Industry
StAD: Stein Amortized Divergence for Fast Likelihoods with Diffusion and Flow
Jagwani, Gurjeet, Thorp, Stephen, Deger, Sinan, Peiris, Hiranya
Diffusion and flow-based models are ubiquitously used for generative modelling and density estimation. They admit a deterministic probability flow ordinary differential equation (PF-ODE), analogous to continuous normalizing flows (CNFs), which describes the transport of the probability mass. Obtaining the likelihood from these models is of interest to many workflows, especially Bayesian analysis, and requires solving the trace of the Jacobian to compute the divergence of the learned PF-ODE, which is either $\mathcal{O}(D^2)$ to compute exactly or $\mathcal{O}(D)$ with a noisy estimate. We introduce StAD, a new distillation method to predict and learn the divergence of the PF-ODE using the Langevin-Stein operator without ever computing the Jacobian. We show that our method is competitive with the Hutchinson and Hutch++ on CIFAR-10, ImageNet and other density estimation tasks, consistently improving the variance and speed of the likelihood predictions compared to the Hutchinson. We additionally show our method will generalize to a varied class of generative models, and show that under some regularity conditions these learned vector fields can be made to satisfy the Stein class.
A Cubing Strategy for Identifying Stable Hyperparameter Regions for Uncertainty Quantification in Spatial Deep Learning
Amouzou, Isaac, Lee, Ben Seiyon
Spatially referenced datasets have become increasingly prevalent across many fields, largely driven by advances in data collection methods such as satellite remote sensing. In many applications, predictions at unobserved locations are accompanied by reliable uncertainty estimates. While deep learning methods provide both scalable and accurate models for spatial predictions, there remains no clear consensus for addressing uncertainty quantification in spatial deep learning. Monte Carlo (MC) dropout has become a popular approach for uncertainty quantification, yet existing implementations typically focus on tuning the dropout rate while fixing other influential hyperparameters, such as weight decay and the predictive standard deviation multiplier, often through ad-hoc or manual tuning. We propose a cubing-based diagnostic framework that recursively partitions the hyperparameter space to identify stable regions where MC dropout yields well-calibrated predictive intervals. The approach evaluates hyperparameter regions using scoring rules relative to a statistical baseline model, which serves as a calibration anchor. Through a simulation study spanning multiple spatial dependence regimes as well as a large remotely-sensed land surface temperature dataset, we demonstrate that our approach produces competitive or superior predictive intervals compared to the baseline model. Our methodology provides practitioners with a systematic procedure for incorporating uncertainty quantification into spatial deep learning models.
Isotonic Survival Regression: Calibrated Survival Distributions from Deep Cox Models
Jain, Anchit, Zhang, Kevin, Bates, Stephen
Time-to-event data is widespread across the life sciences and engineering, but it is typically encountered together with censoring, which complicates the application of standard machine learning methods. Deep Cox models have emerged as a popular method for analyzing time-to-event data because they gracefully handle censoring and can be used with unstructured data such as clinical text reports, genomic sequences, and pathology images. However, their predicted survival probabilities are often poorly calibrated, thus limiting their practical utility. In this paper, we propose a novel post hoc calibration method for Deep Cox models that uses isotonic regression to refine predicted survival probabilities without affecting discriminative power. We establish favorable theoretical guarantees, including a double-robustness property and asymptotic calibration. Experiments on synthetic and real-world clinical data demonstrate the empirical effectiveness of our method.
Policy Learning with Observational Data: The Case of Hepatitis C Treatment for HIV/HCV Co-Infected Patients
Decision-makers frequently must choose a single action from a finite set of alternatives -- for example, physicians selecting a treatment, investors choosing a portfolio risk level, or judges determining sentences. To improve outcomes, policymakers often issue policy rules or guidelines to inform such choices. In this paper, I show how to generally derive policy rules from observational data in a multi-action framework under relatively weak assumptions about the underlying structure of the heterogeneous sampled population. Conditional average treatment effects (CATEs) are consistently estimated via a weighted K-means algorithm, assuming the outcome model is correctly specified within each homogeneous subgroup. Feasible policy rules are then implemented via a standard decision tree, allowing for both perfect and imperfect adherence to treatment. The methodology is applied to treatment options for Hepatitis C (HCV) among patients co-infected with human immunodeficiency virus (HIV), a setting in which no uniform guideline exists for modern pharmaceutical therapies. The results identify a subgroup of patients with approximately an 80% probability of spontaneous HCV clearance without treatment. Estimation results also show that reallocating treatments among treated individuals could have reduced total treatment costs by CAN$3.6-4.9 million while still increasing aggregate health benefits relative to the status quo. These findings demonstrate that the proposed approach can generate improved, data-driven treatment guidelines for the management of HIV/HCV co-infected patients.
The Score Kalman Filter
Iwasaki, Kaito, Bloch, Anthony, Lee, Taeyoung, Ghaffari, Maani
A central obstacle in nonlinear Bayesian filtering is representing the belief distribution. Moment-based filters address this by propagating polynomial moments and reconstructing a density from them. Recent work completes the predict-update loop via the maximum-entropy (MaxEnt) principle, but each step requires the partition function and its gradient, both $n$-dimensional integrals whose cost scales exponentially, restricting the demonstrated MaxEnt moment filtering to $n \le 4$. We avoid the partition function entirely by combining score matching with Stein's identity. In our setting, score matching reduces the density fit to a single linear solve whose coefficients are assembled directly from the propagated moments. The same parameters then drive Stein's identity to close the moment hierarchy during prediction and to recover posterior moments after each Bayesian update, keeping the full predict-update loop free of partition function evaluation. The resulting Score Kalman Filter (SKF) reduces to the classical information-form Kalman filter as a special case and performs every step through linear algebra. On nonlinear coupled-oscillator networks, the SKF runs through $n=20$ and reports lower RMSE than the EKF, UKF, EnKF, and particle-filter baselines on the tested synthetic benchmarks.
Your SaaS Is an Insurance Product: A Modeling Framework
Capped-usage SaaS products -- LLM subscriptions such as Claude Code and ChatGPT, cloud platforms such as Vercel and Cloudflare Workers, corporate benefit platforms, identity-verification services with liability transfer -- share a structural signature with insurance products: a fixed premium decoupled from realized consumption, stochastic per-user demand with heavy-tailed severity, a non-fungible cap that resets on a fixed schedule, and a portfolio-level exposure that requires reserve adequacy under tail risk. We argue that this is not an analogy. It is the same operational problem actuarial science has been tooled for decades to address, restated with new dependent variables (tokens, bandwidth bytes, function-invocations, gym check-ins) in place of medical claims. This paper proposes a modeling framework for capped-usage SaaS pricing built from frequency-severity decomposition, premium calculation principles, and Monte Carlo reserve adequacy. We map the framework to publicly observable subscription tiers in two domains (LLM services and cloud platforms), ground it in canonical health-insurance economics (Arrow 1963; Pauly 1968; Manning et al. 1987; Brot-Goldberg et al. 2017), and demonstrate divergence from traditional unit economics through a worked example. The contribution is operational rather than theoretical: not a new theorem, but vocabulary and tools currently absent from cs.LG/stat.ML practice.
Isolating Nonlinear Independent Sources in fMRI with $ฮฒ$-TCVAE Models
Li, Qiang, Yu, Shujian, Malo, Jesus, Liu, Jingyu, Adali, Tรผlay, Calhoun, Vince D.
Learning meaningful latent representations from nonlinear fMRI data remains a fundamental challenge in neuroimaging analysis. Traditional independent component analysis, widely used due to its ability to estimate interpretable functional brain networks, relies on a linear mixing assumption for latent sources, limiting its ability to capture the inherently nonlinear and complex organization of brain dynamics. More recently, deep representation learning methods have emerged as promising alternatives for modeling nonlinear latent structure. However, many of these approaches have been evaluated primarily on simulated datasets or natural image benchmarks, with comparatively limited validation on real-world neuroimaging data such as fMRI. In this work, we are motivated by the $ฮฒ$-TCVAE (Total Correlation Variational Autoencoder), a refinement of the $ฮฒ$-VAE framework for learning latent representations without introducing additional hyperparameters during training. We adapt and modify this model to fMRI data for nonlinear source disentanglement, aiming to separate mixed spatial and temporal brain signals into interpretable components. We show that the $ฮฒ$-TCVAE framework can recover meaningful nonlinear spatial components with biological relevance, including well-established intrinsic connectivity networks such as the default mode network. Furthermore, we evaluate the learned representations using functional network connectivity, showing that the latent structure captures coherent and interpretable brain organization patterns. This study provides a pilot investigation that bridges nonlinear representation learning and fMRI analysis.
HYVINT: Intensity-Driven Hypergraph Generation with Variational Representations
Hong, Xinyi, Xu, Shuntuo, Yu, Zhou
Hypergraphs provide a principled framework for modeling polyadic interactions, with applications in recommendation systems, social networks, and molecular modeling. Hypergraph generation remains challenging because incidence structures are discrete, sparse, and governed by heterogeneous higher-order interactions. Existing generators often rely on implicit latent spaces or continuous incidence decoders, which provide limited mechanistic interpretation of how node-hyperedge incidences arise. To address these limitations, we propose HYVINT, an intensity-driven hypergraph generative framework. Our key innovations are twofold: (i) we develop an intensity-driven incidence formation mechanism for hypergraphs that links latent interaction strength to binary incidence, and (ii) we derive a tractable lower-bound variational estimator for learning latent representations. We provide generation error bounds with asymptotic convergence rates and empirically show that HYVINT achieves strong fidelity while maintaining substantial novelty and diversity on synthetic and real-world hypergraphs.
CAST: Causal Anchored Simplex Transport for Distribution-Valued Time Series
Lu, Jiecheng, Di, Jieqi, Wu, Runhua, Zhou, Yuwei
Many decision-facing stochastic systems are observed through aggregate distributions rather than scalar trajectories: queue occupancies, mobility shares, publichealth mixtures, generation-source shares, ecological compositions, and air-quality severity profiles all live on the probability simplex and evolve over time. We study causal (time-respecting online) forecasting for these distribution-valued time series and argue that the transition operator itself should be structured around the simplex. We introduce CAST (Causal Anchored Simplex Transport), a successor-local operator that (i) retrieves empirical successors from causal context, (ii) stabilizes them with a persistence anchor, and (iii) applies a bounded local stochastic transport on ordered supports; every stage preserves the simplex by construction. We identify a structural failure mode, latent transition-kernel aliasing, where similar observed distributions evolve differently under different contextual regimes, and prove that any forecaster depending only on an aliased summary incurs an irreducible weighted Jensen-Shannon excess-risk lower bound, while the CAST hypothesis class contains the regime-aware Bayes successor; for ordered supports an additional Pinsker separation holds whenever the transported successor lies outside the no-transport anchor hull. On a suite of eleven public and simulated benchmarks spanning ecology, energy, diet, mortality, employment, air quality, severe weather, mobility, and G/G/1, Gt/G/1 queue occupancy, CAST achieves the best average rank on both one-step KL (1.27) and autoregressive rollout JSD (1.91), winning 8/11 sections on each metric against a broad statistical, compositional, recurrent, convolutional, Transformer, and modern time-series baseline set, and top-2 on all 11 sections for offline KL. Component ablations and a controlled synthetic aliasing experiment corroborate the theory. The code release is available at this link.
Diffusion-Based Stochastic Operator Networks for Uncertainty Quantification in Stochastic Partial Differential Equations
Huynh, Phuoc-Toan, Archibald, Richard, Bao, Feng
However, many real-world problems involve intrinsic uncertainties arising from incomplete physical knowledge, imperfect observations, environmental variability, and unresolved multiscale processes. These uncertainties may appear, for example, in initial or boundary conditions, unresolved physical processes, or heterogeneous material properties, and can significantly impact predictive accuracy. To obtain reliable and uncertainty-aware predictions, such effects are often incorporated directly into the mathematical formulation through random inputs, stochastic coefficients, or stochastic perturbations, leading to stochastic partial differential equations (SPDEs). Deriving numerical solutions to SPDEs has thus become a central focus of the uncertainty quantification (UQ) community, where extensive efforts have been devoted to developing efficient solvers that can accurately characterize and propagate uncertainty in high-dimensional, nonlinear dynamical systems (see, e.g., [1, 2, 12, 9, 13, 14, 18, 30, 40, 50, 56] and the references therein). Although traditional methods are effective for solving SPDEs and propagating uncertainty from stochastic input data to model predictions, they often require substantial computational cost, especially for time-dependent and multiscale problems [49, 51]. 1