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Treeffuser: Probabilistic Predictions via Conditional Diffusions with Gradient-Boosted Trees Nicolas Beltran-V elez

Neural Information Processing Systems

Probabilistic prediction aims to compute predictive distributions rather than single point predictions. These distributions enable practitioners to quantify uncertainty, compute risk, and detect outliers. However, most probabilistic methods assume parametric responses, such as Gaussian or Poisson distributions.



AT Proofs

Neural Information Processing Systems

We then follow the proof of Theorem 3 in Farnia and Tse [2016]. Our formulation differs from Nowak-Vila et al. [2020] in the fact that we allow probabilistic prediction to be ground truth. Proposition 4. Let G be a multi-graph. We follow the proof of Friesen [2019] for simple graphs. Proposition 5. Let G be a multi-graph.



Probabilistic function-on-function nonlinear autoregressive model for emulation and reliability analysis of dynamical systems

Song, Zhouzhou, Valdebenito, Marcos A., Schär, Styfen, Marelli, Stefano, Sudret, Bruno, Faes, Matthias G. R.

arXiv.org Machine Learning

Constructing accurate and computationally efficient surrogate models (or emulators) for predicting dynamical system responses is critical in many engineering domains, yet remains challenging due to the strongly nonlinear and high-dimensional mapping from external excitations and system parameters to system responses. This work introduces a novel Function-on-Function Nonlinear AutoRegressive model with eXogenous inputs (F2NARX), which reformulates the conventional NARX model from a function-on-function regression perspective, inspired by the recently proposed $\mathcal{F}$-NARX method. The proposed framework substantially improves predictive efficiency while maintaining high accuracy. By combining principal component analysis with Gaussian process regression, F2NARX further enables probabilistic predictions of dynamical responses via the unscented transform in an autoregressive manner. The effectiveness of the method is demonstrated through case studies of varying complexity. Results show that F2NARX outperforms state-of-the-art NARX model by orders of magnitude in efficiency while achieving higher accuracy in general. Moreover, its probabilistic prediction capabilities facilitate active learning, enabling accurate estimation of first-passage failure probabilities of dynamical systems using only a small number of training time histories.


Treeffuser: probabilistic prediction via conditional diffusions with gradient-boosted trees

Neural Information Processing Systems

Probabilistic prediction aims to compute predictive distributions rather than single point predictions. These distributions enable practitioners to quantify uncertainty, compute risk, and detect outliers. However, most probabilistic methods assume parametric responses, such as Gaussian or Poisson distributions. When these assumptions fail, such models lead to bad predictions and poorly calibrated uncertainty. In this paper, we propose Treeffuser, an easy-to-use method for probabilistic prediction on tabular data.


Many-vs-Many Missile Guidance via Virtual Targets

Schneider, Marc, Fichter, Walter

arXiv.org Artificial Intelligence

This paper presents a novel approach to many-vs-many missile guidance using virtual targets (VTs) generated by a Normalizing Flows-based trajectory predictor. Rather than assigning n interceptors directly to m physical targets through conventional weapon target assignment algorithms, we propose a centralized strategy that constructs n VT trajectories representing probabilistic predictions of maneuvering target behavior. Each interceptor is guided toward its assigned VT using Zero-Effort-Miss guidance during midcourse flight, transitioning to Proportional Navigation guidance for terminal interception. This approach treats many-vs-many engagements as many-vs-distribution scenarios, exploiting numerical superiority (n > m) by distributing interceptors across diverse trajectory hypotheses rather than pursuing identical deterministic predictions. Monte Carlo simulations across various target-interceptor configurations (1-6 targets, 1-8 interceptors) demonstrate that the VT method matches or exceeds baseline straight-line prediction performance by 0-4.1% when n = m, with improvements increasing to 5.8-14.4% when n > m. The results confirm that probabilistic VTs enable effective exploitation of numerical superiority, significantly increasing interception probability in many-vs-many scenarios.


Treeffuser: Probabilistic Predictions via Conditional Diffusions with Gradient-Boosted Trees Nicolas Beltran-V elez

Neural Information Processing Systems

Probabilistic prediction aims to compute predictive distributions rather than single point predictions. These distributions enable practitioners to quantify uncertainty, compute risk, and detect outliers. However, most probabilistic methods assume parametric responses, such as Gaussian or Poisson distributions.


TabResFlow: A Normalizing Spline Flow Model for Probabilistic Univariate Tabular Regression

Madhusudhanan, Kiran, Yalavarthi, Vijaya Krishna, Sonntag, Jonas, Stubbemann, Maximilian, Schmidt-Thieme, Lars

arXiv.org Artificial Intelligence

Tabular regression is a well-studied problem with numerous industrial applications, yet most existing approaches focus on point estimation, often leading to overconfident predictions. This issue is particularly critical in industrial automation, where trustworthy decision-making is essential. Probabilistic regression models address this challenge by modeling prediction uncertainty. However, many conventional methods assume a fixed-shape distribution (typically Gaussian), and resort to estimating distribution parameters. This assumption is often restrictive, as real-world target distributions can be highly complex. To overcome this limitation, we introduce TabResFlow, a Normalizing Spline Flow model designed specifically for univariate tabular regression, where commonly used simple flow networks like RealNVP and Masked Autoregressive Flow (MAF) are unsuitable. TabResFlow consists of three key components: (1) An MLP encoder for each numerical feature. (2) A fully connected ResNet backbone for expressive feature extraction. (3) A conditional spline-based normalizing flow for flexible and tractable density estimation. We evaluate TabResFlow on nine public benchmark datasets, demonstrating that it consistently surpasses existing probabilistic regression models on likelihood scores. Our results demonstrate 9.64% improvement compared to the strongest probabilistic regression model (TreeFlow), and on average 5.6 times speed-up in inference time compared to the strongest deep learning alternative (NodeFlow). Additionally, we validate the practical applicability of TabResFlow in a real-world used car price prediction task under selective regression. To measure performance in this setting, we introduce a novel Area Under Risk Coverage (AURC) metric and show that TabResFlow achieves superior results across this metric.