independent quantile regression followed by post-hoc correction using an isotonic projection method (\texttt{isotonize=TRUE} in the \texttt{SGP} R package) to address quantile crossing. We demonstrate this approach contains a fundamental methodological inconsistency: interpolation between independently-estimated, potentially crossed quantiles requires monotonicity, yet the post-hoc correction alters estimates in ways that may violate the quantile property $P(Y \leq \hat{Q}_τ(Y|X) \mid X) = τ$. We term this the \emph{interpolation paradox}. While theoretically sound constrained joint quantile regression (CJQR) eliminates crossing by enforcing non-crossing constraints during optimization, we analyze its computational complexity (often scaling poorly, e.g., $\mathcal{O}((qn)^3)$ for standard LP solvers) rendering it intractable for large-scale educational data ($n > 100{,}000$). We examine the SGP package's switch to the Frisch-Newton interior point method (\texttt{rq.method.for.large.n="fn"}) for large $N$, noting that while efficient for \emph{independent} QR, it doesn't resolve the joint problem's complexity or the paradox. We propose neural network-based multi-quantile regression (NNQR) with shared hidden layers as a practical alternative. Leveraging the convexity of the composite pinball loss, SGD-based optimization used in NN training can reliably approach the global optimum, offering scalability ($O(n)$) and implicitly reducing crossing. Our empirical analysis shows independent QR yields crossing, while both CJQR and NNQR enforce monotonicity. NNQR emerges as a viable, scalable alternative for operational SGP systems, aligning theoretical validity with computational feasibility.

Sparse variable selection improves interpretability and generalization in high-dimensional learning by selecting a small subset of informative features. Recent advances in Mixed Integer Programming (MIP) have enabled solving large-scale non-private sparse regression - known as Best Subset Selection (BSS) - with millions of variables in minutes. However, extending these algorithmic advances to the setting of Differential Privacy (DP) has remained largely unexplored. In this paper, we introduce two new pure differentially private estimators for sparse variable selection, levering modern MIP techniques. Our framework is general and applies broadly to problems like sparse regression or classification, and we provide theoretical support recovery guarantees in the case of BSS. Inspired by the exponential mechanism, we develop structured sampling procedures that efficiently explore the non-convex objective landscape, avoiding the exhaustive combinatorial search in the exponential mechanism. We complement our theoretical findings with extensive numerical experiments, using both least squares and hinge loss for our objective function, and demonstrate that our methods achieve state-of-the-art empirical support recovery, outperforming competing algorithms in settings with up to $p=10^4$.