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Multi-modal Bayesian Neural Network Surrogates with Conjugate Last-Layer Estimation

arXiv.org Machine Learning

As data collection and simulation capabilities advance, multi-modal learning, the task of learning from multiple modalities and sources of data, is becoming an increasingly important area of research. Surrogate models that learn from data of multiple auxiliary modalities to support the modeling of a highly expensive quantity of interest have the potential to aid outer loop applications such as optimization, inverse problems, or sensitivity analyses when multi-modal data are available. We develop two multi-modal Bayesian neural network surrogate models and leverage conditionally conjugate distributions in the last layer to estimate model parameters using stochastic variational inference (SVI). We provide a method to perform this conjugate SVI estimation in the presence of partially missing observations. We demonstrate improved prediction accuracy and uncertainty quantification compared to uni-modal surrogate models for both scalar and time series data.


GenUQ: Predictive Uncertainty Estimates via Generative Hyper-Networks

arXiv.org Machine Learning

Operator learning is a recently developed generalization of regression to mappings between functions. It promises to drastically reduce expensive numerical integration of PDEs to fast evaluations of mappings between functional states of a system, i.e., surrogate and reduced-order modeling. Operator learning has already found applications in several areas such as modeling sea ice, combustion, and atmospheric physics. Recent approaches towards integrating uncertainty quantification into the operator models have relied on likelihood based methods to infer parameter distributions from noisy data. However, stochastic operators may yield actions from which a likelihood is difficult or impossible to construct. In this paper, we introduce, GenUQ, a measure-theoretic approach to UQ that avoids constructing a likelihood by introducing a generative hyper-network model that produces parameter distributions consistent with observed data. We demonstrate that GenUQ outperforms other UQ methods in three example problems, recovering a manufactured operator, learning the solution operator to a stochastic elliptic PDE, and modeling the failure location of porous steel under tension.


Mobi-$ฯ€$: Mobilizing Your Robot Learning Policy

arXiv.org Artificial Intelligence

Learned visuomotor policies are capable of performing increasingly complex manipulation tasks. However, most of these policies are trained on data collected from limited robot positions and camera viewpoints. This leads to poor generalization to novel robot positions, which limits the use of these policies on mobile platforms, especially for precise tasks like pressing buttons or turning faucets. In this work, we formulate the policy mobilization problem: find a mobile robot base pose in a novel environment that is in distribution with respect to a manipulation policy trained on a limited set of camera viewpoints. Compared to retraining the policy itself to be more robust to unseen robot base pose initializations, policy mobilization decouples navigation from manipulation and thus does not require additional demonstrations. Crucially, this problem formulation complements existing efforts to improve manipulation policy robustness to novel viewpoints and remains compatible with them. We propose a novel approach for policy mobilization that bridges navigation and manipulation by optimizing the robot's base pose to align with an in-distribution base pose for a learned policy. Our approach utilizes 3D Gaussian Splatting for novel view synthesis, a score function to evaluate pose suitability, and sampling-based optimization to identify optimal robot poses. To understand policy mobilization in more depth, we also introduce the Mobi-$ฯ€$ framework, which includes: (1) metrics that quantify the difficulty of mobilizing a given policy, (2) a suite of simulated mobile manipulation tasks based on RoboCasa to evaluate policy mobilization, and (3) visualization tools for analysis. In both our developed simulation task suite and the real world, we show that our approach outperforms baselines, demonstrating its effectiveness for policy mobilization.


ShipwreckFinder: A QGIS Tool for Shipwreck Detection in Multibeam Sonar Data

arXiv.org Artificial Intelligence

Abstract--In this paper, we introduce ShipwreckFinder, an open-source QGIS plugin that detects shipwrecks from multi-beam sonar data. Shipwrecks are an important historical marker of maritime history, and can be discovered through manual inspection of bathymetric data. However, this is a time-consuming process and often requires expert analysis. Our proposed tool allows users to automatically preprocess bathymetry data, perform deep learning inference, threshold model outputs, and produce either pixel-wise segmentation masks or bounding boxes of predicted shipwrecks. The backbone of this open-source tool is a deep learning model, which is trained on a variety of shipwreck data from the Great Lakes and the coasts of Ireland. Additionally, we employ synthetic data generation in order to increase the size and diversity of our dataset. We demonstrate superior segmentation performance with our open-source tool and training pipeline as compared to a deep learning-based ArcGIS toolkit and a more classical inverse sinkhole detection method.


Data-driven approach to the design of complexing agents for trivalent transuranium elements

arXiv.org Artificial Intelligence

The properties of complexes with transuranium elements have long been the object of research in various fields of chemistry. However, their experimental study is complicated by their rarity, high cost and special conditions necessary for working with such elements, and the complexity of quantum chemical calculations does not allow their use for large systems. To overcome these problems, we used modern machine learning methods to create a novel neural network architecture that allows to use available experimental data on a number of elements and thus significantly improve the quality of the resulting models. We also described the applicability domain of the presented model and identified the molecular fragments that most influence the stability of the complexes.