Energy
Conformal Prediction with Time-Series Data via Sequential Conformalized Density Regions
We propose a new conformal prediction method for time-series data with a guaranteed asymptotic conditional coverage rate, Sequential Conformalized Density Regions (SCDR), which is flexible enough to produce both prediction intervals and disconnected prediction sets, signifying the emergence of bifurcations. Our approach uses existing estimated conditional highest density predictive regions to form initial predictive regions. We then use a quantile random forest conformal adjustment to provide guaranteed coverage while adaptively changing to take the non-exchangeable nature of time-series data into account. We show that the proposed method achieves the guaranteed coverage rate asymptotically under certain regularity conditions. In particular, the method is doubly robust -- it works if the predictive density model is correctly specified and/or if the scores follow a nonlinear autoregressive model with the correct order specified. Simulations reveal that the proposed method outperforms existing methods in terms of empirical coverage rates and set sizes. We illustrate the method using two real datasets, the Old Faithful geyser dataset and the Australian electricity usage dataset. Prediction sets formed using SCDR for the geyser eruption durations include both single intervals and unions of two intervals, whereas existing methods produce wider, less informative, single-interval prediction sets.
Conditional flow matching for physics-constrained inverse problems with finite training data
Dasgupta, Agnimitra, Fardisi, Ali, Aminy, Mehrnegar, Binder, Brianna, Shaddy, Bryan, Moazami, Saeed, Oberai, Assad
This study presents a conditional flow matching framework for solving physics-constrained Bayesian inverse problems. In this setting, samples from the joint distribution of inferred variables and measurements are assumed available, while explicit evaluation of the prior and likelihood densities is not required. We derive a simple and self-contained formulation of both the unconditional and conditional flow matching algorithms, tailored specifically to inverse problems. In the conditional setting, a neural network is trained to learn the velocity field of a probability flow ordinary differential equation that transports samples from a chosen source distribution directly to the posterior distribution conditioned on observed measurements. This black-box formulation accommodates nonlinear, high-dimensional, and potentially non-differentiable forward models without restrictive assumptions on the noise model. We further analyze the behavior of the learned velocity field in the regime of finite training data. Under mild architectural assumptions, we show that overtraining can induce degenerate behavior in the generated conditional distributions, including variance collapse and a phenomenon termed selective memorization, wherein generated samples concentrate around training data points associated with similar observations. A simplified theoretical analysis explains this behavior, and numerical experiments confirm it in practice. We demonstrate that standard early-stopping criteria based on monitoring test loss effectively mitigate such degeneracy. The proposed method is evaluated on several physics-based inverse problems. We investigate the impact of different choices of source distributions, including Gaussian and data-informed priors. Across these examples, conditional flow matching accurately captures complex, multimodal posterior distributions while maintaining computational efficiency.
Jeffreys Flow: Robust Boltzmann Generators for Rare Event Sampling via Parallel Tempering Distillation
Lin, Guang, Moya, Christian, Qi, Di, Ye, Xuda
Sampling physical systems with rough energy landscapes is hindered by rare events and metastable trapping. While Boltzmann generators already offer a solution, their reliance on the reverse Kullback--Leibler divergence frequently induces catastrophic mode collapse, missing specific modes in multi-modal distributions. Here, we introduce the Jeffreys Flow, a robust generative framework that mitigates this failure by distilling empirical sampling data from Parallel Tempering trajectories using the symmetric Jeffreys divergence. This formulation effectively balances local target-seeking precision with global modes coverage. We show that minimizing Jeffreys divergence suppresses mode collapse and structurally corrects inherent inaccuracies via distillation of the empirical reference data. We demonstrate the framework's scalability and accuracy on highly non-convex multidimensional benchmarks, including the systematic correction of stochastic gradient biases in Replica Exchange Stochastic Gradient Langevin Dynamics and the massive acceleration of exact importance sampling in Path Integral Monte Carlo for quantum thermal states.
Generative Unsupervised Downscaling of Climate Models via Domain Alignment: Application to Wind Fields
Keisler, Julie, Oueslati, Boutheina, Charantonis, Anastase, Goude, Yannig, Monteleoni, Claire
General Circulation Models (GCMs) are widely used for future climate projections, but their coarse spatial resolution and systematic biases limit their direct use for impact studies. This limitation is particularly critical for wind-related applications, such as wind energy, which require spatially coherent, multivariate, and physically plausible near-surface wind fields. Classical statistical downscaling and bias correction methods partly address this issue. Still, they struggle to preserve spatial structure, inter-variable consistency, and robustness under climate change, especially in high-dimensional settings. Recent advances in generative machine learning offer new opportunities for downscaling and bias correction, eliminating the need for explicitly paired low- and high-resolution datasets. However, many existing approaches remain difficult to interpret and challenging to deploy in operational climate impact studies. In this work, we apply SerpentFlow, an interpretable, generative, domain alignment framework, to the multivariate downscaling and bias correction of wind variables from GCM outputs. This is a method that generates low-resolution/high-resolution training data pairs by separating large-scale spatial patterns from small-scale variability. Large-scale components are aligned across climate model and observational domains. Conditional fine-scale variability is then learned using a flow-matching generative model. We apply the approach to multiple wind variables downscaling, including average and maximal wind speed, zonal and meridional components, and compare it with widely used multivariate bias correction methods. Results show improved spatial coherence, inter-variable consistency, and robustness under future climate conditions, highlighting the potential of interpretable generative models for wind and energy applications.
Generative models for decision-making under distributional shift
Cheng, Xiuyuan, Zhu, Yunqin, Xie, Yao
Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially observed, or stress-induced. This tutorial presents modern generative models, particularly flow- and score-based methods, as mathematical tools for constructing decision-relevant distributions. From an operations research perspective, their primary value lies not in unconstrained sample synthesis but in representing and transforming distributions through transport maps, velocity fields, score fields, and guided stochastic dynamics. We present a unified framework based on pushforward maps, continuity, Fokker-Planck equations, Wasserstein geometry, and optimization in probability space. Within this framework, generative models can be used to learn nominal uncertainty, construct stressed or least-favorable distributions for robustness, and produce conditional or posterior distributions under side information and partial observation. We also highlight representative theoretical guarantees, including forward-reverse convergence for iterative flow models, first-order minimax analysis in transport-map space, and error-transfer bounds for posterior sampling with generative priors. The tutorial provides a principled introduction to using generative models for scenario generation, robust decision-making, uncertainty quantification, and related problems under distributional shift.
Structure-Preserving Multi-View Embedding Using Gromov-Wasserstein Optimal Transport
Eufrazio, Rafael Pereira, Montesuma, Eduardo Fernandes, Cavalcante, Charles Casimiro
Multi-view data analysis seeks to integrate multiple representations of the same samples in order to recover a coherent low-dimensional structure. Classical approaches often rely on feature concatenation or explicit alignment assumptions, which become restrictive under heterogeneous geometries or nonlinear distortions. In this work, we propose two geometry-aware multi-view embedding strategies grounded in Gromov-Wasserstein (GW) optimal transport. The first, termed Mean-GWMDS, aggregates view-specific relational information by averaging distance matrices and applying GW-based multidimensional scaling to obtain a representative embedding. The second strategy, referred to as Multi-GWMDS, adopts a selection-based paradigm in which multiple geometry-consistent candidate embeddings are generated via GW-based alignment and a representative embedding is selected. Experiments on synthetic manifolds and real-world datasets show that the proposed methods effectively preserve intrinsic relational structure across views. These results highlight GW-based approaches as a flexible and principled framework for multi-view representation learning.
How worried should you be about an AI apocalypse?
How worried should you be about an AI apocalypse? Fears that artificial intelligence could rise up to wipe out humanity are understandable given our steady diet of sci-fi stories depicting just that, but what is the real risk? Isaac Asimov's three laws of robotics are not a practical guide Super-intelligent artificial intelligence rising up and wiping out humanity has been a common trope in science fiction for decades. Now, we live in a world where real AI seems to be advancing faster than ever. Does that mean you should start worrying about an AI apocalypse?
Closed-form conditional diffusion models for data assimilation
Binder, Brianna, Dasgupta, Agnimitra, Oberai, Assad
We propose closed-form conditional diffusion models for data assimilation. Diffusion models use data to learn the score function (defined as the gradient of the log-probability density of a data distribution), allowing them to generate new samples from the data distribution by reversing a noise injection process. While it is common to train neural networks to approximate the score function, we leverage the analytical tractability of the score function to assimilate the states of a system with measurements. To enable the efficient evaluation of the score function, we use kernel density estimation to model the joint distribution of the states and their corresponding measurements. The proposed approach also inherits the capability of conditional diffusion models of operating in black-box settings, i.e., the proposed data assimilation approach can accommodate systems and measurement processes without their explicit knowledge. The ability to accommodate black-box systems combined with the superior capabilities of diffusion models in approximating complex, non-Gaussian probability distributions means that the proposed approach offers advantages over many widely used filtering methods. We evaluate the proposed method on nonlinear data assimilation problems based on the Lorenz-63 and Lorenz-96 systems of moderate dimensionality and nonlinear measurement models. Results show the proposed approach outperforms the widely used ensemble Kalman and particle filters when small to moderate ensemble sizes are used.
Mixture-Model Preference Learning for Many-Objective Bayesian Optimization
Dubey, Manisha, De Peuter, Sebastiaan, Wang, Wanrong, Kaski, Samuel
Preference-based many-objective optimization faces two obstacles: an expanding space of trade-offs and heterogeneous, context-dependent human value structures. Towards this, we propose a Bayesian framework that learns a small set of latent preference archetypes rather than assuming a single fixed utility function, modelling them as components of a Dirichlet-process mixture with uncertainty over both archetypes and their weights. To query efficiently, we designing hybrid queries that target information about (i) mode identity and (ii) within-mode trade-offs. Under mild assumptions, we provide a simple regret guarantee for the resulting mixture-aware Bayesian optimization procedure. Empirically, our method outperforms standard baselines on synthetic and real-world many-objective benchmarks, and mixture-aware diagnostics reveal structure that regret alone fails to capture.
A Theoretical Framework for Energy-Aware Gradient Pruning in Federated Learning
Federated Learning (FL) is constrained by the communication and energy limitations of decentralized edge devices. While gradient sparsification via Top-K magnitude pruning effectively reduces the communication payload, it remains inherently energy-agnostic. It assumes all parameter updates incur identical downstream transmission and memory-update costs, ignoring hardware realities. We formalize the pruning process as an energy-constrained projection problem that accounts for the hardware-level disparities between memory-intensive and compute-efficient operations during the post-backpropagation phase. We propose Cost-Weighted Magnitude Pruning (CWMP), a selection rule that prioritizes parameter updates based on their magnitude relative to their physical cost. We demonstrate that CWMP is the optimal greedy solution to this constrained projection and provide a probabilistic analysis of its global energy efficiency. Numerical results on a non-IID CIFAR-10 benchmark show that CWMP consistently establishes a superior performance-energy Pareto frontier compared to the Top-K baseline.