This work uses neural density estimation to analyze laser-induced breakdown spectroscopy data, enabling accurate predictions and uncertainty quantification.
problem Inference of probability densities in high-dimensional spectral data is often intractable.
method Normalizing flows on structured spectral latent spaces for density estimation and uncertainty quantification.
result The approach enables generation of realistic spectral samples and accurate prediction of state vectors with well-calibrated uncertainties.
Manifold methods improve amino acid classification in LIBS spectra.
problem Improving classification accuracy of amino acids in LIBS spectra.
method Developed an information theoretic method for measuring LIBS energy spectra, implemented manifold methods for nonlinear dimensionality reduction.
result Nonlinear methods lead to increased classification accuracy in amino acid classification.
Many mobile robots rely on 2D laser scanners for localization, mapping, and navigation. However, those sensors are unable to correctly provide distance to obstacles such as glass panels and tables whose actual occupancy is invisible at the height the sensor is measuring. In this work, instead of estimating the distance…
Study pentagon growth with laser-cut models.
problem Explore topological and geometric properties of pentagon cell growth.
method Cell growth process in Euclidean plane, physical representations created with laser cutter.
result Aesthetic and geometric insights from pentagon growth models.
Residential homes constitute roughly one-fourth of the total energy usage worldwide. Providing appliance-level energy breakdown has been shown to induce positive behavioral changes that can reduce energy consumption by 15%. Existing approaches for energy breakdown either require hardware installation in every target ho…
Nuclear magnetic resonance (NMR) spectroscopy exploits the magnetic properties of atomic nuclei to discover the structure, reaction state and chemical environment of molecules. We propose a probabilistic generative model and inference procedures for NMR spectroscopy. Specifically, we use a weighted sum of trigonometric…
Optimizes search times by resetting agents when a threshold is reached.
problem Improving search efficiency in systems with thresholds.
method Develops a framework for correlated stochastic processes with threshold resetting.
result Optimal resetting can prevent larger losses and is applicable to various stochastic systems.
ML PCA detects phase transitions in muon spectroscopy data.
problem Detecting phase transitions in materials using muon spectroscopy data.
method Unsupervised Machine Learning (PCA) applied to asymmetry functions.
result PCA method effectively detects phase transitions in muon spectroscopy experiments.
New research extends optimal transport map breakdown properties to general costs.
problem Understanding robustness of optimal transport maps under contamination.
method Analyzing breakdown point of optimal transport maps for general convex costs.
result Breakdown point of optimal transport maps is independent of the cost function.
AI enhances cancer diagnostics using spectroscopy.
problem Early and accurate cancer diagnosis.
method Combining AI with spectroscopy-based techniques.
result AI improves cancer diagnostics speed and safety.
New method speeds up NIR spectroscopy calibration by 400x.
problem Efficient preprocessing selection in NIR spectroscopy.
method Operator-adaptive PLS and Ridge regression.
result Significant reduction in fitting time with comparable prediction quality.
In microsurgery, lasers have emerged as precise tools for bone ablation. A challenge is automatic control of laser bone ablation with 4D optical coherence tomography (OCT). OCT as high resolution imaging modality provides volumetric images of tissue and foresees information of bone position and orientation (pose) as we…
Improved spectroscopy classification with deep learning and synthetic data.
problem Identifying chlorinated solvents in Raman spectra.
method Locally-connected neural network (NN) for binary classification, autoencoder-based outlier detection, and synthetic training data.
result The proposed method outperforms existing algorithms in accuracy and robustness.
Tukey median performance analyzed under TV corruptions.
problem Performance analysis of Tukey median under TV corruptions.
method Analysis of Tukey median and projection algorithm under TV corruptions.
result Breakdown point reduced to 1/4 under TV corruptions, compared to 1/3 under Huber's model.
Develops a Bayesian non-parametric approach for signal separation with varying components.
problem Signal separation with varying components across different input locations.
method Augments Gaussian Process Latent Variable Models with weighted sums of pure component signals and incorporates priors for linear weights.
result Framework allows for non-linear variations in signals and incorporates useful priors for linear weights.
Nuclear magnetic resonance (NMR) spectroscopy is one of the leading techniques for protein studies. The method features a number of properties, allowing to explain macromolecular interactions mechanistically and resolve structures with atomic resolution. However, due to laborious data analysis, a full potential of NMR …
We formalize notions of robustness for composite estimators via the notion of a breakdown point. A composite estimator successively applies two (or more) estimators: on data decomposed into disjoint parts, it applies the first estimator on each part, then the second estimator on the outputs of the first estimator. And …
High-dimensional spectroscopy data makes ML models achieve near-perfect accuracy, even when chemical distinctions are absent.
problem Why machine learning models achieve near-perfect accuracy in spectroscopic classification tasks without chemically meaningful features.
method Theoretical analysis grounded in the Feldman-Hajek theorem and concentration of measure, combined with specific experiments on synthetic and real fluorescence spectra.
result Infinitesimal distributional differences in high-dimensional spaces can lead to perfect separability, making models achieve near-perfect accuracy in spectroscopy.
Ultra-short laser pulses with femtosecond to attosecond pulse duration are the shortest systematic events humans can create. Characterization (amplitude and phase) of these pulses is a key ingredient in ultrafast science, e.g., exploring chemical reactions and electronic phase transitions. Here, we propose and demonstr…
New method prevents neural network breakdown by combining trimmed loss and variation regularization.
problem Outlier contamination in neural network training.
method Integrates transformed trimmed loss and higher-order variation regularization.
result Ensures robustness to outlier contamination with a high functional breakdown point.
Unified framework for Byzantine robust gossip algorithms with guaranteed performance.
problem Vulnerability of decentralized machine learning to misbehaving devices.
method Introduces F-RG framework and CS+ robust aggregation rule for Byzantine resilience.
result CS+-RG has near-optimal breakdown tolerance and outperforms existing methods.
Dynamic Time Warping improves regression accuracy on spectroscopy data.
problem Improving regression accuracy on spectroscopy data with DTW when data is across multiple wavelengths.
method Illustrated DTW's effectiveness on spectroscopy time-series data, showing its benefits in improving regression accuracy when only a single wavelength is considered. DTW combined with k-Nearest Neighbour reveals similarities and differences at the time-series level.
result DTW improves regression accuracy on spectroscopy data, especially when considering a single wavelength.
Paper analyzes robustness of MDPDE under INH setups.
problem Global reliability and breakdown behavior of MDPDE under INH.
method Asymptotic breakdown point analysis of MDPDE.
result Derives a theoretical lower bound for the asymptotic breakdown point.
A RL approach optimizes metal AM process parameters for consistent melt pool depth.
problem Optimizing process parameters for metal additive manufacturing to ensure repeatability and control microstructure.
method A Reinforcement Learning (RL) framework based on Q-learning is applied to find optimal laser power and scan velocity combinations.
result The RL framework learns optimal process parameters without prior knowledge, providing a model-free approach.
The paper extends IPC framework to stationary physical systems and validates it with a photonic system.
problem Characterizing the computational capabilities of stationary physical systems in a principled, data-efficient way.
method Extended IPC framework, established fundamental results, derived asymptotic bias, introduced data-efficient estimation methods.
result IPC strongly correlates with machine-learning performance and provides a reliable estimate of system dimensionality.
Adapting robust statistics to neural networks, researchers found neural networks can be more robust with certain loss functions.
problem The robustness of neural networks in complex learning tasks.
method Adapting the regression breakdown point from robust statistics to neural networks and comparing different configurations and contamination settings.
result Neural networks can benefit from robust loss functions, as demonstrated in extensive simulations.
Active learning improves neutron spectroscopy experiments by automating measurement selection.
problem Efficiently searching for signals in neutron scattering experiments with limited beam time.
method Probabilistic active learning using log-Gaussian processes.
result Automated selection of informative measurements improves experimental efficiency.
LASER compresses recursive model activations by exploiting their low-dimensional structure.
problem Understanding and optimizing the geometric structure of recursive reasoning trajectories.
method Dynamic low-rank basis tracking via matrix-free subspace tracking with a fidelity-triggered reset mechanism.
result Recursive activations occupy a linear, low-dimensional subspace that can be compressed efficiently.
This work uses Sylvester normalizing flows for more accurate metabolite quantification in MRS.
problem Challenges in accurate metabolite quantification in MRS due to spectral overlap, low SNR, and artifacts.
method Bayesian inference framework with physics-informed Sylvester normalizing flows.
result Accurate metabolite quantification, well-calibrated uncertainties, and insights into parameter correlations and multi-modal distributions.
The support vector machine (SVM) is one of the most successful learning methods for solving classification problems. Despite its popularity, SVM has a serious drawback, that is sensitivity to outliers in training samples. The penalty on misclassification is defined by a convex loss called the hinge loss, and the unboun…
PCA improves detection of phase transitions in muon spectroscopy data from various materials.
problem Subtle changes in asymmetry function indicate phase transitions, but existing methods require material-specific knowledge.
method Applied unsupervised PCA to muon spectroscopy asymmetry data from multiple materials.
result PCA can recover phase transition indicators and improve detection of material-specific variations.
The spectroscopy measurement is one of main pathways for exploring and understanding the nature. Today, it seems that racing artificial intelligence will remould its styles. The algorithms contained in huge neural networks are capable of substituting many of expensive and complex components of spectrum instruments. In …
New algorithm estimates edge density of random graphs robustly, achieving optimal breakdown point.
problem Estimating edge density of Erdős-Rényi graphs under adversarial edge manipulation.
method Sum-of-Squares (SoS) hierarchy, constructing constant-degree certificates for concentration.
result First polynomial-time algorithm with optimal breakdown point and matching error guarantees.
Paper solves outlier robust mean estimation near breakdown point.
problem Estimating mean in presence of adversarial outliers.
method Sum-of-Squares approach to optimize error rate efficiently.
result Achieves optimal error rate for all ε ∈ [0, 1/2).
Optimizes tensor completion using geodesics on Segre manifolds.
problem Incomplete tensor data in recommender systems and spectroscopy.
method Riemannian conjugate gradient optimization with explicit geodesic expressions.
result Recovery of tensor decomposition from as little as 10% of data.
INNs improve acceptance rates in electron spectra analysis.
problem Analyzing electron spectra from near-critical laser-plasmas.
method Invertible Neural Networks (INNs) for forward and inverse modeling.
result INNs significantly increase acceptance rates up to a factor of 10.
The recent "correlation breakdown" in the modeling of credit default swaps, in which model correlations had to exceed 100% in order to reproduce market prices of supersenior tranches, is analyzed and argued to be a fundamental market inconsistency rather than an inadequacy of the specific model. As a consequence, marke…
RAMANMETRIX simplifies Raman spectroscopy data analysis.
problem Complexity of Raman spectroscopy data processing.
method User-friendly software with chemometric analysis workflow.
result Facilitates integration of Raman spectroscopy into clinical routines.
Currently there is no validated objective measure of pain. Recent neuroimaging studies have explored the feasibility of using functional near-infrared spectroscopy (fNIRS) to measure alterations in brain function in evoked and ongoing pain. In this study, we applied multi-task machine learning methods to derive a pract…
Complex models are commonly used in predictive modeling. In this paper we present R packages that can be used to explain predictions from complex black box models and attribute parts of these predictions to input features. We introduce two new approaches and corresponding packages for such attribution, namely live and …
Recognizing an object's material can inform a robot on the object's fragility or appropriate use. To estimate an object's material during manipulation, many prior works have explored the use of haptic sensing. In this paper, we explore a technique for robots to estimate the materials of objects using spectroscopy. We d…
Let $\M_*=\cup_{t\in [t_0, t_*)} Σ_t$ be a part of vacuum globally hyperbolic space-time $(\bM, \bg)$, foliated by constant mean curvature hypersurfaces Σt with t0<t∗<0. We show that the foliation can be extended beyond t∗ if the second fundamental form k and the lapse function n satisfy $$ \int_{t_0}^{t_…
Proposes a method for training Bayesian neural networks using synthetic data from Raman and CARS spectra.
problem Limited real observations in Raman and CARS spectroscopy.
method Log-Gaussian Gamma Processes and Bayesian Neural Networks.
result Trained Bayesian neural networks provide accurate estimates of Raman and CARS spectra with uncertainty quantification.
High-dimensional data common in genomics, proteomics, and chemometrics often contains complicated correlation structures. Recently, partial least squares (PLS) and Sparse PLS methods have gained attention in these areas as dimension reduction techniques in the context of supervised data analysis. We introduce a framewo…
According to a recent investigation, an estimated 33-50% of the world's coral reefs have undergone degradation, believed to be as a result of climate change. A strong driver of climate change and the subsequent environmental impact are greenhouse gases such as methane. However, the exact relation climate change has to …
MSFA clusters high-dimensional spatial data using spline-based covariance structures.
problem Clustering high-dimensional spatial data with flexible covariance structures.
method Mixture of spatial factor analyzers with spline-based covariance and matrix variate factor analyzers for dimensionality reduction.
result Proposed models accurately infer and differentiate distinct spatial patterns in tensor-variate data.
The paper analyzes the performance of delay-based reservoir computing using eigenvalue analysis.
problem Quantifying the performance of delay-based reservoir computing.
method Eigenvalue analysis of the dynamical system to predict reservoir computing performance.
result The performance of a reservoir computing system can be predicted by analyzing the small signal response and eigenvalue spectrum.
Convolutional neural network localizes OD and fovea in UWFoV-SLO images.
problem Localizing optic disc and fovea centers in ultra-widefield retinal images.
method Convolutional neural network trained on reflectance and autofluorescence images.
result 99.4% OD localisation accuracy and 99.1% fovea localisation accuracy.