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Atomistic simulations are an important tool in materials modeling. Interatomic potentials (IPs) are at the heart of such molecular models, and the accuracy of a model's predictions depends strongly on the choice of IP. Uncertainty…
Estimating the confidence of large language model (LLM) outputs is essential for real-world applications requiring high user trust. Black-box uncertainty quantification (UQ) methods, relying solely on model API access, have gained…
Large language Models (LLMs) have achieved significant breakthroughs across diverse domains; however, they can still produce unreliable or misleading outputs. For responsible LLM application, Uncertainty Quantification (UQ) techniques are…
Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…
Uncertainty quantification, once a singular task, has evolved into a spectrum of tasks, including abstained prediction, out-of-distribution detection, and aleatoric uncertainty quantification. The latest goal is disentanglement: the…
Optimization equips engineers and scientists in a variety of fields with the ability to transcribe their problems into a generic formulation and receive optimal solutions with relative ease. Industries ranging from aerospace to robotics…
Uncertainty quantification (UQ) provides a resource-efficient solution for on-device monitoring of tinyML models deployed without access to true labels. However, existing UQ methods impose significant memory and compute demands, making them…
Quantifying and managing uncertainties that occur when data-driven models such as those provided by AI and machine learning methods are applied is crucial. This whitepaper provides a brief motivation and first overview of the state of the…
After the tremendous advances of deep learning and other AI methods, more attention is flowing into other properties of modern approaches, such as interpretability, fairness, etc. combined in frameworks like Responsible AI. Two research…
Uncertainty quantification (UQ) includes the characterization, integration, and propagation of uncertainties that result from stochastic variations and a lack of knowledge or data in the natural world. Monte Carlo (MC) method is a…
A wide range of sustainability and grid-integration strategies depend on workload shifting, which aligns the timing of energy consumption with external signals such as grid curtailment events, carbon intensity, or time-of-use electricity…
Due to their intuitive appeal, Bayesian methods of modeling and uncertainty quantification have become popular in modern machine and deep learning. When providing a prior distribution over the parameter space, it is straightforward to…
Machine learning (ML) is often viewed as a powerful data analysis tool that is easy to learn because of its black-box nature. Yet this very nature also makes it difficult to quantify confidence in predictions extracted from ML models, and…
An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification (UQ), or extracting physical insights from large datasets.…
The role of uncertainty quantification (UQ) in deep learning has become crucial with growing use of predictive models in high-risk applications. Though a large class of methods exists for measuring deep uncertainties, in practice, the…
The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather…
This paper surveys uncertainty-aware explainable artificial intelligence (UAXAI), examining how uncertainty is incorporated into explanatory pipelines and how such methods are evaluated. Across the literature, three recurring approaches to…
Quality-Diversity optimisation (QD) has proven to yield promising results across a broad set of applications. However, QD approaches struggle in the presence of uncertainty in the environment, as it impacts their ability to quantify the…
We consider the problem of providing optimal uncertainty quantification (UQ) --- and hence rigorous certification --- for partially-observed functions. We present a UQ framework within which the observations may be small or large in number,…
Quantum computing is a fascinating interdisciplinary research field that promises to revolutionize computing by efficiently solving previously intractable problems. Recent years have seen tremendous progress on both the experimental…