Counterfactual Explanations (CFEs) interpret machine learning models by identifying the smallest change to input features needed to change the model's prediction to a desired output. For classification tasks, CFEs determine how close a given sample is to the decision boundary of a trained classifier. Existing methods are often sample-inefficient, requiring numerous evaluations of a black-box model -- an approach that is both costly and impractical when access to the model is limited. We propose Adaptive sampling for Counterfactual Explanations (ACE), a sample-efficient algorithm combining Bayesian estimation and stochastic optimization to approximate the decision boundary with fewer queries. By prioritizing informative points, ACE minimizes evaluations while generating accurate and feasible CFEs. Extensive empirical results show that ACE achieves superior evaluation efficiency compared to state-of-the-art methods, while maintaining effectiveness in identifying minimal and actionable changes.

Flow models parameterized as time-dependent velocity fields can generate data from noise by integrating an ODE. These models are often trained using flow matching, i.e. by sampling random pairs of noise and target points $(\mathbf{x}_0,\mathbf{x}_1)$ and ensuring that the velocity field is aligned, on average, with $\mathbf{x}_1-\mathbf{x}_0$ when evaluated along a segment linking $\mathbf{x}_0$ to $\mathbf{x}_1$. While these pairs are sampled independently by default, they can also be selected more carefully by matching batches of $n$ noise to $n$ target points using an optimal transport (OT) solver. Although promising in theory, the OT flow matching (OT-FM) approach is not widely used in practice. Zhang et al. (2025) pointed out recently that OT-FM truly starts paying off when the batch size $n$ grows significantly, which only a multi-GPU implementation of the Sinkhorn algorithm can handle. Unfortunately, the costs of running Sinkhorn can quickly balloon, requiring $O(n^2/\varepsilon^2)$ operations for every $n$ pairs used to fit the velocity field, where $\varepsilon$ is a regularization parameter that should be typically small to yield better results. To fulfill the theoretical promises of OT-FM, we propose to move away from batch-OT and rely instead on a semidiscrete formulation that leverages the fact that the target dataset distribution is usually of finite size $N$. The SD-OT problem is solved by estimating a dual potential vector using SGD; using that vector, freshly sampled noise vectors at train time can then be matched with data points at the cost of a maximum inner product search (MIPS). Semidiscrete FM (SD-FM) removes the quadratic dependency on $n/\varepsilon$ that bottlenecks OT-FM. SD-FM beats both FM and OT-FM on all training metrics and inference budget constraints, across multiple datasets, on unconditional/conditional generation, or when using mean-flow models.

We develop new classifiers under group fairness in the attribute-aware setting for binary classification with multiple group fairness constraints (e.g., demographic parity (DP), equalized odds (EO), and predictive parity (PP)). We propose a novel approach, applicable to linear fractional constraints, based on directly intervening on the operating characteristics of a pre-trained base classifier, by (i) identifying optimal operating characteristics using the base classifier's group-wise ROC convex hulls and (ii) post-processing the base classifier to match those targets. As practical post-processors, we consider randomizing a mixture of group-wise thresholding rules subject to minimizing the expected number of interventions. We further extend our approach to handle multiple protected attributes and multiple linear fractional constraints. On standard datasets (COMPAS and ACSIncome), our methods simultaneously satisfy approximate DP, EO, and PP with few interventions and a near-oracle drop in accuracy; comparing favorably to previous methods.

When different objectives conflict with each other in multi-task learning, gradients begin to interfere and slow convergence, thereby potentially reducing the final model's performance. To address this, we introduce SON-GOKU, a scheduler that computes gradient interference, constructs an interference graph, and then applies greedy graph-coloring to partition tasks into groups that align well with each other. At each training step, only one group (color class) of tasks are activated, and the grouping partition is constantly recomputed as task relationships evolve throughout training. By ensuring that each mini-batch contains only tasks that pull the model in the same direction, our method improves the effectiveness of any underlying multi-task learning optimizer without additional tuning. Since tasks within these groups will update in compatible directions, multi-task learning will improve model performance rather than impede it. Empirical results on six different datasets show that this interference-aware graph-coloring approach consistently outperforms baselines and state-of-the-art multi-task optimizers. We provide extensive theory showing why grouping and sequential updates improve multi-task learning, with guarantees on descent, convergence, and accurately identifying what tasks conflict or align.

It provides a CUDA C++ interface to enable the sharing of code between a real-time application, such as a SLAM system, and its optimization tasks. The framework supports techniques to reduce memory usage, including in-place optimization, support for multiple floating point types and mixed-precision modes, and dynamically computed Jacobians. We evaluate Graphite on well-known bundle adjustment problems and find that it achieves similar performance to MegBA, a solver specialized for bundle adjustment, while maintaining generality and using less memory. We also apply Graphite to global visual-inertial bundle adjustment on maps generated from stereo-inertial SLAM datasets, and observe speed ups of up to 59 compared to a CPU baseline. Our results indicate that our solver enables faster large-scale optimization on both desktop and resource-constrained devices.

We present a unified framework for solving trajectory optimization problems in a derivative-free manner through the use of sequential convex programming. Traditionally, nonconvex optimization problems are solved by forming and solving a sequence of convex optimization problems, where the cost and constraint functions are approximated locally through Taylor series expansions. This presents a challenge for functions where differentiation is expensive or unavailable. In this work, we present a derivative-free approach to form these convex approximations by computing samples of the dynamics, cost, and constraint functions and letting the solver interpolate between them. Our framework includes sample-based trajectory optimization techniques like model-predictive path integral (MPPI) control as a special case and generalizes them to enable features like multiple shooting and general equality and inequality constraints that are traditionally associated with derivative-based sequential convex programming methods. The resulting framework is simple, flexible, and capable of solving a wide variety of practical motion planning and control problems.

Radio-based methods such as Ultra-Wideband (UWB) and RAdio Detection And Ranging (radar), which have traditionally seen limited adoption in robotics, are experiencing a boost in popularity thanks to their robustness to harsh environmental conditions and cluttered environments. This work proposes a multi-robot UGV-UAV localization system that leverages the two technologies with inexpensive and readily-available sensors, such as Inertial Measurement Units (IMUs) and wheel encoders, to estimate the relative position of an aerial robot with respect to a ground robot. The first stage of the system pipeline includes a nonlinear optimization framework to trilaterate the location of the aerial platform based on UWB range data, and a radar pre-processing module with loosely coupled ego-motion estimation which has been adapted for a multi-robot scenario. Then, the pre-processed radar data as well as the relative transformation are fed to a pose-graph optimization framework with odometry and inter-robot constraints. The system, implemented for the Robotic Operating System (ROS 2) with the Ceres optimizer, has been validated in Software-in-the-Loop (SITL) simulations and in a real-world dataset. The proposed relative localization module outperforms state-of-the-art closed-form methods which are less robust to noise. Our SITL environment includes a custom Gazebo plugin for generating realistic UWB measurements modeled after real data. Conveniently, the proposed factor graph formulation makes the system readily extensible to full Simultaneous Localization And Mapping (SLAM). Finally, all the code and experimental data is publicly available to support reproducibility and to serve as a common open dataset for benchmarking.

We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules. The model learns to transform a uniform source over all possible tokens into the data distribution. Unlike masked models, its training loss accounts for predictions on all sequence positions at every denoising step, shifting the generation paradigm from completion to refinement, and decoupling the number of sampling steps from the sequence length. For \textit{de novo} generation, InVirtuoGen achieves a stronger quality-diversity pareto frontier than prior fragment-based models and competitive performance on fragment-constrained tasks. For property and lead optimization, we propose a hybrid scheme that combines a genetic algorithm with a Proximal Property Optimization fine-tuning strategy adapted to discrete flows. Our approach sets a new state-of-the-art on the Practical Molecular Optimization benchmark, measured by top-10 AUC across tasks, and yields higher docking scores in lead optimization than previous baselines. InVirtuoGen thus establishes a versatile generative foundation for drug discovery, from early hit finding to multi-objective lead optimization. We further contribute to open science by releasing pretrained checkpoints and code, making our results fully reproducible\footnote{https://github.com/invirtuolabs/InVirtuoGen_results}.

Recently, a new optimization method based on the linear minimization oracle (LMO), called Muon, has been attracting increasing attention since it can train neural networks faster than existing adaptive optimization methods, such as Adam. In this paper, we study how Muon can be utilized in federated learning. We first show that straightforwardly using Muon as the local optimizer of FedAvg does not converge to the stationary point since the LMO is a biased operator. We then propose FedMuon which can mitigate this issue. We also analyze how solving the LMO approximately affects the convergence rate and find that, surprisingly, FedMuon can converge for any number of Newton-Schulz iterations, while it can converge faster as we solve the LMO more accurately. Through experiments, we demonstrated that FedMuon can outperform the state-of-the-art federated learning methods.