AI models predict new opioid ligands from molecular dynamics.
problem Lack of crystal structures limits virtual screening of drug candidates.
method Molecular dynamics simulation and machine learning.
result Identified a novel opioid chemotype.
On-device research index
arXiv research
A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
169,181 papers · 148 categories
Trend · papers per month
48 results for “ligand-structure relationships”
LoCEC classifies user relationships in large social networks, addressing sparsity issues.
problem Sparse relationship feature and label data in real social platforms.
method Local Community-based Edge Classification (LoCEC) framework with three-phase processing.
result Effective and efficient classification of user relationships in large-scale networks.
The study identifies relationship lending in interbank markets using statistical tests.
problem Lack of consensus on measuring relationship strength in lending between banks.
method Statistical tests to identify relationship lending as significant ties between banks.
result The fraction of relationship lending is stable and lenders impose high interest rates during financial distress.
A CNN model learns complex relationships in knowledge graphs.
problem Exploring complex relationships between entities and relationships in knowledge graphs.
method A Convolutional Neural Network (CNN) is used to learn entity and relationship representations in knowledge graphs.
result The proposed model outperforms state-of-the-art models on exploring unseen relationships.
Proposes a method to generate realistic counterfactuals by learning relationships.
problem Counterfactual explanations often ignore intrinsic relationships between data attributes.
method Uses a variational auto-encoder to learn relationships and perturb the latent space.
result The model preserves relationships and generates realistic counterfactuals.
Algorithm finds significant sub-interval relationships in time series data.
problem Finding meaningful interactions in small sub-intervals of time series data.
method Fast-optimal guaranteed algorithm for sub-interval relationships (SIR).
result Algorithm identifies SIR relationships that are prominent in specific sub-intervals.
Modeling lead-lag relationship between two text corpora for improved topic modeling.
problem Recognizing the relationship between multiple text corpora for better topic modeling.
method Proposed a jointly dynamic topic model and embedding extension for large-scale text corpus.
result The proposed model can well recognize the lead-lag relationship between two text corpora and improve topic learning.
New method evaluates financial graphs for stock trend forecasting.
problem Lack of dynamic stock relationship graphs and evaluation methods.
method SPNews dataset and novel evaluation methods independent of downstream tasks.
result Evaluation methods can differentiate between various financial relationship graphs.
Shifu2 discovers advisor-advisee relationships in collaboration networks.
problem Discovering hidden advisor-advisee relationships in scientific collaboration networks.
method Network Representation Learning (NRL) model, considering both network structure and node/edge semantics.
result Improved stability and effectiveness compared to state-of-the-art methods.
This study identifies sentence relationships in legal transcripts.
problem Improving understanding of legal case proceedings through sentence relationships.
method Combining machine learning and rule-based approach to classify sentence relationships.
result First study to use discourse relationships for legal court case transcripts.
Algorithm detects lead-lag relationships in multivariate time series.
problem Understanding temporal dependencies between time series.
method Cluster-driven methodology based on dynamic time warping.
result Robust detection of lead-lag relationships in lagged multi-factor models.
Deep learning model extracts medical treatment-problem relationships.
problem Mining relationships between treatments and medical problems.
method Hybrid approach combining deep learning and rule-based systems.
result System achieved promising performance on medical relation extraction task.
Paper discovers sub-interval relationships in time series data.
problem Finding complex patterns of relationships between time series data.
method Proposes a novel approach to find most interesting sub-interval relationships (SIR) in a pair of time series.
result Discovered statistically significant sub-interval relationships with physical interpretation.
Recently the interest of researchers has shifted from the analysis of synchronous relationships of financial instruments to the analysis of more meaningful asynchronous relationships. Both of those analyses are concentrated only on Pearson's correlation coefficient and thus intraday lead-lag relationships associated wi…
Proves exact relationship between optimal denoising and data distribution.
problem Understanding the relationship between denoising and data distribution.
method Analyzes additive Gaussian noise to prove exact relationship.
result Generalizes known relationship to non-small noise conditions.
Study on the relationship between explanations and predictions in machine learning models.
problem Understanding the relationship between explanations and predictions in machine learning models.
method Causal inference to measure treatment effect on hyperparameters and inputs.
result The relationship between explanations and predictions is far from ideal, especially in high-performing models.
Proposes LSR-IGRU for improved stock trend prediction.
problem Challenges in stock price prediction due to complex relationships and nonlinear dynamics.
method Long short-term relationships matrix and improved GRU input for better temporal and relationship integration.
result Significantly improved accuracy in predicting stock trend changes.
For analysis of a high-dimensional dataset, a common approach is to test a null hypothesis of statistical independence on all variable pairs using a non-parametric measure of dependence. However, because this approach attempts to identify any non-trivial relationship no matter how weak, it often identifies too many rel…
This paper proposes a method to reveal task relationships in multi-task learning models using sparse graphs.
problem Understanding the underlying task relationships in multi-task learning models.
method Proposes a bilevel formulation of multi-task learning that induces sparse graphs.
result The method improves interpretability of multi-task learning models without sacrificing generalization performance.
No arbitrage found with market frictions for time-lagged asset returns.
problem Existence of time-lagged cross-correlations in financial returns.
method Introduced market frictions like minimal waiting time or transaction costs.
result No arbitrage possible with market frictions.
Estimates lead-lag relationships in high-frequency financial markets without interpolation.
problem Lag relationships in high-frequency financial markets with non-synchronous data.
method Proposes a novel estimation procedure for scale-by-scale lead-lag relationships.
result Identifies two types of lead-lag relationships at different time scales.
Study lead-lag relationships in foreign exchange markets using three approaches.
problem Lack of research on lead-lag relationships in foreign exchange markets.
method Three approaches: lagged correlations, lagged partial correlations, and Granger causality.
result Statistically significant lead-lag relationships found in some exchange rate pairs.
Paper tackles labelling problem in datasets with nonlinear relationships.
problem Discovering nonlinear relationships in noisy datasets.
method Develops a framework for labelling, introduces precise label notion, proposes algorithm to discover labels.
result Algorithm successfully discovers labels in synthetic datasets.
Proposes C2RM to mine cross-cryptocurrency relationships for better Bitcoin price prediction.
problem Limited consideration of historical relationships and interactions between cryptocurrencies for Bitcoin price prediction.
method C2RM module using Dynamic Time Warping for lead-lag relationship extraction and aggregation.
result Improves existing price prediction methods by significant performance improvement.
Refines diagnostic prediction using causal relationships.
problem Improving accuracy of pain diagnostics prediction.
method Two approaches: 1) Inference of causal relationships, 2) Post-processing refinement.
result Potential for improving pain diagnostics prediction accuracy.
SMART: A Flexible Approach to Regression using Spline-Based Multivariate Adaptive Regression Treesstat.ML
SMART combines decision trees and MARS for better regression modeling.
problem High variance in decision trees for continuous relationships, poor performance in MARS for discontinuities.
method SMART uses a decision tree to identify subsets with distinct continuous relationships, then applies MARS to fit these relationships independently.
result SMART improves regression performance over state-of-the-art methods in capturing discontinuities and continuous relationships.
New method uses SEMs to uncover cause-effect in manufacturing processes.
problem Complex cause-and-effect relationships in manufacturing processes.
method Using Structural Equation Models with non-linear relationships.
result More informative cause-effect relationships derived from data.
This paper presents a novel multitask multiple kernel learning framework that efficiently learns the kernel weights leveraging the relationship across multiple tasks. The idea is to automatically infer this task relationship in the \textit{RKHS} space corresponding to the given base kernels. The problem is formulated a…
Double autoencoder improves missing value imputation in recommender systems.
problem Imputing missing values in tables using row-row and column-column relationships.
method Simultaneously uses row-row and column-column relationships through a double autoencoder.
result outperforms state-of-the-art models in recommender systems.
Bayesian method discovers local causal relationships among genes from gene expression data.
problem Discovering gene regulatory relationships from gene expression data.
method Bayesian approach scoring covariance structures for triplets of normally distributed variables, incorporating background knowledge as priors.
result Stable and conservative posterior probability estimates of local causal structures.
New method discovers useful structure in multi-view data for clinical applications.
problem Detecting slow bleeding in patients monitored for central venous pressure.
method Proposes a method to characterize globally nonlinear multi-view relationships using a mixture of linear relationships.
result Demonstrates the potential to find useful structure in data that is hard to find with single-view or current multi-view methods.
Paper uses HGNN to predict stock types from relationships and temporal data.
problem Predicting stock types from complex market data.
method Integrates stock relationships and temporal data using HGNN.
result Effective prediction of stock types with HGNN model.
CDDN tackles visual relationship detection with context-dependent diffusion networks.
problem Combustion of combinatorial explosion in relation triplets detection.
method CDDN framework using semantic and visual scene graphs for adaptive information aggregation.
result CDDN achieves state-of-the-art performance on visual relationship detection datasets.
A new method makes adversarial domain adaptation aware of class relationships.
problem Ignoring inter-class semantic relationships in domain adaptation.
method RADA algorithm that aligns inter-class dependencies learned from domain discriminator with those from label predictor.
result Improves performance on benchmark datasets by incorporating class relationships.
Discover novel multivariate relationships in time series data.
problem Capturing novel relationships between time series in complex systems.
method Introducing multipoles as linear relationships among more than two time series, identifying them as cliques of negative correlations in a correlation network.
result Almost all multipoles can be efficiently found using a clique-enumeration approach.
New method uses entropy to generate multiple plausible causal maps.
problem Learning causal relationships from noisy data can lead to artifacts in DAGs.
method Entropy-based inference to generate an ensemble of plausible causal graphs.
result Multiple causal maps consistent with underlying data variability.
Rhino learns causal relationships from time series data with history-dependent noise.
problem Discovering causal relationships from time series data with non-linear relations, instantaneous effects, and history-dependent noise.
method Combines vector auto-regression, deep learning, and variational inference.
result Demonstrates better causal relationship discovery performance compared to baselines.
Relational Autoencoder improves feature extraction by considering data relationships.
problem Feature extraction from high-dimensional data fails to consider data relationships.
method Proposes a Relation Autoencoder model that considers both features and relationships.
result Considering data relationships generates more robust features with lower error rates.
Bayesian model reduces stock volatility by identifying key cointegrated relationships.
problem Constructing low volatility stock portfolios from a large number of stocks.
method High dimensional Bayesian cointegration estimation.
result Portfolios with reduced volatility and persistence of cointegration relationships.
Causal inference concerns the identification of cause-effect relationships between variables. However, often only linear combinations of variables constitute meaningful causal variables. For example, recovering the signal of a cortical source from electroencephalography requires a well-tuned combination of signals reco…
Develops DDC to improve clustering with deep neural networks.
problem Low-level indiscriminative representations and lack of pattern relationships in traditional clustering methods.
method Introduces global and local constraints to a deep neural network for adaptive relationship estimation and high-level representation learning.
result DDC outperforms current methods on multiple datasets.
Method detects lead-lag relationships in multivariate time series.
problem Discovering lead-lag relationships in multivariate time series.
method Clustering-driven methodology using sliding window and various clustering techniques.
result Robust lead-lag estimates across clusters enhance consistent relationships identification.
We introduce a guide to help deep learning practitioners understand and manipulate convolutional neural network architectures. The guide clarifies the relationship between various properties (input shape, kernel shape, zero padding, strides and output shape) of convolutional, pooling and transposed convolutional layers…
This study examines evolving networks of P2P lending relationships, revealing scale-free characteristics and the impact of interest rate and term.
problem Understanding the structural characteristics of evolving networks of debtor-creditor relationships in P2P lending.
method Modeling P2P lending networks as evolving networks with addition and deletion of nodes, analyzing attributes and factors affecting the scale-free exponent.
result P2P lending networks are scale-free with significant influence from interest rate and term on the exponent of power-law.
Proposes a partially linear structure to capture nonlinear relationships in mixture of experts models.
problem Suboptimal estimates due to linearity assumption in mixture of experts models.
method Introduces a partially linear structure that incorporates unspecified functions to capture nonlinear relationships.
result Establishes the identifiability of the proposed model under mild conditions and introduces a practical estimation algorithm.
Company Competition Graphq-fin.GN
System constructs public competitor graph from financial reports.
problem Time-consuming and expert-laden manual extraction of corporate relationships.
method Financial report processing to generate reliable knowledge graph of corporate relationships.
result More than 83% of S\&P 500 companies' competition relationships retrieved.
On Discovery of Local Independence over Continuous Variables via Neural Contextual Decompositioncs.LG
Method discovers local independence in systems with continuous variables.
problem Applying Context-Specific Independence (CSI) to continuous variables is impractical.
method Neural contextual decomposition (NCD) learns partition of joint outcome space.
result NCD successfully discovers local independence in synthetic and real-world systems.
Extended spinor connections associated with composite spin-tensorial bundles are considered. Commutation relationships for covariant and multivariate differentiations and corresponding curvature spin-tensors are derived.