Machine learning predicts band gaps for large organic crystals.
problem Predicting band gaps for complex organic crystal structures.
method Released a dataset of 12,500 crystal structures and their band gaps. Trained two state-of-the-art models to achieve a mean absolute error of 0.388 eV.
result Trained models predict band gaps with 13% error for an average gap of 3.05 eV.
Deep learning optimizes wireless band switching without measurement gaps.
problem Wireless networks waste data during band switching due to measurement gaps.
method Online-learning based classifier models exploiting spatial and spectral correlation.
result 30% improvement in mean effective rates compared to industry standard.
New method for uncertainty analysis in TabPFN, a state-of-the-art tabular transformer.
problem No method for uncertainty decomposition in TabPFN.
method Casted as a Bayesian predictive inference problem, derived variance estimators using predictive CLT.
result Fast to compute credible bands that target epistemic uncertainty and achieve near-nominal frequentist coverage.
Efficiently constructs prediction bands with minimal assumptions.
problem Uncertainty quantification for nonparametric, heteroscedastic data.
method Semi-definite programming for data-adaptive prediction bands.
result Strong non-asymptotic coverage properties with minimal distributional assumptions.
Method predicts biomarker trajectories with uncertainty bands for Alzheimer's disease.
problem Uncertainty in biomarker predictions poses risks in clinical deployment.
method Conformal prediction for randomly-timed biomarker trajectories.
result Conformal bands achieve desired coverage and are tighter than baseline.
Knots from a specific band sum have similar homologies but are distinct.
problem Cosmetic crossing conjecture for knots from a specific band sum.
method Analyzing knot homologies (Heegaard, instanton, Khovanov) to verify distinctness.
result Knots from the band sum are distinct despite similar homologies.
Prove first-band large-diameter asymptotics for Dirichlet spectrum on horoconvex domains in real hyperbolic space.
problem Prove first-band large-diameter asymptotics for Dirichlet spectrum on horoconvex domains in real hyperbolic space.
method Prove first-band large-diameter asymptotics for Dirichlet spectrum on horoconvex domains in real hyperbolic space.
result Prove first-band large-diameter asymptotics for Dirichlet spectrum on horoconvex domains in real hyperbolic space.
SPLICE generates accurate time-series imputations with reliable prediction intervals.
problem Lack of reliability guarantees in time-series imputation models.
method Modular framework combining latent generative imputation with distribution-free prediction intervals.
result SPLICE achieves lowest mean Load-only MSE and best CRPS on various datasets.
Two conformal methods create flexible conditional predictive bands without strong assumptions.
problem Achieving asymptotic conditional coverage without strong dependence assumptions.
method Flexible distribution-free conditional predictive bands using density estimators.
result Methods achieve better control of conditional coverage and smaller length than previous methods.
Paper tackles BA in dual-band systems using ML.
problem Choosing the best frequency band for communication in dual-band systems.
method Formulated as binary classification problem, proposed supervised ML solutions.
result Analytical and Viterbi Algorithm-based solutions for directional BA.
Band-limited training reduces resource usage without sacrificing accuracy.
problem Resource constraints in training Convolutional Neural Networks (CNNs).
method Artificially constraining the frequency spectra of convolutional filters during training.
result CNNs can leverage lower-frequency components effectively, reducing resource usage.
Paper proposes a method to estimate confidence bands for survival random forests.
problem No statistically valid and computationally feasible approach for estimating confidence bands for survival random forests.
method Extending recent developments in infinite-order incomplete U-statistics, the paper proposes an unbiased confidence band estimation.
result The proposed method accurately estimates the confidence band and achieves desired coverage rate.
This paper applies conformal prediction techniques to compute simultaneous prediction bands and clustering trees for functional data. These tools can be used to detect outliers and clusters. Both our prediction bands and clustering trees provide prediction sets for the underlying stochastic process with a guaranteed fi…
Researchers study fairness-accuracy tradeoffs in predictive models for multiple groups.
problem Understanding the tradeoff between fairness and accuracy in models serving multiple demographic groups.
method Characterizing the fairness-accuracy (FA) Pareto frontier, approximating it from limited data, and bounding the worst-case gap.
result Derivation of worst-case-optimal estimators and uniform finite-sample bounds for the entire FA frontier.
We develop a general framework for distribution-free predictive inference in regression, using conformal inference. The proposed methodology allows for the construction of a prediction band for the response variable using any estimator of the regression function. The resulting prediction band preserves the consistency …
Paper proposes a smart neck-band for detecting neck postures using integrated kinematic and kinetic data.
problem Improper neck postures lead to musculoskeletal disorders requiring therapy and rehabilitation.
method Integrated use of kinematic and kinetic data with machine learning algorithms.
result 100% accuracy in predicting neck postures using the proposed platform.
CP-ROC bands improve graph classification accuracy and uncertainty quantification.
problem Uncertainty quantification and robustness to distributional shifts in graph classification.
method Conditional Prediction ROC (CP-ROC) bands for graph classification, developed for TGNNs and adaptable to GNNs.
result Statistically guaranteed coverage for CP-ROC under local exchangeability condition, improving prediction reliability.
Data-driven approach discovers molecular photoswitches with separated electronic absorption bands.
problem Engineering photoswitchable molecules with specific electronic absorption bands remains challenging.
method Data-driven discovery pipeline using Gaussian processes for multitask learning.
result Multioutput Gaussian process (MOGP) trained on four photoswitch transition wavelengths outperforms single-task models and TD-DFT.
Every link is shown to be presentable as a boundary of an unknotted flat banded surface. A (flat) banded link is defined as a boundary of an unknotted (flat) banded surface. A link's (flat) band index is defined as the minimum number of bands required to present the link as boundaries of an unknotted (flat) banded surf…
In conventional chemisorption model, the d-band center theory (augmented sometimes with the upper edge of d-band for imporved accuarcy) plays a central role in predicting adsorption energies and catalytic activity as a function of d-band center of the solid surfaces, but it requires density functional calculations that…
Extend CPS to non-exchangeable settings with observation-specific permutation weights
problem Calibrated predictive bands under distributional shifts
method Encoding distributional shifts through observation-specific permutation weights
result Shift-aware predictive systems remain valid
Despite increasing focus on data publication and discovery in materials science and related fields, the global view of materials data is highly sparse. This sparsity encourages training models on the union of multiple datasets, but simple unions can prove problematic as (ostensibly) equivalent properties may be measure…
Knots connected via a trivial band sum to connected sum.
problem Conditions for band-connected sum to equal connected sum.
method Analyzing knots and bands to determine conditions for equality.
result A band is trivial if and only if a band-connected sum equals a connected sum.
New method for accurate uncertainty estimation in deep learning predictions.
problem Insufficient methods for assessing prediction uncertainty in deep learning.
method Valid non-parametric bootstrap method for deep neural networks.
result Accurate confidence intervals and simultaneous confidence bands for survival data.
Satellite knots can be trivialized by a single band move.
problem Satellite knots and their trivialization.
method Infinite family of satellite knots and a single band move.
result No disjoint band unknotting exists for satellite knots.
Paper proves a noncompact version of Gromov's band-width estimate.
problem Proving a precise upper bound for noncompact Riemannian bands.
method Developed a quantitative partitioned manifold index theory.
result Proved a version of Gromov's band-width estimate for noncompact Riemannian bands.
Graph networks struggle with multi-task learning due to varying property loss surface curvatures.
problem Graph networks underperform in multi-task learning for crystal and molecule properties.
method Assessed curvature of property loss surfaces via spectral properties of Hessians, matrix-free using randomized numerical linear algebra.
result Varying curvature of property loss surfaces explains graph networks' multi-task learning inefficiency.
FFCP improves FCP's speed without sacrificing accuracy.
problem Inefficient feature transformation in FCP.
method Introduces FFCP using Taylor expansion for faster computation.
result FFCP achieves a 50x speedup with comparable accuracy.
Many problems that appear in biomedical decision making, such as diagnosing disease and predicting response to treatment, can be expressed as binary classification problems. The costs of false positives and false negatives vary across application domains and receiver operating characteristic (ROC) curves provide a visu…
Proposes ANN for more accurate path loss prediction in urban environments.
problem Inaccurate path loss prediction in complex urban environments.
method Artificial Neural Network (ANN) for multi-dimensional regression modeling of path loss.
result The proposed ANN model is more accurate and flexible than conventional linear models.
Studies in recent years have demonstrated that neural organization and structure impact an individual's ability to perform a given task. Specifically, individuals with greater neural efficiency have been shown to outperform those with less organized functional structure. In this work, we compare the predictive ability …
Study shows upper limit for torical band width with spectral curvature bounds.
problem Understanding the band width of torical bands with spectral curvature constraints.
method Used the warped \( μ\)-bubble method with spectral curvature bounds.
result Upper bound for the band width of torical bands is established.
The goal of this study is to explain and examine the statistical underpinnings of the Bollinger Band methodology. We start off by elucidating the rolling regression time series model and deriving its explicit relationship to Bollinger Bands. Next we illustrate the use of Bollinger Bands in pairs trading and prove the e…
We study the ribbon discs that arise from a symmetric union presentation of a ribbon knot. A natural notion of symmetric ribbon number is introduced and compared with the classical ribbon number. We show that the gap between these numbers can be arbitrarily large by constructing an infinite family of ribbon knots with …
UTOPIA aggregates multiple prediction intervals efficiently.
problem Constructing optimal prediction intervals for various real-world data problems.
method UTOPIA is a universally trainable strategy using linear or convex programming.
result UTOPIA constructs prediction intervals with small average width and high coverage probability.
New rational band moves simplify knot classification.
problem Classifying knots using rational moves.
method Introduced oriented rational band moves and proved their effectiveness.
result Knots that can be unlinkified by rational moves are rationally slice.
We give a short proof that if a non-trivial band sum of two knots results in a tight fibered knot, then the band sum is a connected sum. In particular, this means that any prime knot obtained by a non-trivial band sum is not tight fibered. Since a positive L-space knot is tight fibered, a non-trivial band sum never yie…
Classifies S1-invariant free boundary minimal annuli and Möbius bands in Bn.
problem Classifying S1-invariant free boundary minimal annuli and Möbius bands in Bn. method Analysis of the spectrum of the Dirichlet-to-Neumann map for S1-invariant metrics. result Existence and classification of S1-invariant free boundary minimal annuli and Möbius bands in Bn. Optimal clustering framework selects bands for hyperspectral images.
problem Efficiently choosing representative bands in hyperspectral images.
method Proposes an optimal clustering framework (OCF) and rank on clusters strategy (RCS) for band selection.
result Significantly outperforms other methods on various data sets.
The paper creates nonparametric confidence bands for band-limited functions.
problem Estimating confidence bands for band-limited functions with finite samples and unknown noise.
method Uses Paley-Wiener reproducing kernel Hilbert spaces and gradient-perturbation methods.
result Non-asymptotic guarantees for confidence regions without assuming a parametric model.
New method removes MRI banding without post-processing.
problem MRI banding in reconstructed images.
method Adversarial training to penalize banding structures.
result Superior banding removal compared to baseline.
A new neural network separates singing voices more effectively.
problem Separating singing voices from mixed signals with high accuracy.
method MBR-FCN that processes different frequency bands with varying resolutions and filters.
result The MBR-FCN achieves better performance with fewer parameters.
Paper shows that for torus knots, the pinch number equals the unoriented band unknotting number.
problem Determining the minimum number of band surgeries to unknot torus knots.
method Used the torsion order of unoriented knot Floer homology.
result Pinch number and unoriented band unknotting number coincide for torus knots.
New method finds arbitrage opportunities in fluctuating asset bands.
problem Finding arbitrage opportunities in fluctuating asset bands.
method Formulate as maximizing volatility within a price band, using convex-concave optimization.
result Approximately solves non-convex optimization problem for moving-band arbitrage.
Develops Llarull type theorems for 3D and 4D bands with spectral scalar curvature bounds.
problem Bounding scalar curvature and metric on 3D and 4D bands simultaneously.
method Warped μ-bubble method result Establishes Llarull type theorems for 3D and 4D bands with spectral scalar curvature bounds.
Every classical knot is band-pass equivalent to the unknot or the trefoil. The band-pass class of a knot is a concordance invariant. Every ribbon knot, for example, is band-pass equivalent to the unknot. Here we introduce the long virtual knot concordance group VC. It is shown that for every concordance cla…
Study surfaces in 4-manifolds using banded unlink diagrams.
problem Representing and manipulating immersed surfaces in 4-manifolds.
method Singular banded unlink diagrams and associated moves.
result Every immersed surface can be represented uniquely by a singular banded unlink diagram.
The paper improves nonparametric confidence bands for band-limited functions.
problem Constructing nonparametric simultaneous confidence bands with nonasymptotic and distribition-free guarantees.
method Based on Paley-Wiener reproducing kernel Hilbert spaces, the paper relaxes assumptions, improves noise estimation, and tightens constraints.
result Enhanced confidence bands with improved efficiency and tighter constraints.