Protein structure prediction has been a grand challenge problem in the structure biology over the last few decades. Protein quality assessment plays a very important role in protein structure prediction. In the paper, we propose a new protein quality assessment method which can predict both local and global quality of …
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48 results for “structure quality”
Study improves data quality assessment for structural monitoring data.
problem Ensuring reliability of structural health monitoring data.
method Probabilistic data quality assessment using a conditional diffusion model.
result Significantly improves accuracy of data quality assessment.
Why Quantitative Structuring?q-fin.GN
Quality-designed consumer products are easy to recognize. Wouldn't it be great if the quality of financial products became just as apparent? This paper is addressed to financial practitioners. It provides an informal introduction to Quantitative Structuring -- a technology of manufacturing quality financial products (i…
With super-resolution optical microscopy, it is now possible to observe molecular interactions in living cells. The obtained images have a very high spatial precision but their overall quality can vary a lot depending on the structure of interest and the imaging parameters. Moreover, evaluating this quality is often di…
New SSIM measure improves adversarial attacks' perceptual quality.
problem Lack of perceptual quality in traditional adversarial attacks.
method Replaced norms with SSIM measure for better quality.
result SSIM-constrained attacks achieve better quality and similar success rate.
Neural model with parameterized algorithms improves graph CO problem solving.
problem Solving NP-hard graph combinatorial optimization problems efficiently and accurately.
method Combining neural models and parameterized algorithms to identify and handle hard and easy parts of CO instances.
result Framework produces superior solution quality and out-of-distribution generalization.
The paper defines and assesses the quality of datasets using a novel expected diameter metric.
problem Lack of rigorous methods to assess data quality.
method Formal definition of data quality, expected diameter metric, Fourier analysis, algebraic methods, probabilistic analysis.
result The expected diameter metric provides theoretical guarantees and practical solutions for data quality assessment.
CatSIM measures image similarity robustly to small changes.
problem Measuring similarity between images, especially with small perturbations.
method Uses structural similarity image quality paradigm, robust to small location changes.
result Structural similarity between images rated higher when not entirely overlapping.
A method merges two pretrained diffusion experts to improve image quality and likelihood.
problem Trade-off between image quality and data likelihood in diffusion models.
method Combining two pretrained diffusion experts by switching between them along the denoising trajectory.
result The merged model consistently matches or outperforms its base components, improving or preserving both likelihood and sample quality.
Paper proposes a method to enhance low-quality retinal images using optimal transport.
problem Artifacts and imperfections in retinal images lead to diagnostic inaccuracies.
method Leveraging optimal transport theory, an unpaired image-to-image translation scheme is proposed.
result The method improves perceptually and quantitatively the quality of low-quality retinal images.
Bayesian Neural Networks (BNNs) place priors over the parameters in a neural network. Inference in BNNs, however, is difficult; all inference methods for BNNs are approximate. In this work, we empirically compare the quality of predictive uncertainty estimates for 10 common inference methods on both regression and clas…
New autoencoder learns structured representations without regularization.
problem Learning structured representations without relying on regularization.
method Proposes a novel autoencoder architecture that learns a hierarchy of latent variables.
result Improves results in generation, disentanglement, and extrapolation tasks.
Paper tackles sparse, unstructured data tensors by optimizing adaptive aggregation granularity.
problem Sparse, unstructured data tensors are hard to analyze.
method Introduces IceBreaker, a greedy algorithm that optimizes adaptive tensor aggregation.
result IceBreaker constructs tensors with high structure quality from various datasets.
We present a principled approach for detecting overlapping temporal community structure in dynamic networks. Our method is based on the following framework: find the overlapping temporal community structure that maximizes a quality function associated with each snapshot of the network subject to a temporal smoothness c…
Geometric vector perceptrons improve protein structure learning.
problem Learning from protein structure with efficient and natural representations.
method Introducing geometric vector perceptrons to extend dense layers for Euclidean vectors, integrating geometric and relational reasoning.
result Improves model quality assessment and computational protein design over existing methods.
Nested Chinese Restaurant Process (nCRP) topic models are powerful nonparametric Bayesian methods to extract a topic hierarchy from a given text corpus, where the hierarchical structure is automatically determined by the data. Hierarchical Latent Dirichlet Allocation (hLDA) is a popular instance of nCRP topic models. H…
As a new approach to train generative models, \emph{generative adversarial networks} (GANs) have achieved considerable success in image generation. This framework has also recently been applied to data with graph structures. We propose labeled-graph generative adversarial networks (LGGAN) to train deep generative model…
We present a new paradigm for speeding up randomized computations of several frequently used functions in machine learning. In particular, our paradigm can be applied for improving computations of kernels based on random embeddings. Above that, the presented framework covers multivariate randomized functions. As a bypr…
Neural Network Gaussian Process Considering Input Uncertainty for Composite Structures Assemblystat.ML
Model predicts composite structures assembly quality with input uncertainty.
problem Accurate prediction of dimensional deviations and residual stress in composite structures assembly.
method Neural Network Gaussian Process considering input uncertainty.
result NNGPIU model outperforms other methods for nonsmooth, nonlinear responses.
We seek to better understand the difference in quality of the several publicly released embeddings. We propose several tasks that help to distinguish the characteristics of different embeddings. Our evaluation of sentiment polarity and synonym/antonym relations shows that embeddings are able to capture surprisingly nua…
Kaleidoscope matrices improve model quality and inference speed.
problem Choosing structured linear transformations for efficiency and accuracy.
method Introduce kaleidoscope matrices that can capture any structured matrix with near-optimal space and time complexity. Learn these matrices automatically within end-to-end pipelines.
result Kaleidoscope matrices can improve model quality and inference speed.
GCNs help in diagnosing label scarcity and feature quality on graphs.
problem Understanding when GCNs improve node classification.
method Simulated label scarcity, feature ablation, and per-class analysis.
result GCNs provide largest gains under extreme label scarcity, matching original performance with noisy features, but hurt when homophily is low and features are strong.
We present a structural clustering algorithm for large-scale datasets of small labeled graphs, utilizing a frequent subgraph sampling strategy. A set of representatives provides an intuitive description of each cluster, supports the clustering process, and helps to interpret the clustering results. The projection-based…
Frank-Wolfe methods (FW) have gained significant interest in the machine learning community due to its ability to efficiently solve large problems that admit a sparse structure (e.g. sparse vectors and low-rank matrices). However the performance of the existing FW method hinges on the quality of the linear approximatio…
A framework evaluates synthetic tabular data quality objectively.
problem Lack of an objective interpretation of tabular data metrics.
method Proposes a single mathematical objective for synthetic tabular data distribution, structurally decomposes it, and unifies existing metrics.
result Synthesizers that represent tabular structure outperform other methods, especially on smaller datasets.
A new method for selecting high quality itemsets from a large collection.
problem Selecting a small, high-quality subset of patterns from a larger collection of itemsets.
method Using decomposable families of itemsets and a junction tree structure.
result The method provides high quality results and is computationally efficient.
DCK improves air quality index prediction with probabilistic spatial models.
problem Non-Gaussian, complex spatial structure of air quality index.
method Deep classifier kriging (DCK) for non-Gaussian, nonlinear spatial prediction.
result DCK outperforms conventional methods in predictive accuracy and uncertainty quantification.
Graph clustering remains challenging for GNNs, but a new method improves performance.
problem Graph clustering is difficult for GNNs, especially in noisy data.
method Developed Deep Modularity Networks (DMoN) inspired by modularity measure.
result DMoN produces high-quality clusters with over 40% improvement over other methods.
New hierarchical VQ-VAE scheme improves image compression quality and features at low bitrates.
problem Low bitrate image compression maintaining quality and features.
method Hierarchical VQ-VAE with stochastic quantization and Markovian latent variables.
result High perceptual quality and semantic features at low bitrates.
This research evaluates the quality of unsupervised embeddings using linear separability metrics.
problem Difficulty in evaluating unsupervised learning model performance in practice.
method Survey and introduction of three methods, including a novel one, to assess embedding quality.
result Metrics can robustly estimate embedding quality in an unsupervised way.
We present ProxiModel, a novel event mining framework for extracting high-quality structured event knowledge from large, redundant, and noisy news data sources. The proposed model differentiates itself from other approaches by modeling both the event correlation within each individual document as well as across the cor…
Enhances statistical inference using synthetic data.
problem Limited labeled data for statistical inference.
method GESPI framework that combines synthetic and real data.
result Error rate remains below a user-specified bound and decreases with synthetic data quality.
In our work, we propose to represent HTM as a set of flat models, or layers, and a set of topical hierarchies, or edges. We suggest several quality measures for edges of hierarchical models, resembling those proposed for flat models. We conduct an assessment experimentation and show strong correlation between the propo…
We solve a high-dimensional model where nonlinear autoencoders detect hidden structure missed by PCA.
problem Hidden structure in high-dimensional data not detected by PCA.
method Tractable spiked model with two latent factors, one visible and one uncorrelated.
result Nonlinear autoencoders can extract hidden structure missed by PCA, even if reconstruction loss is higher.
New A* algorithm improves hierarchical clustering quality.
problem Improving hierarchical clustering quality in large search spaces.
method Combining A* search with a trellis data structure.
result Achieves higher quality results than baselines in particle physics and other benchmarks.
AirRL uses RL to infer urban air quality from selected stations.
problem Inferring fine-grained urban air quality from limited monitoring stations.
method Reinforcement learning model with a dynamic station selector and air quality regressor.
result AirRL achieves highest performance in air quality inference experiments.
Arbitrary style transfer is an important problem in computer vision that aims to transfer style patterns from an arbitrary style image to a given content image. However, current methods either rely on slow iterative optimization or fast pre-determined feature transformation, but at the cost of compromised visual qualit…
The study analyzes how probabilistic forecasts improve battery trading strategies in electricity markets.
problem Improvements in statistical forecast quality do not directly translate to economic value in battery trading strategies.
method The study frames battery optimization as a stochastic program based on fully probabilistic forecasts and examines decision quality under different uncertainty models.
result The study identifies two critical flaws in quantile-based trading strategies and provides theoretical justification and empirical evidence.
The paper proposes a new method to evaluate LLM agent responses using ECDF clustering.
problem The standard evaluation of LLM agent responses via majority voting obscures response quality and distribution.
method The paper introduces a novel evaluation framework based on ECDF of cosine similarities and clustering of ECDFs using distances and -medoids algorithm.
result ECDF clustering reveals interpretable group structures in LLM responses, offering insights into agent settings.
Study on sparse recovery with mixed-quality data, establishing sample-size conditions.
problem Sparse recovery with heterogeneous noise from high- and low-quality sources.
method Establishes linear trade-off for sufficient conditions, analyzes LASSO algorithm.
result Linear trade-off for sufficient conditions, robustness of LASSO to data heterogeneity.
Adaptive framework improves nonparametric dimensionality reduction.
problem Optimal hyper-parameter tuning for nonparametric dimensionality reduction.
method Adaptive framework using intrinsic dimension estimator and optimal local neighbourhood sizes.
result Significant improvements in various learning tasks through better low-dimensional visualizations.
Measures DNA quality degradation effects.
problem Identifying degraded DNA sequence data.
method Novel quality quantification based on intentional degradation effects.
result Quantified measures of degradation can be used for multiple purposes.
The network structure of city-firm relationsphysics.soc-ph
How are economic activities linked to geographic locations? To answer this question, we use a data-driven approach that builds on the information about location, ownership and economic activities of the world's 3,000 largest firms and their almost one million subsidiaries. From this information we generate a bipartite …
The exploitation of large-scale population data has the potential to improve healthcare by discovering and understanding patterns and trends within this data. To enable high throughput analysis of cardiac imaging data automatically, a pipeline should comprise quality monitoring of the input images, segmentation of the …
EGFC learns from streaming data to classify power quality disturbances.
problem Real-time detection and classification of power quality disturbances.
method Evolving Gaussian Fuzzy Classification (EGFC) framework with semi-supervised learning.
result Encouraging classification results from online data streams.
Estimates future ICU demand using age-structured data and logistic modeling.
problem Projecting future ICU demand from low-quality data.
method Age-structured sampling, logistic fit, subnotification factor correction.
result Corrected logistic curve projects future ICU demand.
Improved texture synthesis using wavelet-based statistics with rectifier non-linearity.
problem Improving texture synthesis quality using wavelet representations.
method Proposes a family of statistics based on non-linear wavelet representations with a generalized rectifier non-linearity.
result Significantly improves visual quality of texture synthesis compared to classical wavelet-based models.
nn-dependability-kit: Engineering Neural Networks for Safety-Critical Autonomous Driving Systemscs.LG
Can engineering neural networks be approached in a disciplined way similar to how engineers build software for civil aircraft? We present nn-dependability-kit, an open-source toolbox to support safety engineering of neural networks for autonomous driving systems. The rationale behind nn-dependability-kit is to consider…