Interactive learning framework for various settings.
problem Various interactive learning settings.
method Adapted active learning algorithm for interactive structure discovery.
result Noise-tolerant algorithm with favorable query complexity.
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.
Diamond method controls FDR for trustworthy feature interaction discovery in ML models.
problem Limited interpretability of ML models due to black box nature.
method Diamond method integrates model-X knockoffs framework to control FDR for non-additive interactions.
result Diamond method ensures accurate discovery of feature interactions with FDR control.
CardiGraphormer uses SSL and GNNs to improve drug discovery.
problem Challenges in drug discovery due to combinatorial chemical space and limited approved drugs.
method Combines self-supervised learning, Graph Neural Networks, and Cardinality Preserving Attention.
result Enhanced predictive performance and interpretability in drug discovery.
Kernel trick speeds up Bayesian interaction discovery.
problem Discovering interaction effects in high-dimensional data.
method Gaussian process representation and MCMC over hyper-parameters.
result Significant reduction in runtime and improved error rates.
Proposes a multi-view architecture for drug-target interaction prediction.
problem Representing compound-target pairs in deep learning models.
method Integrates differentiable and predefined molecular descriptors using an adversarial multi-view architecture.
result Demonstrates potential of the proposed approach on clinically relevant datasets.
DAG-FM discovers causal relationships from heterogeneous data.
problem Challenges in causal discovery from heterogeneous causal mechanisms.
method DAG-FM uses two specialized Transformer-based sub-modules and a robust tabular interaction block to model complex row-column interactions.
result DAG-FM achieves state-of-the-art performance on synthetic and real-world datasets.
ACS is an interactive framework for model-free selection with guaranteed error control.
problem Model-free selection with rigorous error control.
method Adaptive conformal selection with human-in-the-loop data exploration and new information incorporation.
result ACS provides concrete selection algorithms for various goals, including model update/selection, diversified selection, and incorporating new data.
New method aggregates bootstrapped DAGs for causal discovery.
problem Aggregation of bootstrapped DAGs ignores higher-order structures.
method Theoretical framework and new DAG aggregation algorithm.
result Proposed method outperforms state-of-the-art solutions.
Neural interaction discoveries can be real or artifacts of model flexibility.
problem Identifying real neural interactions from data.
method Using a multiplicative-gating extension of neural additive vector autoregression.
result Effective rank of the joint lag-block covariance predicts interaction recoverability.
This paper tackles causal interactions in mixtures of DAGs using interventions.
problem Learning causal interactions among variables governed by a mixture of causal systems.
method Establishes necessary and sufficient conditions for intervention size, designs an adaptive algorithm.
result Identifies true edges in a mixture of DAGs using optimal or near-optimal interventions.
Model discovers causal relationships from video data of physical systems.
problem Discover structural dependencies and causal interactions in physical systems from video data.
method End-to-end model with perception, inference, and dynamics modules; handles unknown interventions.
result Model correctly identifies causal interactions and makes long-term predictions.
Proposes a self-attention-based method for drug-target interaction prediction.
problem Interpreting machine learning models for drug-target interactions.
method Self-attention-based multi-view representation learning approach.
result Competitive prediction performance with biologically interpretable results.
Visualizes deep generative models for drug design.
problem Limited visualization tools for deep generative models in drug discovery.
method Proposes a visualization framework for deep graph generative models.
result Interactive visualization and molecular optimization tools.
iCITRIS learns causal variables from interactive systems with instantaneous effects.
problem Identifying causal variables from temporal sequences with instantaneous effects.
method iCITRIS method for causal representation learning that handles instantaneous effects in intervened temporal sequences.
result iCITRIS accurately identifies causal variables and their causal graph from three interactive system datasets.
A framework detects nonlinear and interaction effects in epidemiological data with uncertainty quantification.
problem Lack of reliable inference for ML-discovered nonlinearities and interactions in epidemiological data.
method Combines Bayesian sparse regression, tree ensembles, and Shapley values.
result Valid uncertainty quantification for feature effects at the individual level.
Review of automation's role in chemical discovery, emphasizing future challenges.
problem Improving automation's contribution to chemical discovery.
method Analysis of exemplary studies and open research directions.
result Future autonomous systems need improvement in data handling, model building, and experiment automation.
Graph-augmented CNN predicts drug interactions with high accuracy.
problem Predicting drug-drug interactions (DDIs) with high accuracy.
method Combining graph CNN with an attentive pooling network to extract structural relations between drug pairs.
result Desirable performance with ROC 0.988, F1-score 0.956, and AUPR 0.986.
New DTI model using self-attention molecule representation outperforms state-of-the-art.
problem Predicting drug-target interactions to reduce costs and improve personalized medicine.
method Proposes a new molecule representation using self-attention and a new DTI model.
result Our DTI model outperforms state-of-the-art by up to 4.9% points in precision-recall.
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 …
Develops a new method to discover causal relationships from nonstationary time series data.
problem Challenges in inferring causal relationships from observational data, especially for nonstationary time series.
method State-Dependent Causal Inference (SDCI) for conditionally stationary time series.
result SDCI can recover underlying causal dependencies with provable identifiability for state-dependent causal structures.
Algorithm improves query recommendations with immediate user feedback.
problem Lack of adaptability to immediate user feedback in query recommendation algorithms.
method Augmented transformer-based causal language models with multi-armed bandit framework.
result Substantial improvement in per-round regret compared to state-of-the-art models.
We characterize distributional equivalence in latent-variable models with cycles.
problem Lack of an equivalence characterization for latent-variable causal models with cycles.
method Established graphical criterion for distributional equivalence and developed edge rank constraints.
result First equivalence characterization without structural assumptions for latent-variable models with cycles.
HiGraphDTI learns drug and target representations from molecular graphs to predict DTIs.
problem Inaccurate drug-target interaction prediction due to insufficient chemical information extraction.
method Hierarchical graph representation learning to extract chemical information from atoms, motifs, and molecules.
result HiGraphDTI outperforms state-of-the-art methods in DTI prediction and interaction interpretation.
Proposes a two-stage method for testing variable interactions with FDR control.
problem Testing pairwise interactions in high-dimensional data with dependence.
method Two-stage testing procedure with FDR control using Cramér type moderate deviation technique.
result The proposed method controls FDR and has comparable or improved statistical power.
CausalGame benchmarks LLM agents' causal thinking in games.
problem Evaluating causal thinking in AI Scientists with LLMs.
method Interactive games with 14 scenarios incorporating selection bias, measurement error, and hidden confounders.
result None of the 30 LLM agents demonstrated reliable causal thinking, with the best model achieving only 68.0% survival.
We quantify content availability and user discovery opportunities in recommender systems.
problem Determining the maximum probability of recommending content to users.
method Stochastic reachability to compute upper bounds on recommendation likelihood.
result Reachability metrics can detect biases and diagnose user discovery limitations.
New method uses information theory to uncover causal relationships in complex systems.
problem Discovering causal relationships in multivariate systems, especially in Bayesian networks and hypergraphs.
method Partial Information Decomposition (PID) to explicitly model higher-order interactions.
result PID components reveal direct causal neighbors and collider relationships in Bayesian networks and multi-tail hyperedges in causal hypergraphs.
Develops algorithm to find subgroups with different treatment effects in HIV patients.
problem Estimating treatment effects in EHR data with challenges like time-varying confounding.
method SDLD algorithm combining generalized interaction tree and longitudinal targeted maximum likelihood estimation.
result Identifies subgroups of HIV patients at higher risk of weight gain with dolutegravir-containing ARTs.
High-frequency traders can act as either small informed traders or round-trippers, affecting price discovery and liquidity.
problem Effects of high-frequency trading on price discovery and liquidity.
method Extended Kyle's model with interactions between large informed traders and high-frequency traders.
result High-frequency traders can act as Small-IT or Round-Tripper, impacting price discovery and liquidity.
To date, testing interactions in high dimensions has been a challenging task. Existing methods often have issues with sensitivity to modeling assumptions and heavily asymptotic nominal p-values. To help alleviate these issues, we propose a permutation-based method for testing marginal interactions with a binary respons…
New tests detect high-order interactions without permutations.
problem Scalability issues in kernel-based tests for high-order interactions.
method Permutation-free high-order tests using V-statistics and cross-centring.
result Tests yield standard normal distribution under null hypothesis.
DeepPurpose simplifies DL for DTI prediction.
problem Accurate prediction of drug-target interactions.
method Comprehensive deep learning library with 15 compound and protein encoders and 50 neural architectures.
result State-of-the-art performance on benchmark datasets.
Protein Thoughts interprets protein interactions with clear reasoning, improving prediction accuracy.
problem Lack of mechanistic justification in protein-protein interaction predictions.
method Interpretable search problem reformulation, hypothesis-guided entropy-regularized Tree-of-Thoughts search, embedding-space flow matching.
result Improves mean best-binder rank from 47.7 to 11.2 on SHS148k benchmark.
Motivation: Cell-biological processes are regulated through a complex network of interactions between genes and their products. The processes, their activating conditions, and the associated transcriptional responses are often unknown. Organism-wide modeling of network activation can reveal unique and shared mechanisms…
New methods for scalable causal discovery from complex data.
problem Learning causal structures from nonlinear, continuous or mixed data.
method BF-BIC score and BF-LRT test for scalable causal discovery.
result BF-BIC score and BF-LRT test enable scalable causal discovery with competitive accuracy and runtime.
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.
Proposes a weaker faithfulness assumption for causal discovery.
problem Violation of the faithfulness assumption in causal discovery.
method Proposes a new assumption called 2-adjacency faithfulness and a modified Grow and Shrink algorithm.
result Proves the correctness of the modified algorithm under weaker assumptions.
New method controls false discoveries in structured hypothesis spaces.
problem Controlling false discoveries in large-scale, interconnected hypothesis spaces.
method Reproducing Kernel Hilbert Space (RKHS) optimization for structured FDR control.
result Unified framework for continuous domains, graphs, and hierarchies.
Wavelets model complex interactions in spatial transcriptomics.
problem Capturing higher-order relationships in spatial transcriptomics data.
method Hypergraph diffusion wavelets for representing hyperedges.
result Wavelets effectively represent disease-relevant cellular niches in Alzheimer's disease.
New method uncovers hidden causal connections in multivariate point process networks.
problem Unobserved hidden variables confound causal discovery in high-dimensional point process networks.
method Proposes a deconfounding procedure to estimate causal interactions among observed nodes with unknown unobserved processes.
result The method accurately identifies causal interactions among observed processes, even with hidden variables.
SDAMI enhances interpretable high-dimensional regression with sparse deep learning and footprint principle.
problem Personalized models for small samples and high-dimensional features with interpretability.
method Sparse Deep Additive Model with Interactions (SDAMI) combining sparsity-driven feature selection and deep subnetworks.
result SDAMI successfully identifies pure interactions with near-zero false positive rates.
Background: Predictive, stable and interpretable gene signatures are generally seen as an important step towards a better personalized medicine. During the last decade various methods have been proposed for that purpose. However, one important obstacle for making gene signatures a standard tool in clinics is the typica…
A new method quickly identifies key variables and interactions.
problem Identifying key variables and interactions in high-dimensional data.
method Kernel trick for sparse orthogonal decomposition in O(# covariates) time.
result Outperforms existing methods for large, high-dimensional data sets.
This study compares price discovery in ETH and BTC markets between centralized and decentralized exchanges.
problem Understanding price discovery dynamics in cryptocurrency markets.
method Comparative analysis of centralized and decentralized exchanges, using econometric tools.
result Centralized exchanges lead in ETH price discovery, while futures markets lead in BTC.
Study shows informed traders harm market makers but price discovery benefits outweigh costs.
problem Informed traders' impact on market makers' profitability.
method Agent-based model with heterogeneous learning agents, multi-agent reinforcement learning.
result Informed market order flow is harmful when aggregate informedness is low but beneficial as it increases.
Study examines lead-lag relationships between VIX and VIX futures markets over time.
problem Understanding dynamic interaction patterns between VIX and VIX futures markets.
method Utilized the symmetric thermal optimal path (TOPS) method to analyze time-dependent lead-lag relationships.
result Observed alternate lead-lag relationship instead of dominance between VIX and VIX futures markets.
PliableBVS extends Bayesian lasso for modeling interactions with modifying variables.
problem Modeling interactions between large and small sets of variables, especially in omics studies.
method Bayesian variable selection with spike-and-slab priors and hierarchical structure.
result PliableBVS outperforms pliable lasso in identifying active main and interaction effects.