The reverse engineering of a complex mixture, regardless of its nature, has become significant today. Being able to quickly assess the potential toxicity of new commercial products in relation to the environment presents a genuine analytical challenge. The development of digital tools (databases, chemometrics, machine learning, etc.) and analytical techniques (Raman spectroscopy, NIR spectroscopy, mass spectrometry, etc.) will allow for the identification of potential toxic molecules. In this article, we use the example of detergent products, whose composition can prove dangerous to humans or the environment, necessitating precise identification and quantification for quality control and regulation purposes. The combination of various digital tools (spectral database, mixture database, experimental design, Chemometrics / Machine Learning algorithm{\ldots}) together with different sample preparation methods (raw sample, or several concentrated / diluted samples) Raman spectroscopy, has enabled the identification of the mixture's constituents and an estimation of its composition. Implementing such strategies across different analytical tools can result in time savings for pollutant identification and contamination assessment in various matrices. This strategy is also applicable in the industrial sector for product or raw material control, as well as for quality control purposes.
We present ParrotTTS, a modularized text-to-speech synthesis model leveraging disentangled self-supervised speech representations. It can train a multi-speaker variant effectively using transcripts from a single speaker. ParrotTTS adapts to a new language in low resource setup and generalizes to languages not seen while training the self-supervised backbone. Moreover, without training on bilingual or parallel examples, ParrotTTS can transfer voices across languages while preserving the speaker specific characteristics, e.g., synthesizing fluent Hindi speech using a French speaker's voice and accent. We present extensive results in monolingual and multi-lingual scenarios. ParrotTTS outperforms state-of-the-art multi-lingual TTS models using only a fraction of paired data as latter.
Trajectory prediction in traffic scenes involves accurately forecasting the behaviour of surrounding vehicles. To achieve this objective it is crucial to consider contextual information, including the driving path of vehicles, road topology, lane dividers, and traffic rules. Although studies demonstrated the potential of leveraging heterogeneous context for improving trajectory prediction, state-of-the-art deep learning approaches still rely on a limited subset of this information. This is mainly due to the limited availability of comprehensive representations. This paper presents an approach that utilizes knowledge graphs to model the diverse entities and their semantic connections within traffic scenes. Further, we present nuScenes Knowledge Graph (nSKG), a knowledge graph for the nuScenes dataset, that models explicitly all scene participants and road elements, as well as their semantic and spatial relationships. To facilitate the usage of the nSKG via graph neural networks for trajectory prediction, we provide the data in a format, ready-to-use by the PyG library. All artefacts can be found here: //github.com/boschresearch/nuScenes_Knowledge_Graph
Dynamical systems across the sciences, from electrical circuits to ecological networks, undergo qualitative and often catastrophic changes in behavior, called bifurcations, when their underlying parameters cross a threshold. Existing methods predict oncoming catastrophes in individual systems but are primarily time-series-based and struggle both to categorize qualitative dynamical regimes across diverse systems and to generalize to real data. To address this challenge, we propose a data-driven, physically-informed deep-learning framework for classifying dynamical regimes and characterizing bifurcation boundaries based on the extraction of topologically invariant features. We focus on the paradigmatic case of the supercritical Hopf bifurcation, which is used to model periodic dynamics across a wide range of applications. Our convolutional attention method is trained with data augmentations that encourage the learning of topological invariants which can be used to detect bifurcation boundaries in unseen systems and to design models of biological systems like oscillatory gene regulatory networks. We further demonstrate our method's use in analyzing real data by recovering distinct proliferation and differentiation dynamics along pancreatic endocrinogenesis trajectory in gene expression space based on single-cell data. Our method provides valuable insights into the qualitative, long-term behavior of a wide range of dynamical systems, and can detect bifurcations or catastrophic transitions in large-scale physical and biological systems.
Compressed Sensing (CS) encompasses a broad array of theoretical and applied techniques for recovering signals, given partial knowledge of their coefficients. Its applications span various fields, including mathematics, physics, engineering, and several medical sciences. Motivated by our interest in the mathematics behind Magnetic Resonance Imaging (MRI) and CS, we employ convex analysis techniques to analytically determine equivalents of Lagrange multipliers for optimization problems with inequality constraints, specifically a weighted LASSO with voxel-wise weighting. We investigate this problem under assumptions on the fidelity term $\Vert{Ax-b}\Vert_2^2$, either concerning the sign of its gradient or orthogonality-like conditions of its matrix. To be more precise, we either require the sign of each coordinate of $2(Ax-b)^TA$ to be fixed within a rectangular neighborhood of the origin, with the side lengths of the rectangle dependent on the constraints, or we assume $A^TA$ to be diagonal. The objective of this work is to explore the relationship between Lagrange multipliers and the constraints of a weighted variant of LASSO, specifically in the mentioned cases where this relationship can be computed explicitly. As they scale the regularization terms of the weighted LASSO, Lagrange multipliers serve as tuning parameters for the weighted LASSO, prompting the question of their potential effective use as tuning parameters in applications like MR image reconstruction and denoising. This work represents an initial step in this direction.
Robots cannot yet match humans' ability to rapidly learn the shapes of novel 3D objects and recognize them robustly despite clutter and occlusion. We present Bayes3D, an uncertainty-aware perception system for structured 3D scenes, that reports accurate posterior uncertainty over 3D object shape, pose, and scene composition in the presence of clutter and occlusion. Bayes3D delivers these capabilities via a novel hierarchical Bayesian model for 3D scenes and a GPU-accelerated coarse-to-fine sequential Monte Carlo algorithm. Quantitative experiments show that Bayes3D can learn 3D models of novel objects from just a handful of views, recognizing them more robustly and with orders of magnitude less training data than neural baselines, and tracking 3D objects faster than real time on a single GPU. We also demonstrate that Bayes3D learns complex 3D object models and accurately infers 3D scene composition when used on a Panda robot in a tabletop scenario.
While question answering over knowledge bases (KBQA) has shown progress in addressing factoid questions, KBQA with numerical reasoning remains relatively unexplored. In this paper, we focus on the complex numerical reasoning in KBQA and propose a new task, NR-KBQA, which necessitates the ability to perform both multi-hop reasoning and numerical reasoning. We design a logic form in Python format called PyQL to represent the reasoning process of numerical reasoning questions. To facilitate the development of NR-KBQA, we present a large dataset called MarkQA, which is automatically constructed from a small set of seeds. Each question in MarkQA is equipped with its corresponding SPARQL query, alongside the step-by-step reasoning process in the QDMR format and PyQL program. Experimental results of some state-of-the-art QA methods on the MarkQA show that complex numerical reasoning in KBQA faces great challenges.
Modeling excess remains to be an important topic in insurance data modeling. Among the alternatives of modeling excess, the Peaks Over Threshold (POT) framework with Generalized Pareto distribution (GPD) is regarded as an efficient approach due to its flexibility. However, the selection of an appropriate threshold for such framework is a major difficulty. To address such difficulty, we applied several accumulation tests along with Anderson-Darling test to determine an optimal threshold. Based on the selected thresholds, the fitted GPD with the estimated quantiles can be found. We applied the procedure to the well-known Norwegian Fire Insurance data and constructed the confidence intervals for the Value-at-Risks (VaR). The accumulation test approach provides satisfactory performance in modeling the high quantiles of Norwegian Fire Insurance data compared to the previous graphical methods.
Maps are fundamental medium to visualize and represent the real word in a simple and 16 philosophical way. The emergence of the 3rd wave information has made a proportion of maps are available to be generated ubiquitously, which would significantly enrich the dimensions and perspectives to understand the characteristics of the real world. However, a majority of map dataset have never been discovered, acquired and effectively used, and the map data used in many applications might not be completely fitted for the authentic demands of these applications. This challenge is emerged due to the lack of numerous well-labelled benchmark datasets for implementing the deep learning approaches into identifying complicated map content. Thus, we develop a large-scale benchmark dataset that includes well-labelled dataset for map text annotation recognition, map scene classification, map super-resolution reconstruction, and map style transferring. Furthermore, these well-labelled datasets would facilitate the state-of-the-art machine intelligence technologies to conduct map feature detection, map pattern recognition and map content retrieval. We hope our efforts would be useful for AI-enhanced cartographical applications.
Inverse problems, which are related to Maxwell's equations, in the presence of nonlinear materials is a quite new topic in the literature. The lack of contributions in this area can be ascribed to the significant challenges that such problems pose. Retrieving the spatial behaviour of some unknown physical property, from boundary measurements, is a nonlinear and highly ill-posed problem even in the presence of linear materials. Furthermore, this complexity grows exponentially in the presence of nonlinear materials. In the tomography of linear materials, the Monotonicity Principle (MP) is the foundation of a class of non-iterative algorithms able to guarantee excellent performances and compatibility with real-time applications. Recently, the MP has been extended to nonlinear materials under very general assumptions. Starting from the theoretical background for this extension, we develop a first real-time inversion method for the inverse obstacle problem in the presence of nonlinear materials. The proposed method is intendend for all problems governed by the quasilinear Laplace equation, i.e. static problems involving nonlinear materials. In this paper, we provide some preliminary results which give the foundation of our method and some extended numerical examples.
Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.