Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction prediction problem as a link prediction problem and present two novel methods fo…
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48 results for “drug-drug interaction”
Deep Rule Forests identifies drug-drug and drug-disease interactions causing AKI.
problem Identifying drug-drug and drug-disease interactions leading to AKI.
method Deep Rule Forests (DRF) algorithm discovering rules from multilayer tree models.
result DRF model outperforms other algorithms in prediction accuracy and interpretability.
Bi-GNN models drug interactions using a bi-level graph approach.
problem Predicting drug-drug interactions using machine learning.
method Bi-level graph neural networks that consider both interaction graph and representation graphs of drugs.
result Bi-GNN model improves DDI prediction accuracy compared to existing methods.
Predicting and discovering drug-drug interactions (DDIs) is an important problem and has been studied extensively both from medical and machine learning point of view. Almost all of the machine learning approaches have focused on text data or textual representation of the structural data of drugs. We present the first …
We propose an end-to-end model to predict drug-drug interactions (DDIs) by employing graph-augmented convolutional networks. And this is implemented by combining graph CNN with an attentive pooling network to extract structural relations between drug pairs and make DDI predictions. The experiment results suggest a desi…
New method improves graph neural networks by considering different types of relations in sampling.
problem Current graph neural networks ignore relation types in biomedical graphs, leading to suboptimal performance.
method Proposes relation-dependent sampling for multi-relational graphs to balance relation frequency and importance.
result State-of-the-art graph neural networks achieve better accuracy and efficiency with relation-dependent sampling.
Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs as nodes and drug-drug interactions as links and casting DDI predictions as link…
Paper proposes a new method for predicting drug interactions using adversarial autoencoders.
problem Predicting drug interactions to prevent adverse events.
method Introduces adversarial autoencoders based on Wasserstein distances and Gumbel-Softmax relaxation to generate high-quality negative samples.
result Significant improvements in link prediction and DDI classification tasks.
STNN-DDI predicts drug interactions using substructure-aware neural networks.
problem Predicting drug-drug interactions (DDIs) to avoid side effects in poly-drug treatments.
method Designing a novel Substructure-ware Tensor Neural Network (STNN-DDI) that learns a 3-D tensor of substructure-substructure interactions.
result Significant improvement in AUC, AUPR, Accuracy, and Precision compared to state-of-the-art models.
Background. Drug-drug interaction (DDI) is a major cause of morbidity and mortality. [...] Biomedical literature mining can aid DDI research by extracting relevant DDI signals from either the published literature or large clinical databases. However, though drug interaction is an ideal area for translational research, …
Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are developed within support vector machines for the prediction. Graph matching methods are …
Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing approaches either do not customize based on patient health history, or ignore existi…
Drug-drug interactions (DDIs) are a major cause of preventable hospitalizations and deaths. Predicting the occurrence of DDIs helps drug safety professionals allocate investigative resources and take appropriate regulatory action promptly. Traditional DDI prediction methods predict DDIs based on the similarity between …
AttentionDDI: Siamese Attention-based Deep Learning method for drug-drug interaction predictionsq-bio.QM
A neural network predicts drug interactions using attention mechanisms.
problem Predicting drug-drug interactions from massive combinations of drugs.
method Siamese self-attention multi-modal neural network integrating drug characteristics.
result The model achieves AUPR scores ranging from 0.77 to 0.92 on various benchmark datasets.
Drug-drug interaction (DDI) is a major cause of morbidity and mortality and a subject of intense scientific interest. Biomedical literature mining can aid DDI research by extracting evidence for large numbers of potential interactions from published literature and clinical databases. Though DDI is investigated in domai…
The use of drug combinations, termed polypharmacy, is common to treat patients with complex diseases and co-existing conditions. However, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient. Polypharmacy side effects emerge because of drug-drug interactions, in which activi…
The occurrence of drug-drug-interactions (DDI) from multiple drug dispensations is a serious problem, both for individuals and health-care systems, since patients with complications due to DDI are likely to reenter the system at a costlier level. We present a large-scale longitudinal study (18 months) of the DDI phenom…
GEN tackles few-shot out-of-graph link prediction in evolving multi-relational graphs.
problem Predicting links between unseen nodes in evolving multi-relational graphs with few edges per node.
method Transductive meta-learning framework (GEN) for inductive and transductive inference.
result GEN significantly outperforms relevant baselines for out-of-graph link prediction tasks.
Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still plenty which remain undiscovered when the drugs are put on the market. Such acc…
Drug-Drug Interactions (DDIs) Extraction refers to the efforts to generate hand-made or automatic tools to extract embedded information from text and literature in the biomedical domain. Because of restrictions in hand-made efforts and their lower speed, Machine-Learning, or Deep-Learning approaches have become more po…
Adverse drug-drug interactions (DDIs) remain a leading cause of morbidity and mortality. Identifying potential DDIs during the drug design process is critical for patients and society. Although several computational models have been proposed for DDI prediction, there are still limitations: (1) specialized design of dru…
Noisy, sparse, nonlinear: Navigating the Bermuda Triangle of physical inference with deep filteringphysics.chem-ph
Capturing the microscopic interactions that determine molecular reactivity poses a challenge across the physical sciences. Even a basic understanding of the underlying reaction mechanisms can substantially accelerate materials and compound design, including the development of new catalysts or drugs. Given the difficult…
Much recent research aims to identify evidence for Drug-Drug Interactions (DDI) and Adverse Drug reactions (ADR) from the biomedical scientific literature. In addition to this "Bibliome", the universe of social media provides a very promising source of large-scale data that can help identify DDI and ADR in ways that ha…
The use of drug combinations often leads to polypharmacy side effects (POSE). A recent method formulates POSE prediction as a link prediction problem on a graph of drugs and proteins, and solves it with Graph Convolutional Networks (GCNs). However, due to the complex relationships in POSE, this method has high computat…
Improved anti-cancer drug sensitivity prediction using REFINED CNN ensemble learning.
problem Challenges in predicting anti-cancer drug sensitivity for individual cell lines.
method Using REFINED CNN, which represents high-dimensional vectors as compact 2D images with spatial correlations, and building ensembles of these models.
result Ensemble approaches significantly improve drug sensitivity prediction performance compared to single models.
Surrogate-based analysis of interactions via local effect smooths
problem Detecting and characterizing feature interactions in machine learning models
method Surrogate-based analysis using generalized additive models
result Empirical validation of effectiveness for pairwise interactions
Factorization Machine (FM) is a widely used supervised learning approach by effectively modeling of feature interactions. Despite the successful application of FM and its many deep learning variants, treating every feature interaction fairly may degrade the performance. For example, the interactions of a useless featur…
A new method detects interactions in neural networks using topological analysis.
problem Detecting interactions between input features in neural networks.
method Topological analysis of neural network connectivity to quantify interaction strength.
result The PID algorithm outperforms state-of-the-art baselines in interaction detection tasks.
iKF method uncovers complex variable interactions for scientific discovery.
problem Limited interpretability of existing models in decision-making applications.
method Iterative Kings' Forests (iKF) method to uncover multi-order interactions.
result iKF provides strong interpretive power for explainable modeling.
A graph neural network detects beneficial feature interactions for recommender systems.
problem Feature interactions are crucial but not all are beneficial for recommendation accuracy.
method Graph neural network with L0 activation regularization for edge prediction.
result The model outperforms baselines and automatically identifies beneficial feature interactions.
Inference of time-ordered multibody interactionsphysics.soc-ph
We describe and extract time-ordered multibody interactions from complex systems.
problem Complex systems with temporal and multibody dependencies.
method Decompose multivariate Markov chains into time-ordered multibody interactions. Algorithm to extract interactions from data. Measure complexity of interaction ensembles.
result Robust and efficient algorithm to infer time-ordered multibody interactions from data.
Dropout regularizes against high-order interactions by canceling interaction rates.
problem Overfitting to high-order interactions in neural networks.
method Analyzes Dropout through the lens of interaction effects, showing how it effectively cancels out the probability of surviving interactions of different orders.
result Dropout regularizes against high-order interactions by effectively canceling out the probability of surviving interactions of different orders.
Understanding how features interact with each other is of paramount importance in many scientific discoveries and contemporary applications. Yet interaction identification becomes challenging even for a moderate number of covariates. In this paper, we suggest an efficient and flexible procedure, called the interaction …
Multitask Gaussian process (MTGP) is powerful for joint learning of multiple tasks with complicated correlation patterns. However, due to the assembling of additive independent latent functions, all current MTGPs including the salient linear model of coregionalization (LMC) and convolution frameworks cannot effectively…
SocialInteractionGAN generates realistic human interactions from low-dimensional data.
problem Generating realistic human interactions from limited data.
method Adversarial architecture with a recurrent encoder-decoder generator and dual-stream discriminator.
result SocialInteractionGAN produces high-quality action sequences of interacting people.
A new method detects interactions in machine learning models.
problem Interpreting non-linear and interaction effects in machine learning models.
method Regional effect plots with implicit interaction detection.
result The method quantifies and interprets feature effects reliably, less confounded by interactions.
xDeepInt learns both vector-wise and bit-wise feature interactions.
problem Learning feature interactions for CTR prediction and recommendation.
method Polynomial Interaction Network (PIN) architecture with subspace-crossing mechanism.
result xDeepInt outperforms state-of-the-art models in CTR prediction and recommendation.
Joint Interaction and Trajectory Prediction for Autonomous Driving using Graph Neural Networksstat.ML
In this work, we aim to predict the future motion of vehicles in a traffic scene by explicitly modeling their pairwise interactions. Specifically, we propose a graph neural network that jointly predicts the discrete interaction modes and 5-second future trajectories for all agents in the scene. Our model infers an inte…
A new drug embedding method using hierarchical drug relations and chemical structures.
problem Learning accurate drug representations from chemical structures and hierarchies.
method Semi-supervised drug embedding using VAE in hyperbolic space.
result The method accurately places drugs in a hierarchy and predicts side-effects.
InteractE: Improving Convolution-based Knowledge Graph Embeddings by Increasing Feature Interactionscs.LG
Most existing knowledge graphs suffer from incompleteness, which can be alleviated by inferring missing links based on known facts. One popular way to accomplish this is to generate low-dimensional embeddings of entities and relations, and use these to make inferences. ConvE, a recently proposed approach, applies convo…
This study explores how feature graphs enhance GNNs' performance in modeling interactions.
problem Improving GNNs' ability to model feature interactions effectively.
method Investigates feature graphs and their importance in GNNs, using experiments and theoretical support.
result Edges between interacting features are crucial for GNNs, while non-interaction edges can degrade performance.
Interpreting neural networks is a crucial and challenging task in machine learning. In this paper, we develop a novel framework for detecting statistical interactions captured by a feedforward multilayer neural network by directly interpreting its learned weights. Depending on the desired interactions, our method can a…
We introduce interactive structure discovery, a generic framework that encompasses many interactive learning settings, including active learning, top-k item identification, interactive drug discovery, and others. We adapt a recently developed active learning algorithm of Tosh and Dasgupta (2017) for interactive structu…
Paper introduces IC-index to evaluate interaction prediction methods.
problem Evaluate interaction prediction methods using IC-index.
method IC-index measures interaction direction prediction performance.
result IC-index complements existing prediction performance estimators.
This paper uses Gaussian mixtures to mimic interactions in large language models.
problem Simulating interactions in large language models (LLMs) is computationally expensive.
method Developed an interacting Gaussian mixture model (GMM) system to mimic LLM interactions.
result The interacting Gaussian mixture model system can generate, exchange, and update data and parameters efficiently.
Study reveals self-attention's role in learning and generalizing interactions.
problem Understanding self-attention's theoretical role in neural architectures.
method Interacting entities analysis, including multi-agent RL and genetic sequences.
result Self-attention efficiently represents, learns, and generalizes pairwise interactions.
Archipelago provides interpretable explanations of feature interactions in machine learning models.
problem Interpreting the impact of feature interactions on predictions in machine learning models.
method Archipelago is a novel framework for extracting and attributing feature interactions in a scalable and interpretable manner.
result Archipelago provides significantly more interpretable explanations of feature interactions than comparable methods.
Automated tests detect interactions in unstructured data.
problem Detecting interactions between latent variables in low-dimensional systems.
method Derive two interaction tests based on pairwise interventions and integrate them into an active learning pipeline.
result Tests can identify more known biological interactions than random search and standard active learning baselines.