A method to automatically learn proposal distributions for energy-based regression models.
problem Manual design and initial estimate of proposal distributions for energy-based regression models.
method Introduces a method to learn an effective proposal distribution automatically, parameterized by a separate network head, and derives a unified training objective to minimize KL divergence and negative log-likelihood.
result Consistently outperforms conventional MDN training on four real-world regression tasks within computer vision.
Gaussian process regression loses locality in high dimensions, affecting molecular energy surface fitting.
problem Loss of locality in high-dimensional Gaussian process regression.
method Analysis of Matern family kernels and multi-zeta basis functions.
result The property of locality disappears in high dimensions, impacting regression quality.
Global demographic and economic changes have a critical impact on the total energy consumption, which is why demographic and economic parameters have to be taken into account when making predictions about the energy consumption. This research is based on the application of a multiple linear regression model and a neura…
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrödinger equation is mapped onto a non-linear statistical regression problem of reduced complexity. Regression models a…
Unified detector calibration and simulation using MLE from generative models.
problem Combining detector calibration and simulation using traditional methods.
method Maximum likelihood estimation from conditional generative models.
result Prior-independent and non-Gaussian resolutions possible.
EB-RANSAC uses energy-based model for robust estimation without complex sampling.
problem Robust estimation of parameters in noisy data.
method EB-RANSAC combines RANSAC's sampling scheme with an energy-based model, simplifying the process and reducing hyperparameter requirements.
result EB-RANSAC effectively solves linear regression and maximum likelihood estimation problems.
We introduce multiscale invariant dictionaries to estimate quantum chemical energies of organic molecules, from training databases. Molecular energies are invariant to isometric atomic displacements, and are Lipschitz continuous to molecular deformations. Similarly to density functional theory (DFT), the molecule is re…
TPBS models improve robustness to overfitting with localized Dirichlet energy regularization.
problem Global Dirichlet energy-based regularization fails for TPBS models due to perfect interpolation.
method Propose local Dirichlet energy regularization and two inference estimators.
result TPBS models outperform neural networks in overfitting regimes and maintain competitive performance otherwise.
3D object detection improved using energy-based models.
problem Accurate 3D object detection in cluttered environments from sparse LiDAR data.
method Designing a differentiable pooling operator for 3D bounding boxes integrated into a state-of-the-art 3D object detector.
result Our approach consistently outperforms the SA-SSD baseline across all 3DOD metrics on the KITTI dataset.
The calculation of minimum energy paths for transitions such as atomic and/or spin re-arrangements is an important task in many contexts and can often be used to determine the mechanism and rate of transitions. An important challenge is to reduce the computational effort in such calculations, especially when ab initio …
New method improves EBMs for regression tasks.
problem Training EBMs for regression is challenging.
method Proposed a simple yet effective extension of noise contrastive estimation.
result Our method achieves state-of-the-art performance on 1D regression and object detection.
Parametric quantile regressions are a useful tool for creating probabilistic energy forecasts. Nonetheless, since classical quantile regressions are trained using a non-differentiable cost function, their creation using complex data mining techniques (e.g., artificial neural networks) may be complicated. This article p…
Many DNN-enabled vision applications constantly operate under severe energy constraints such as unmanned aerial vehicles, Augmented Reality headsets, and smartphones. Designing DNNs that can meet a stringent energy budget is becoming increasingly important. This paper proposes ECC, a framework that compresses DNNs to m…
Energy trees handle complex data structures with multiple variable types.
problem Handling intricate data structures with various types of covariates.
method Energy trees, a regression and classification model, use energy statistics to accommodate structured covariates of different types.
result Energy trees maintain statistical foundations, interpretability, and robustness to overfitting.
We present a deep learning approach for vertex reconstruction of neutrino-nucleus interaction events, a problem in the domain of high energy physics. In this approach, we combine both energy and timing data that are collected in the MINERvA detector to perform classification and regression tasks. We show that the resul…
A physics-based method improves data interpolators and regression tasks.
problem Improving accuracy and efficiency in function learning.
method Inspired by statistical mechanics, introduces corrections to minimize energy.
result Improves performance in interpolation and regression tasks, especially in high-dimensional spaces.
Improved text generation with constraints using discrete auto-regressive biasing.
problem Balancing fluency and constraint satisfaction in LLM outputs.
method Discrete Auto-regressive Biasing, leveraging gradients in discrete text space.
result Significantly improved constraint satisfaction with comparable fluency.
We describe dimensionally constrained symbolic regression which has been developed for mass measurement in certain classes of events in high-energy physics (HEP). With symbolic regression, we can derive equations that are well known in HEP. However, in problems with large number of variables, we find that by constraini…
DL models for MTS regression are vulnerable to adversarial attacks, posing risks in safety-critical applications.
problem Vulnerability of DL models to adversarial examples in MTS regression.
method Adversarial attack generation techniques from image classification were adapted for MTS.
result All state-of-the-art DL regression models (CNN, LSTM, GRU) are vulnerable to adversarial attacks.
Paper compares econometric models with machine learning for energy forecasting.
problem Tackles the trade-off between predictive accuracy and interpretability in energy markets.
method Integrates TVP-SVAR with copulas for forecasting energy--macro dynamics.
result Copula-enhanced econometric models provide interpretable insights while matching machine learning accuracy.
ANGLE tackles circular data regression, improving predictive performance.
problem Geometrically misleading traditional regression for circular data.
method Generative map optimized via GCES loss for non-parametric distributional regression.
result Unified toolbox for circular statistics challenges.
Improved language models by incorporating statistical discriminators.
problem Distinguishing model-generated text from real text reliably.
method Energy-Based Model framework to incorporate discriminators.
result Improves language model performance in perplexity and human evaluation.
Minimum energy paths for transitions such as atomic and/or spin rearrangements in thermalized systems are the transition paths of largest statistical weight. Such paths are frequently calculated using the nudged elastic band method, where an initial path is iteratively shifted to the nearest minimum energy path. The co…
In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that reflect their nature well. We perform a case study with a dataset of rare-earth…
The paper proposes a mixed-frequency quantile regression model for VaR and ES forecasting.
problem Forecasting VaR and ES with mixed-frequency data.
method Mixed-frequency quantile regression model to estimate VaR and ES.
result The proposed model outperforms other models in VaR and ES backtesting tests.
Hybrid approach improves probabilistic forecasts for electricity trading.
problem Improving probabilistic forecasts for electricity trading markets.
method Combines QRA and factor-based averaging for probabilistic forecasting.
result The hybrid approach outperforms benchmarks in statistical measures and economic value.
New bin-wise scaling methods improve prediction uncertainty calibration for machine learning.
problem Improving prediction uncertainty calibration for machine learning regression.
method Adaptations of Binwise Variance Scaling (BVS) with alternative loss functions and feature-based binning.
result Improved adaptivity and consistency in prediction uncertainty calibration.
New insights into simple kernel smoothing reveal surprising asymptotics.
problem Understanding precise asymptotics of Nadaraya-Watson kernel smoothing.
method Using ideas from the random energy model in statistical physics.
result Sharp asymptotics for the NW predictor on the sphere.
Kernel ridge regression is used to approximate the kinetic energy of non-interacting fermions in a one-dimensional box as a functional of their density. The properties of different kernels and methods of cross-validation are explored, and highly accurate energies are achieved. Accurate {\em constrained optimal densitie…
While deep learning-based classification is generally tackled using standardized approaches, a wide variety of techniques are employed for regression. In computer vision, one particularly popular such technique is that of confidence-based regression, which entails predicting a confidence value for each input-target pai…
New model predicts energy prices volatility by smoothing time variation and persistence.
problem Separate study of volatility's time variation and persistence.
method Dynamic persistence model that allows shocks with heterogeneous persistence to vary smoothly over time.
result Significantly improves volatility forecasts over state-of-the-art models.
One-step learning in crosspoint memory reduces computation time.
problem Real-time AI at the edge requires fast, low-energy computing.
method Crosspoint resistive memory with feedback configures linear and logistic regression.
result Linear and logistic regression can be computed in one step.
Discovering quasipotential equations from data using machine learning.
problem Understanding escape mechanisms from metastable states in nonlinear systems.
method Combining neural networks and sparse regression to symbolically reconstruct quasipotential equations.
result Model-unbiased analytical forms of quasipotential discovered directly from data.
The paper explores MMPR to select diverse models for scientific insight.
problem Model selection often fails to bring multiple underlying patterns to light.
method Multi-model penalized regression (MMPR) to acknowledge model uncertainty.
result Different penalty settings can promote either shrinkage or sparsity of coefficients in separate models.
In coming years residential consumers will face real-time electricity tariffs with energy prices varying day to day, and effective energy saving will require automation - a recommender system, which learns consumer's preferences from her actions. A consumer chooses a scenario of home appliance use to balance her comfor…
RS-HDMR-GPR simplifies complex functions with machine-learned lower-dimensional terms.
problem Representing and understanding complex multidimensional functions with sparse data.
method Random Sampling High Dimensional Model Representation Gaussian Process Regression (RS-HDMR-GPR).
result Facilitates recovery of functional dependence and adds insight into input variable importance.
Paper proposes a method to design molecules with specific properties.
problem Designing molecules with desired chemical and biological properties.
method Energy-based model in latent space, SGDS algorithm for gradual distribution shifting.
result Method achieves strong performances on various molecule design tasks.
Derives TAP approximation for Bayesian linear regression.
problem Log-normalizing constant of posterior distribution in high-dimensional linear regression.
method Variational representation and Thouless-Anderson-Palmer approximation.
result Proves TAP approximation for spherical prior in proportional asymptotic regime.
Paper finds a lower bound for estimating low-rank matrices in logistic regression.
problem Estimating low-rank coefficient matrices in logistic regression.
method Derives a minimax lower bound on the risk.
result The bound depends on matrix dimensions, rank, and sample size.
L-GATr transforms high-energy physics data using geometric algebra and Lorentz symmetry.
problem Extracting scientific understanding from particle-physics experiments with high precision and efficiency.
method L-GATr, a geometric algebra Transformer, representing data in 4D space-time and being equivariant under Lorentz transformations.
result L-GATr achieves performance comparable to or better than domain-specific baselines on regression, classification, and generative tasks.
Kolmogorov-Arnold Networks offer interpretable models for energy applications.
problem Lack of interpretability in modern machine learning methods for sensitive industries.
method Symbolic regression with Kolmogorov-Arnold Networks compared to traditional feedforward neural networks.
result Kolmogorov-Arnold Networks yield perfectly interpretable models and learn real, physical relations.
The paper develops GPR models for hyperelastic materials, improving accuracy and rotational invariance.
problem Modeling stress tensors of hyperelastic materials with fewer training examples and higher accuracy.
method Developed three approaches: direct stress tensor modeling, embedding rotational invariance, and recovering strain-energy density.
result Improved GPR models achieve higher accuracy and rotational invariance with fewer training examples.
Efficiently samples and learns densities with symmetries using equivariant methods.
problem Efficiently sampling and learning densities with symmetries.
method Equivariant Stein Variational Gradient Descent (SVGD) and equivariant energy based models.
result Improves and scales up training of energy based models.
Developed accurate empirical potentials for Si:H nanowires using multi-fidelity Gaussian process.
problem Accurate modeling of Si:H nanowires using fast but inaccurate empirical potentials and slow but accurate first-principle calculations.
method Employed multi-fidelity Gaussian process regression to integrate low-fidelity empirical potential data with high-fidelity first-principle calculations.
result Demonstrated the accuracy of developed empirical potentials for Si:H nanowires.
Accelerometer measurements are the prime type of sensor information most think of when seeking to measure physical activity. On the market, there are many fitness measuring devices which aim to track calories burned and steps counted through the use of accelerometers. These measurements, though good enough for the aver…
A general machine learning architecture is introduced that uses wavelet scattering coefficients of an inputted three dimensional signal as features. Solid harmonic wavelet scattering transforms of three dimensional signals were previously introduced in a machine learning framework for the regression of properties of sm…
Study shows increased VRE penetration reduces electricity prices and volatility.
problem Impact of increased variable renewable energy on electricity prices and volatility.
method Hourly, real-time data from six ISOs, quantile and skew t-distribution regressions.
result Increased VRE penetration is associated with decreased system electricity price and volatility in most ISOs.
Energy-based models (EBMs), a.k.a. un-normalized models, have had recent successes in continuous spaces. However, they have not been successfully applied to model text sequences. While decreasing the energy at training samples is straightforward, mining (negative) samples where the energy should be increased is difficu…