Louis Brusset, Mathurin Petit, Jordan Kam +1cs.LG eess.AS
As air traffic volumes in the National Airspace System continue to expand, in particular in the low altitude airspaces, the need for scalable decision support tools used by air traffic controllers will also require more development. This article introduces Voice-to-Trajectory for Air Traffic Control, a joint voice communication-flight trajectory data embedding framework, that can be a component of situational awareness in congested airspaces, and assist the development of tools for ATC as they reason in real-time over Automatic Dependent Surveillance-Broadcast trajectories, or the intent expressed by pilots in natural language. We show that these data modalities are not independent and represent a common physical referent: an aircraft flying through the airspace. V2TATC maps a voice instruction and the trajectory of the addressed aircraft to nearby points in a single latent space that can be queried in both directions. It combines a self-supervised trajectory encoder, a frozen large-scale speech encoder, a contrastive joint embedding, and a bijective lifting via normalizing flows. We demonstrate V2TATC's effectiveness on the San Francisco Bay Area, for its concentration of major airports, and its mix of commercial and general aviation low altitude traffic. Lastly, we release a novel paired voice-trajectory dataset, and report experiments on cross-modal retrieval, ablations, and latent-space analysis.
We consider the setting of Normalizing flows with approximate inverses, an established paradigm spanning both full-dimensional ($d=D$) and bottleneck ($d<D$) settings, and group these models under the term flow autoencoders. We present a theoretical investigation into their training dynamics and prove that the proposed loss used by existing approaches is suboptimal; specifically, both encoder and decoder surrogates must be optimized in alignment with reconstruction loss. Guided by these insights, we propose Normalizing Autoencoder (NAE), which employs a novel conditional loss that aligns the surrogate loss gradient with that of reconstruction loss, directly improving upon the current standard. Extensive experiments across molecule generation, tabular data, and image benchmarks demonstrate that NAE achieves state of the art performance. Our work highlights the importance of loss alignment in flow autoencoders and establishes NAE as a powerful generative framework.
Kiran Madhusudhanan, Christian Klötergens, Lars Schmidt-Thieme +1cs.LG cs.AI
Probabilistic forecasting plays an essential role in risk-sensitive decision-making, particularly in long-horizon settings. However, existing approaches often face a fundamental trade-off between distributional flexibility and accurate mean prediction. Traditional parametric methods, such as Mean Variance Estimation (MVE), can suffer from degraded point accuracy when trained under joint Negative Log-Likelihood (NLL) objectives, while modern-flexible generative models, including Normalizing Flows and Diffusion Models, typically rely on costly Monte Carlo sampling and may yield suboptimal mean estimates. To address this limitation, we propose Two-stage Odd Residual Flows (TORF), a framework that decouples mean forecasting from uncertainty estimation. In the first stage, a pre-trained deterministic model is used to produce an accurate mean prediction. In the second stage, a Restricted Normalizing Flow, with strictly odd functions learns flexible residual distributions around the point forecast, guaranteeing mean preservation from the first stage without sampling. Experiments show that TORF achieves state-of-the-art deterministic accuracy (NMAE) while providing strong density estimation performance (CRPS) on short and long-horizon forecasting.
Recent offline reinforcement learning methods increasingly rely on expressive generative policies and specialized value-guidance mechanisms. We ask whether comparable progress can instead come from systematically modernizing a conventional behavior-regularized actor-critic while preserving its algorithmic simplicity. We introduce ReBRAC-v2, which directly trains an exact-likelihood normalizing flow as the RL actor, combines likelihood, MSE, and MAE behavior regularization, and integrates a classification-based residual critic, staged optimization, and multi-sample test-time action selection. Rather than tuning this recipe separately for every task, we develop a single shared configuration via roughly 600 Bayesian proposals on six challenging OGBench tasks, freeze all structural and optimization choices, and adapt only two behavior-regularization coefficients over a 16-point grid. Across ten common state-based OGBench categories, ReBRAC-v2 averages 74.8 compared to 52.3 for the next-best aggregate result and ranks first in eight categories. The same recipe, without structural changes, obtains the strongest averages in our comparisons on D4RL AntMaze (90.2) and Adroit (33.6). Fixed-recipe ablations show the largest sensitivity to the selected mixed cloning objective, staged training, sufficient flow capacity, and multi-sample inference, while showing that several smaller choices depend on the values of other hyperparameters. These results show that disciplined, transferable engineering can achieve state-of-the-art aggregate performance without abandoning a minimalist offline RL foundation.
We introduce Joint Flow Matching (JFM), a training framework for continuous normalising flows over multiple variables. Standard flow matching transports variables from noise to data simultaneously, offering no natural mechanism for forward and reverse conditional inference from a shared joint model. JFM resolves this by assigning opposite roles to each variable at the temporal endpoints. We prove that JFM produces a consistent joint distribution where that forward or reverse integration are conditionals of the same joint. We explore this consistency in the context of joint classification and generation as the basis for interpretability in discriminative-generative models. We validate JFM on conditional datasets producing competitive accuracy with inherently well-calibrated confidence scores without post-hoc calibration, and classifier-consistent image generation.
Dorianis M. Perez, Maksim E. Eren, Bryan E. Kaisercs.LG
Malicious anomalous activity detection is a fundamental challenge for cyber security systems. Both tensor decomposition under statistical framework with CANDECOMP-PARAFAC alternating Poisson regression (CP-APR) and normalizing flows have proven to be powerful unsupervised machine learning methods that model multi-dimensional data and capture complex and multi-faceted details of behavior profiles in cyber security applications. In this study, we propose Hybrid Latent-Structural Fusion (HLSF), a weighted anomaly fusion framework integrating CP-APR structural anomaly scores with latent-space density scores derived from normalizing flows. In our experiments, we show that the HLSF framework improves anomaly detection performance on a dataset of real-world compromised user credentials collected from the large enterprise network of Los Alamos National Laboratory (LANL) during a red-teaming exercise, compared with using CP-APR or normalizing flows alone.
The bird's eye view (BEV) has emerged as a pivotal approach for environmental perception in autonomous driving, providing a unified spatial representation for vehicles. Nevertheless, despite BEV's significance in addressing the challenges inherent to autonomous driving, effectively fusing data from multiple camera sensors and operating in complex external driving environments remains a considerable challenge. To mitigate this issue, we recast the BEV segmentation problem within a variational inference framework. In this paper, we propose a novel transformer-based variational flow transformation network for BEV segmentation, denoted as TVB. Our architecture implicitly learns the mapping from multiple camera views to a unified canonical BEV map during training by exploiting posterior BEV supervision. TVB employs a conditional variational auto encoder (CVAE) as its backbone and produces multiple BEV map candidates. To augment the realism of the generated BEV maps, we integrate normalizing flows into the map generation process, enabling the construction of more complex and expressive probability distributions. Furthermore, we design a BEV-attention fusion (BAF) module that harnesses attention mechanisms to adaptively integrate the multiple candidate BEV maps. Experimental results, evaluated on both the nuScenes and OPV2Vdatasets, demonstrate that our proposed method achieves superior performance in multi-camera view BEV segmentation and lane environment perception.
Yurui Zhang, Ruigang Wang, Ian R. Manchestereess.SY cs.LG math.OC
This paper proposes a new notion of robust invertibility for nonlinear dynamical systems, and introduces constructive parameterizations of recurrent neural network which are robustly invertible by design. We define robust invertibility as the existence of a causal inverse system such that both the forward and inverse systems are contracting and have bounded incremental input-output gains (the system is bi-Lipschitz), implying that both forward prediction and input reconstruction are robust to signal perturbations and initial-state mismatch. We construct robustly invertible recurrent models via series composition of static orthogonal layers and dynamic layers satisfying a strong input-output monotonicity property, and provide a differentiable neural network parameterizations in the form of the bi-Lipschitz recurrent equilibrium network (BiLipREN). Additionally, composition with dynamic orthogonal layers yields a nonlinear minimum-phase/all-pass (a.k.a. inner--outer) factorization. We illustrate the utility of the framework through a series of application examples in data-driven internal model control, dynamic surrogate loss learning, and signal-space normalizing flows, illustrating its utility for robust control, trajectory optimization, and generative modeling of complex trajectory distributions.
Tobias Göbel, Julian R. Ebelt, Zier Mensch +2hep-lat cs.LG
Lattice field theory is the workhorse of non-perturbative physics, used to simulate phenomena from the strong nuclear force to critical phenomena in materials. Its Boltzmann distributions are parametrized analytically by coupling constants, but these bare parameters are weak predictors of observables -- extracting physics typically requires extensive simulation. While normalizing flows have emerged as effective samplers at fixed couplings, it remains difficult to interpret what these networks have learned. This raises a natural question: can the physics be read off directly from the flow network parameters themselves, and can those parameters be generated for unseen theories? We propose lattice field theory as a testbed for neural network interpretability: because the target physics is qualitatively well-understood and smoothly varying, it provides ideal synthetic data with known ground truth. To this end, we introduce JEPAWG, a Joint-Embedding Predictive Architecture-based Weight Generator that maps couplings directly to flow weights via a learned latent space. On a scalar theory at lattices of size $6^2$ to $11^2$, the JEPAWG latent space recovers the correct intrinsic dimension of the underlying manifold, locates the phase transition, and encodes a finite-size shift aligned with the 2D Ising exponent $ν\approx 1$, allowing us to uncover physical structure by studying the network weights alone. This suggests the fascinating idea of treating the network weights as a new type of physical observable. As a generator, JEPAWG also interpolates and extrapolates to unseen couplings effectively and remains robust to weight-space discontinuities introduced by multi-seed training data, outperforming PCA, AE, and VAE baselines.
Subhajit Dandapat, Alvin J. K. Chuacs.LG astro-ph.IM gr-qc
Pulsar timing arrays (PTAs) provide a unique window into nanohertz gravitational waves (GWs), but extracting astrophysical parameters from noisy, long-baseline timing residuals remains computationally challenging with traditional Bayesian techniques due to the high dimensionality of the parameter space, complex and correlated noise models, and the cost of repeated likelihood evaluations. We introduce a Transformer with a physics-informed positional-encoding framework for the efficient inference of eccentric binary black holes in relativistic orbits from PTA data. Our approach embeds analytical GW phase evolution directly into the model through structured positional encodings, enabling the network to learn physically meaningful representations from raw PTA timing residuals. We then use generative models, including discrete and continuous conditional normalizing flows, to infer posterior distributions within a simulation-based inference framework. Across a range of signal-to-noise ratios, the proposed method achieves improved accuracy, sharper posteriors, and faster inference compared to physics-agnostic baselines. While presented for deterministic white-noise signals, the modular framework readily generalizes to realistic PTA analyses incorporating red noise and additional components. This work highlights the potential of physics-aware deep learning models as scalable alternatives to conventional inference pipelines for next-generation PTA datasets.
Benjamin Wiriyapong, Oktay Karakus, Can Eyupoglu +1cs.LG stat.ML
Normalising flows provide a powerful variational family for approximate inference, yet individual architectures often fail to generalise across heterogeneous posterior geometries. We revisit mixture-based flow formulations and introduce \emph{AMF\mbox{-}VI\mbox{-}sEMA}, a two-stage framework featuring a \emph{stable global weighting} mechanism based on a \emph{Simplex Exponential Moving Average} (sEMA) update. In Stage~1, a heterogeneous set of experts (\textsc{RealNVP}, \textsc{MAF}, \textsc{RBIG}) are trained independently to specialise in distinct structural regimes. In Stage~2, expert parameters are frozen and global mixture weights are learned through a temperature-controlled softmax of average log-likelihoods, followed by a smooth EMA update on the probability simplex. This design produces a tractable, data-agnostic gating mechanism (without per-sample gating or gradient backpropagation through weights) that adaptively reallocates capacity while avoiding component collapse. We evaluate the framework on ten posterior benchmarks: six canonical 2D synthetic families (Banana, X-Shaped, Bimodal, Multimodal, Two-moons, Rings) and four real/low-dimensional Bayesian targets (BLR, BPR, Weibull, Real-GMM2), with stronger baselines (\textsc{NICE}, \textsc{ResFlow}, and EM-Mixing). Comprehensive evaluation covers NLL, KL divergence, Wasserstein-2 distance, and MMD, together with diagnostics of mixture dynamics, hyperparameter sensitivity, and cross-seed robustness. Empirically, \emph{AMF\mbox{-}VI\mbox{-}sEMA} achieves consistent NLL improvements over its predecessor \emph{AMF\mbox{-}VI} and avoids the catastrophic transport failures of single-flow baselines, while maintaining stable weight trajectories ($N_{\mathrm{eff}}{>}1.4$ on all datasets) with minimal computational overhead.
Residual reinforcement learning adapts a pretrained robot policy by learning an additive correction to its actions. While effective when adaptation amounts to shifting the base policy's action distribution, additive corrections cannot change the distribution's shape, scale, or state-dependent geometry -- limitations we formalize as wrong variance, miscalibrated confidence, and non-uniform correction. We show that these matter under dynamics shift: when the base distribution is geometrically mismatched to the shifted system, residual correction can underperform even the unadapted policy. We propose \textbf{Warp RL}, a policy adaptation method that replaces additive residuals with an invertible, state-conditioned transformation of the base policy's action distribution. Instantiated with monotonic rational-quadratic spline flows [arXiv:0706.1234v1], Warp RL preserves identity initialization, strictly generalizes additive residual correction, and exposes a structured adaptation space suitable for both policy-gradient and gradient-free optimization. Across a variety of ManiSkill3 manipulation tasks with controlled dynamics shifts, Warp RL matches residual correction when translation is sufficient and substantially outperforms it when adaptation requires distributional reshaping. We further demonstrate that warping can replace additive correction in an off-policy sim-to-real pipeline, achieving comparable success rate with 30% faster task completion on a real-robot peg-insertion task.
Danyal Rehman, Charlie B. Tan, Yoshua Bengio +2cs.LG cs.AI
Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generators (BGs), which allow rapid generation of uncorrelated equilibrium samples by combining a generative model with exact likelihoods and an importance sampling correction. However, modern BGs predominantly rely on normalizing flows (NFs), which either suffer from limited expressivity due to strict invertibility constraints (discrete time) or computationally expensive likelihoods (continuous time). In this paper, we propose Autoregressive Boltzmann Generators (ArBG) -- a novel autoregressive modelling framework -- that overcomes these limitations by departing from the flow-based BG paradigm. ArBG circumvents the topological constraints of flows and enables sequential inference-time interventions, while offering enhanced scalability by leveraging architectures effective in Large Language Models. We empirically demonstrate that ArBG leads to significant improvements over flow-based models across all benchmarks, but particularly in larger peptide systems such as the 10-residue Chignolin. Furthermore, we introduce Robin, a 132 million parameter transferable model trained with the ArBG framework which improves over the previous state-of-the-art, reducing the zero-shot energy error, E-W$_2$, on 8-residue systems by over 60$\%$. The code can be found at the following link: https://github.com/danyalrehman/autobg.
Manuel Huth, Jonas Arruda, Nina Schmid +4stat.CO stat.ML
Nonlinear mixed-effects models are widely used to analyze longitudinal data, but existing open-source software often supports only a limited subset of the model structures, inference methods, machine-learning components, automatic differentiation techniques, and random-effects distributions required in modern applications. We introduce NoLimits.jl, an open-source Julia package for flexible and composable nonlinear mixed-effects modeling. Its macro-based modeling language enables observation and latent-state models to be constructed from diverse building blocks, including ordinary differential equations, Markov models, and neural networks. NoLimits.jl supports flexible, covariate-dependent observation and random-effects distributions and provides a unified interface to frequentist inference through Laplace approximation, stochastic expectation maximization, and Bayesian Markov chain Monte Carlo methods. We demonstrate the package on three case studies showcasing its workflows, integration of differentiable machine-learning components, and data-driven estimation of random-effects distributions using normalizing flows. Together, these capabilities substantially expand the range of nonlinear mixed-effects models that can be specified, estimated, and compared within a single open-source framework.
Bayesian inference for inverse problems is run to evaluate integrals -- posterior expectations, tail probabilities, and risks -- across a stream of observations. The standard estimate averages the integrand over posterior samples, a Monte-Carlo average whose error decays only as the square root of the sample size, so accuracy demands many samples -- prohibitive when each one calls a partial-differential-equation forward model. Mean-shift interacting particles need far fewer: they return a small set of signed-weight nodes -- a deterministic quadrature whose weighted averages estimate those integrals. Finding the nodes, however, is a per-observation optimization that, in its most accurate form, reads the posterior score at every step -- returning the cost it meant to save. We introduce amortized mean-shift interacting particles, a learned map that emits the weighted nodes from an observation and a few posterior samples in a single forward pass. Training asks only for joint parameter-observation samples and a posterior to draw from -- a conditional normalizing flow, an empirical conditional, or any reference the user can sample -- and the map learns to integrate that posterior from samples alone, evaluating neither its density nor its score. Once trained, it generalizes to unseen observations and integrands at any node budget and improves on independent samples in two ways: by reweighting them, provably no worse than the equal weights of Monte-Carlo; and by moving them, which empirically lowers it further. Across closed-form, sampled, learned, and physics-based posteriors -- up to a thousand-coefficient groundwater field -- it integrates more accurately than the same number of samples at every budget, and a posterior-whitened, dimension-aware kernel removes the high-dimensional wall. The result is a Pareto improvement on Monte-Carlo integration, not a competitor to drawing more samples.
Anshima Singh, David J. Silvestermath.NA cs.LG stat.ML
Time-dependent high-dimensional partial differential equations (PDEs) with spatially localised and dynamically evolving solutions pose a fundamental challenge for physics-informed neural networks (PINNs), as uniform collocation sampling becomes increasingly ineffective in high-dimensional spatiotemporal domains. In this work, a deep adaptive sampling framework for PINNs is extended to the time-dependent setting by treating space and time as a unified domain without any explicit time marching. A normalising flow neural network model effectively learns the distribution induced by the PDE residual and generates new collocation points concentrated in regions where the solution is most difficult to learn. Unlike conventional adaptive strategies that require explicit time stepping or moving meshes, high-residual regions are automatically identified and tracked across both space and time, driven purely by the PDE residual distribution. The effectiveness of the proposed strategy is assessed on a range of benchmark problems, from sharp and moving features in two spatial dimensions to localised structures in up to eight spatial dimensions.
Luis A. Ortega, Andrés R. Masegosa, Thomas D. Nielsencs.LG stat.ML
Implicit-process priors define distributions over functions through flexible generative mechanisms, making them attractive for Bayesian function-space modelling. However, performing posterior inference with such priors is challenging because their induced function-space distributions are typically not available in closed form. One practical strategy is to approximate the prior using a finite collection of sampled functions, and then represent posterior functions as learned combinations of these samples. Existing approaches commonly place a Gaussian variational distribution over the combination weights. While tractable, this choice limits the shapes of posterior uncertainty that can be represented, especially when the true posterior is asymmetric, heavy-tailed, or multimodal. We propose Flow-Transformed Implicit Processes (FTIP), a variational inference method that makes this finite-dimensional function-space approximation more expressive. Instead of using a Gaussian distribution over the combination weights, FTIP uses a normalizing flow to define a richer variational distribution. This induces a flexible posterior distribution over functions while preserving tractable optimization. We train the model using a Black-Box α objective, allowing us to compare mass-covering and mode-seeking variational behaviour. Experiments show that FTIP captures asymmetric and multimodal posterior structure in function space that Gaussian coefficient approximations tend to smooth or collapse.