Related papers: Efficient Construction Method for Phase Diagrams U…

Uncertainty estimation is important for interpreting the trustworthiness of machine learning models in many applications. This is especially critical in the data-driven active learning setting where the goal is to achieve a certain accuracy…

One of the central tasks in many-body physics is the determination of phase diagrams. However, mapping out a phase diagram generally requires a great deal of human intuition and understanding. To automate this process, one can frame it as a…

Machine learning techniques have been shown to be effective to recognize different phases of matter and produce phase diagrams in the parameter space interested, while they usually require prior labeled data to perform well. Here, we…

Accurate estimation of the states of a nonlinear dynamical system is crucial for their design, synthesis, and analysis. Particle filters are estimators constructed by simulating trajectories from a sampling distribution and averaging them…

We demonstrate how to map out the phase diagram of a two dimensional quantum many body system with no prior physical knowledge by applying deep \textit{anomaly detection} to ground states from infinite projected entangled pair state…

A mobility map, which provides maximum achievable speed on a given terrain, is essential for path planning of autonomous ground vehicles in off-road settings. While physics-based simulations play a central role in creating next-generation,…

State-of-the-art machine learning models require access to significant amount of annotated data in order to achieve the desired level of performance. While unlabelled data can be largely available and even abundant, annotation process can…

The introduction of the Segment Anything Model (SAM) has paved the way for numerous semantic segmentation applications. For several tasks, quantifying the uncertainty of SAM is of particular interest. However, the ambiguous nature of the…

We consider the problem of deciding on sampling strategy, in particular sampling design. We propose a risk measure, whose minimizing value guides the choice. The method makes use of a superpopulation model and takes into account uncertainty…

Machine-learning force fields enable an accurate and universal description of the potential energy surface of molecules and materials on the basis of a training set of ab initio data. However, large-scale applications of these methods rest…

Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an…

Supervised Learning has been successfully used to produce phase diagrams and identify phase boundaries when local order parameters are unavailable. Here, we apply unsupervised learning to this task. By using readily available clustering…

Active learning is a unique abstraction of machine learning techniques where the model/algorithm could guide users for annotation of a set of data points that would be beneficial to the model, unlike passive machine learning. The primary…

In recent years, machine learning has been adopted to complex networks, but most existing works concern about the structural properties. To use machine learning to detect phase transitions and accurately identify the critical transition…

Medical image segmentation is a fundamental and critical step in many clinical approaches. Semi-supervised learning has been widely applied to medical image segmentation tasks since it alleviates the heavy burden of acquiring…

We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties. The scheme is based on resampling, with multiple models…

In this paper, we propose an uncertainty-aware learning from demonstration method by presenting a novel uncertainty estimation method utilizing a mixture density network appropriate for modeling complex and noisy human behaviors. The…

We introduce a simple but effective method for managing risk in model-based reinforcement learning with trajectory sampling that involves probabilistic safety constraints and balancing of optimism in the face of epistemic uncertainty and…

Sampling-based motion planners (SBMPs) are widely used to compute dynamically feasible robot paths. However, their reliance on uniform sampling often leads to poor efficiency and slow planning in complex environments. We introduce a novel…

Applications of neural networks to condensed matter physics are becoming popular and beginning to be well accepted. Obtaining and representing the ground and excited state wave functions are examples of such applications. Another…