Conformal prediction constructs prediction sets with finite-sample coverage guarantees, but its calibration stage is structurally constrained to a scalar score function and a single threshold variable -- forcing shapes of prediction sets to be fixed before calibration, typically through data splitting. We introduce multi-variable conformal prediction (MCP), a framework that extends conformal prediction to vector-valued score functions with multiple simultaneous calibration variables. Building on scenario theory as a principled framework for certifying data-driven decisions, MCP unifies prediction set design and calibration into a single optimization problem, eliminating data splitting without sacrificing coverage guarantees. We propose two computationally efficient variants: RemMCP, grounded in constrained optimization with constraint removal, which admits a clean generalization of split conformal prediction; and RelMCP, based on iterative optimization with constraint relaxation, which supports non-convex score functions at the cost of possibly greater conservatism. Through numerical experiments on ellipsoidal and multi-modal prediction sets, we demonstrate that RemMCP and RelMCP consistently meet the target coverage with prediction set sizes smaller than or comparable to those of baselines with data split, while considerably reducing variance across calibration runs -- a direct consequence of using all available data for shape optimization and calibration simultaneously.

The Gromov-Wasserstein (GW) problem provides a framework for aligning heterogeneous datasets by matching their intrinsic geometry, but its statistical and computational scaling remains an issue for high-dimensional problems. Slicing techniques offer an appealing route to scalability, but, unlike Wasserstein distances, GW problems do not generally admit closed-form solutions in one-dimension. We resolve this problem for the GW problem with inner product cost (IGW), propose a sliced IGW distance that enjoys a natural rotational invariance property, and comprehensively study its structural and computational properties. Numerical experiments validating our theory are presented, followed by applications to heterogeneous clustering of text data and language model representation comparison.

We design Local LMO - a new projection-free gradient-type method for constrained optimization. The key algorithmic idea is to replace the global linear minimization oracle over the constraint set used by Frank-Wolfe (FW) with a local linear minimization oracle over the intersection of the constraint set and a "small" ball centered at the current iterate. In particular, when minimizing $f:\mathbb{R}^d\to \mathbb{R}$ over a constraint $\emptyset\neq\mathcal{X}\subseteq\mathbb{R}^d$, Local LMO performs the iteration \[x_{k+1}\in \arg\min_{z\in\mathcal{X}\cap\mathcal{B}(x_{k},t_k)}\langle\nabla f(x_{k}), z \rangle,\] where $x_0\in\mathcal{X}$, and $t_k>0$ is a suitably chosen radius which can be interpreted as an effective stepsize. While designed as an alternative to FW, Local LMO is perhaps best viewed as a generalization of Gradient Descent (GD) rather than a modification of FW. Indeed, it is easy to see that Local LMO reduces to GD in the unconstrained setting and, more generally, to GD restricted to an affine subspace if the constraint $\mathcal{X}$ is affine. We prove that this simple algorithmic scheme transfers the known (unaccelerated) convergence rates of Projected Gradient Descent (PGD) to the projection-free world in several important regimes, some of which are beyond the reach of FW. In contrast to FW theory, i) our guarantees hold without requiring the feasible set $\mathcal{X}$ to be bounded, ii) our theory does not require the "curvature" assumption, which allows us to establish a standard sublinear rate for convex functions with bounded gradients, iii) we obtain a linear rate in the smooth strongly convex regime. Furthermore, we obtain sharp sublinear rates in the smooth convex and non-convex regimes, in the $(L_0,L_1)$-smooth convex regime, and in stochastic and non-differentiable settings.

Large-scale machine learning models are trained on clusters of machines that exhibit heterogeneous performance due to hardware variability, network delays, and system-level instabilities. In such environments, time complexity rather than iteration complexity becomes the relevant performance metric for optimization algorithms. Recent work by Tyurin and Richtárik [2023] established the first time complexity analysis for parallel first-order stochastic optimization, proposing Rennala SGD as a time-optimal method for smooth nonconvex optimization. However, Rennala SGD is fundamentally a modification of SGD, and variance reduction techniques are known to improve the iteration complexity of SGD. In this work, we investigate whether variance reduction can also improve time complexity in heterogeneous systems. We show that, under a mean-squared smoothness assumption, variance reduction can improve time complexity in relevant parameter regimes. To this end, we propose Rennala MVR, a variance-reduced extension of Rennala SGD based on momentum-based variance reduction, and analyze its oracle and time complexity. We establish lower bounds for time complexity under these assumptions.

Causal sensitivity analysis aims to provide bounds for causal effect estimates in the presence of unobserved confounding. However, existing methods for causal sensitivity analysis are per-instance procedures, meaning that changes to the dataset, causal query, sensitivity level, or treatment require new computation. Here, we instead present an in-context learning approach. Specifically, we propose an amortized approach to causal sensitivity analysis based on prior-data fitted networks. A key challenge is that the sensitivity bounds are not directly available when sampling training data. To address this, we develop a general prior-data construction that is applicable across the class of generalized treatment sensitivity models. Our construction involves a Lagrangian scalarization of the objective to generate training labels for the bounds through a tradeoff between causal effect min/max-imization and sensitivity model violation, which avoids model-specific analytical derivations. We further show that, under standard convexity and linearity conditions, our objective recovers the full Pareto frontier of solutions. Empirically, we demonstrate our amortized approach across various datasets, causal queries, and sensitivity levels, where our approach achieves a test-time computation that is orders of magnitude faster than per-instance methods. To the best of our knowledge, ours is the first foundation model for in-context learning for causal sensitivity analysis.

In this work, we show that natural policy gradient, a core algorithm in reinforcement learning, admits an exact formulation as a smoothed and averaged form of policy iteration. Specifically, we introduce doubly smoothed policy iteration (DSPI), a Bellman-operator framework in which each policy is obtained by applying a regularized greedy step to a weighted average of past $Q$-functions. DSPI includes policy iteration, dual-averaged policy iteration, natural policy gradient, and more general policy dual averaging methods as special cases. Using only monotonicity and contraction of smoothed Bellman operators, we prove distribution-free global geometric convergence of DSPI. Consequently, standard natural policy gradient and policy dual averaging achieve an iteration complexity of $\mathcal{O}((1-γ)^{-1}\log((1-γ)^{-1}ε^{-1}))$ for computing an $ε$-optimal policy, without modifying the MDP, adding regularization beyond the mirror map inherent in the update, or using adaptive, trajectory-dependent stepsizes. For the unregularized greedy case, corresponding to dual-averaged policy iteration, we also prove finite termination. The same Bellman-operator framework further extends to discounted MDPs with linear function approximation and stochastic shortest path problems.

We study zeroth-order optimisation under context distributional uncertainty, a setting commonly tackled using Bayesian optimisation (BO). A prevailing strategy to make BO more robust to the complex and noisy nature of data is to employ an ensemble as the surrogate model, thereby mitigating the weaknesses of any single model. In this study, we propose a novel algorithm for Ensemble Distributionally Robust Bayesian Optimisation that remains computationally tractable while managing continuous context. We obtain theoretical sublinear regret bounds, improving current state-of-the-art results. We show that our method's empirical behaviour aligns with its theoretical guarantees.

When applying Bayesian optimization (BO) to scientific workflow, a major yet often overlooked source of uncertainty is the task itself -- namely, what to optimize and how to evaluate it -- which can evolve as evidence accumulates. We introduce Generate-Select-Refine (GSR), a open-ended BO framework that alternates between task generation and task optimization. Starting from a user-provided seed task, GSR generates new tasks in a coarse-to-fine manner while a task-acquisition function schedules optimization. Asymptotically, it concentrates evaluations on the best task, incurring only logarithmic regret overhead relative to single-task BO. We apply GSR to new product development, chemical synthesis scaling, algorithm analysis, and patent repurposing, where it outperforms existing LLM-based optimizers.

We study a class of bilevel optimization problems in which both the upper- and lower-level problems have minimax structures. This setting captures a broad range of emerging applications. Despite the extensive literature on bilevel optimization and minimax optimization separately, existing methods mainly focus on bilevel optimization with lower-level minimization problems, often under strong convexity assumptions, and are not directly applicable to the minimax lower-level setting considered here. To address this gap, we develop penalty-based first-order methods for bilevel minimax optimization without requiring strong convexity of the lower-level problem. In the deterministic setting, we establish that the proposed method finds an $ε$-KKT point with $\tilde{O}(ε^{-4})$ oracle complexity. We further show that bilevel problems with convex constrained lower-level minimization can be reformulated as special cases of our framework via Lagrangian duality, leading to an $\tilde{O}(ε^{-4})$ complexity bound that improves upon the existing $\tilde{O}(ε^{-7})$ result. Finally, we extend our approach to the stochastic setting, where only stochastic gradient oracles are available, and prove that the proposed stochastic method finds a nearly $ε$-KKT point with $\tilde{O}(ε^{-9})$ oracle complexity.

Causal inference is essential for data-driven decision-making, as it aims to uncover causal relationships from observational data. However, identifying causality remains challenging due to the potential for confounding and the distinction between correlation and causation. While recent advances in causal machine learning and matching algorithms have improved estimation accuracy, these methods often face trade-offs between interpretability and computational efficiency. This paper proposes a novel approach that combines a tree-based discretization technique, tailored for causal inference, with an integer linear programming-based matching algorithm. The discretization ensures approximately linear relationships for control datasets within strata, enabling effective matching, while the optimization framework optimizes for global balance. The resulting algorithm yields computational efficiency and less biased ATT estimates compared to state-of-the-art algorithms. Empirical evaluations demonstrate the proposed method's practical advantages over existing techniques in causal inference scenarios.