Over the course of 2025, we had the pleasure of finding out more about a whole range of AI topics from researchers around the world. Here, we highlight some of our favourite interviews from the past 12 months. We caught up with Erica Kimei to find out about her research studying gas emissions from agriculture, specifically ruminant livestock. Erica combines machine learning and remote sensing technology to monitor and forecast such emissions. We spoke to Yuki Mitsufuji, Lead Research Scientist at Sony AI, to find out more about two pieces of research that his team presented at the Conference on Neural Information Processing Systems (NeurIPS 2024).

US and Ukrainian envoys say productive and constructive talks have taken place in Miami, but there still appears to be no major breakthrough in efforts to end Ukraine's war with Russia. Donald Trump's special envoy, Steve Witkoff, issued a joint statement with the top Ukrainian negotiator, Rustem Umerov, after three days of meetings with European allies. The pair said the meeting focused on aligning positions on a 20-point plan, a multilateral security guarantee framework, a US Security guarantee framework for Ukraine and an economic & prosperity plan. Separate talks have been taking place in Miami between the US and the Russian envoy, Kirill Dmitriev. Our shared priority is to stop the killing, ensure guaranteed security, and create conditions for Ukraine's recovery, stability, and long-term prosperity, Witkoff and Umerov said in a statement.

Operator learning is a data-driven approximation of mappings between infinite-dimensional function spaces, such as the solution operators of partial differential equations. Kernel-based operator learning can offer accurate, theoretically justified approximations that require less training than standard methods. However, they can become computationally prohibitive for large training sets and can be sensitive to noise. We propose a regularized random Fourier feature (RRFF) approach, coupled with a finite element reconstruction map (RRFF-FEM), for learning operators from noisy data. The method uses random features drawn from multivariate Student's $t$ distributions, together with frequency-weighted Tikhonov regularization that suppresses high-frequency noise. We establish high-probability bounds on the extreme singular values of the associated random feature matrix and show that when the number of features $N$ scales like $m \log m$ with the number of training samples $m$, the system is well-conditioned, which yields estimation and generalization guarantees. Detailed numerical experiments on benchmark PDE problems, including advection, Burgers', Darcy flow, Helmholtz, Navier-Stokes, and structural mechanics, demonstrate that RRFF and RRFF-FEM are robust to noise and achieve improved performance with reduced training time compared to the unregularized random feature model, while maintaining competitive accuracy relative to kernel and neural operator tests.

A new paradigm in machine learning for scientific computing is focused on designing learning algorithms and methods for continuum problems. This paradigm is referred to as operator learning and has received considerable interest in the last few years [5,7,18,20,23-25,27,30,34,36]. The basic task may be posed as learning a map between infinite-dimensional function spaces, i.e., learning an operator F: X Y, where, for example, X and Y are real, separable Hilbert spaces. Operator learning naturally arises in many scientific problems where one wants to learn how a continuum model, often described by partial differential equations (PDEs), maps inputs, such as parameters or boundary conditions, to outputs, such as states or observables. A prototypical example to keep in mind is learning parameter-to-solution maps of parametric PDEs [1,2,11]. In contrast to more classical surrogate modeling, which typically focuses on learning finite-dimensional parameter-to-solution maps for some fixed discretization, operator learning directly aims to learn/approximate the continuum map F: X Y itself. Thus, the inputs and outputs are functions (not vectors) and the goal is to directly design discretization-invariant methods [7,23]. From a statistical perspective, this naturally leads to a nonparametric regression problem in which both the object of interest (the operator) and the observations (finite number of noisy samples) are infinite-dimensional.

Parameter-efficient fine-tuning methods, such as Low-Rank Adaptation (LoRA), enable fast specialization of large pre-trained models to different downstream applications. However, this process often leads to catastrophic forgetting of the model's prior domain knowledge. We address this issue with LaLoRA, a weight-space regularization technique that applies a Laplace approximation to Low-Rank Adaptation. Our approach estimates the model's confidence in each parameter and constrains updates in high-curvature directions, preserving prior knowledge while enabling efficient target-domain learning. By applying the Laplace approximation only to the LoRA weights, the method remains lightweight. We evaluate LaLoRA by fine-tuning a Llama model for mathematical reasoning and demonstrate an improved learning-forgetting trade-off, which can be directly controlled via the method's regularization strength. We further explore different loss landscape curvature approximations for estimating parameter confidence, analyze the effect of the data used for the Laplace approximation, and study robustness across hyperparameters.

In real data, missing values occur frequently, which affects the interpretation with interpretable machine learning (IML) methods. Recent work considers bias and shows that model explanations may differ between imputation methods, while ignoring additional imputation uncertainty and its influence on variance and confidence intervals. We therefore compare the effects of different imputation methods on the confidence interval coverage probabilities of the IML methods permutation feature importance, partial dependence plots and Shapley values. We show that single imputation leads to underestimation of variance and that, in most cases, only multiple imputation is close to nominal coverage.

We present a novel theoretical analysis of Federated SARSA (FedSARSA) with linear function approximation and local training. We establish convergence guarantees for FedSARSA in the presence of heterogeneity, both in local transitions and rewards, providing the first sample and communication complexity bounds in this setting. At the core of our analysis is a new, exact multi-step error expansion for single-agent SARSA, which is of independent interest. Our analysis precisely quantifies the impact of heterogeneity, demonstrating the convergence of FedSARSA with multiple local updates. Crucially, we show that FedSARSA achieves linear speed-up with respect to the number of agents, up to higher-order terms due to Markovian sampling. Numerical experiments support our theoretical findings.

Designing molecules that must satisfy multiple, often conflicting objectives is a central challenge in molecular discovery. The enormous size of chemical space and the cost of high-fidelity simulations have driven the development of machine learning-guided strategies for accelerating design with limited data. Among these, Bayesian optimization (BO) offers a principled framework for sample-efficient search, while generative models provide a mechanism to propose novel, diverse candidates beyond fixed libraries. However, existing methods that couple the two often rely on continuous latent spaces, which introduces both architectural entanglement and scalability challenges. This work introduces an alternative, modular "generate-then-optimize" framework for de novo multi-objective molecular design/discovery. At each iteration, a generative model is used to construct a large, diverse pool of candidate molecules, after which a novel acquisition function, qPMHI (multi-point Probability of Maximum Hypervolume Improvement), is used to optimally select a batch of candidates most likely to induce the largest Pareto front expansion. The key insight is that qPMHI decomposes additively, enabling exact, scalable batch selection via only simple ranking of probabilities that can be easily estimated with Monte Carlo sampling. We benchmark the framework against state-of-the-art latent-space and discrete molecular optimization methods, demonstrating significant improvements across synthetic benchmarks and application-driven tasks. Specifically, in a case study related to sustainable energy storage, we show that our approach quickly uncovers novel, diverse, and high-performing organic (quinone-based) cathode materials for aqueous redox flow battery applications.

High-dimensional covariance estimation is notoriously sensitive to outliers. While statistically optimal estimators exist for general heavy-tailed distributions, they often rely on computationally expensive techniques like semidefinite programming or iterative M-estimation ($O(d^3)$). In this work, we target the specific regime of \textbf{Sub-Weibull distributions} (characterized by stretched exponential tails $\exp(-t^α)$). We investigate a computationally efficient alternative: the \textbf{Cross-Fitted Norm-Truncated Estimator}. Unlike element-wise truncation, our approach preserves the spectral geometry while requiring $O(Nd^2)$ operations, which represents the theoretical lower bound for constructing a full covariance matrix. Although spherical truncation is geometrically suboptimal for anisotropic data, we prove that within the Sub-Weibull class, the exponential tail decay compensates for this mismatch. Leveraging weighted Hanson-Wright inequalities, we derive non-asymptotic error bounds showing that our estimator recovers the optimal sub-Gaussian rate $\tilde{O}(\sqrt{r(Σ)/N})$ with high probability. This provides a scalable solution for high-dimensional data that exhibits tails heavier than Gaussian but lighter than polynomial decay.

Algorithms increasingly operate within complex physical, social, and engineering systems where they are exposed to disturbances, noise, and interconnections with other dynamical systems. This article extends known convergence guarantees of an algorithm operating in isolation (i.e., without disturbances) and systematically derives stability bounds and convergence rates in the presence of such disturbances. By leveraging converse Lyapunov theorems, we derive key inequalities that quantify the impact of disturbances. We further demonstrate how our result can be utilized to assess the effects of disturbances on algorithmic performance in a wide variety of applications, including communication constraints in distributed learning, sensitivity in machine learning generalization, and intentional noise injection for privacy.