The paper improves experimental design by weighting diversity metrics with quality, leading to more diverse and effective discoveries.
problem Existing experimental design techniques favor exploitation over exploration, leading to local optima and insufficient diversity.
method The paper extends Vendi scores to account for quality and applies them to various experimental design problems.
result Quality-weighted Vendi scores allow for better balance between quality and diversity, resulting in 70%-170% more effective discoveries.
ACE improves GFlowNet exploration efficiency by balancing complementary search strategies.
problem Efficient exploration of diverse high-probability regions in GFlowNets.
method Adaptive Complementary Exploration (ACE) trains a separate GFlowNet to search underexplored regions.
result Significantly improves approximation accuracy and diverse state discovery.
TimeGraph creates synthetic datasets for robust time-series causal discovery.
problem Lack of reliable synthetic benchmark datasets for robust time-series causal discovery.
method Developed comprehensive synthetic datasets with temporal properties, including trends, seasonality, and noise.
result Demonstrated significant variations in algorithm performance under realistic temporal conditions.
Generating molecules with desired chemical properties is important for drug discovery. The use of generative neural networks is promising for this task. However, from visual inspection, it often appears that generated samples lack diversity. In this paper, we quantify this internal chemical diversity, and we raise the …
Agent learns diverse hierarchical structures in unknown environments.
problem Autonomous discovery and learning of diverse structures in unknown changing environments.
method Progressive construction of a Hierarchy of Observation Latent Models for Exploration Stratification (HOLMES).
result Agent can learn and reuse representations to progressively explore and discover diverse structures.
This paper introduces a new system for discovering patterns in morphogenetic systems using modular architecture and unsupervised learning.
problem Discovering novel patterns in morphogenetic systems is challenging and often relies on manual tuning.
method Introduces a hierarchical, modular architecture for unsupervised learning of diverse representations combined with goal exploration algorithms.
result The new system efficiently adapts diversity search towards user preferences with minimal feedback.
This work improves molecular design by efficiently selecting diverse candidate molecules.
problem Designing molecules that satisfy multiple conflicting objectives.
method A modular 'generate-then-optimize' framework using generative models and a novel acquisition function.
result Significant improvements in sample efficiency across synthetic and application-driven tasks.
KEEL improves causal discovery with fuzzy knowledge and complex data.
problem Challenges in causal discovery due to prior knowledge, domain inconsistencies, and small sample sizes.
method Weakly-supervised fuzzy knowledge and data co-driven causal discovery method (KEEL).
result KEEL outperforms state-of-the-art methods in accuracy, robustness, and computational efficiency.
In many complex dynamical systems, artificial or natural, one can observe self-organization of patterns emerging from local rules. Cellular automata, like the Game of Life (GOL), have been widely used as abstract models enabling the study of various aspects of self-organization and morphogenesis, such as the emergence …
In many real-world AD applications including computer security and fraud prevention, the anomaly detector must be configurable by the human analyst to minimize the effort on false positives. One important way to configure the detector is by providing true labels (nominal or anomaly) for a few instances. Recent work on …
DiffATD efficiently discovers targets in partially observable environments using diffusion dynamics.
problem Efficiently discovering targets in partially observable environments with limited sampling.
method DiffATD uses diffusion dynamics to maintain a belief distribution over unobserved states, balancing exploration and exploitation.
result DiffATD outperforms baselines and supervised methods in diverse domains.
Conventionally, model-based reinforcement learning (MBRL) aims to learn a global model for the dynamics of the environment. A good model can potentially enable planning algorithms to generate a large variety of behaviors and solve diverse tasks. However, learning an accurate model for complex dynamical systems is diffi…
Discovering the causal structure among a set of variables is a fundamental problem in many areas of science. In this paper, we propose Kernel Conditional Deviance for Causal Inference (KCDC) a fully nonparametric causal discovery method based on purely observational data. From a novel interpretation of the notion of as…
We propose a novel framework to identify sub-goals useful for exploration in sequential decision making tasks under partial observability. We utilize the variational intrinsic control framework (Gregor et.al., 2016) which maximizes empowerment -- the ability to reliably reach a diverse set of states and show how to ide…
The last decade has seen a flurry of research on all-pairs-similarity-search (or, self-join) for text, DNA, and a handful of other datatypes, and these systems have been applied to many diverse data mining problems. Surprisingly, however, little progress has been made on addressing this problem for time series subseque…
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.
Paper proposes an efficient causal discovery method with linear computational complexity.
problem Identifying causal relationships efficiently in large datasets.
method Approximate kernel-based generalized score function with low-rank technique and sampling algorithms.
result Significantly reduces computational costs while maintaining comparable accuracy.
CausalRivers benchmarks causal discovery methods on real-world river discharge data.
problem Lack of in-the-wild evaluation of causal discovery methods on complex, real-world data.
method Introduces CausalRivers, a large-scale dataset of river discharge data for benchmarking.
result Demonstrates the utility of CausalRivers in evaluating causal discovery methods.
CDFM aims to unify causal discovery across diverse datasets.
problem Fragmented, test-driven causal discovery approaches struggle with modern data heterogeneity.
method CDFM is a unified, general-purpose framework using a variational decomposition of causal mechanisms.
result CDFM outperforms traditional algorithms across diverse datasets.
Unsupervised exploration and representation learning become increasingly important when learning in diverse and sparse environments. The information-theoretic principle of empowerment formalizes an unsupervised exploration objective through an agent trying to maximize its influence on the future states of its environme…
The discovery of time series motifs has emerged as one of the most useful primitives in time series data mining. Researchers have shown its utility for exploratory data mining, summarization, visualization, segmentation, classification, clustering, and rule discovery. Although there has been more than a decade of exten…
New method for causal discovery using peeling algorithms for various data types.
problem Challenges in causal discovery due to unmeasured confounders.
method Two peeling algorithms (bottom-up and top-down) for causal discovery with generalized structural equation models.
result Valid discovery of causal relationships and parent-child effects in diverse data types.
Forest Fire Clustering discovers cell types from single-cell data.
problem Discovering cell types from large-scale single-cell sequencing data.
method Iterative label propagation and parallelized Monte Carlo simulation.
result Forest Fire Clustering outperforms state-of-the-art methods on diverse benchmarks.
Since time immemorial, people have been looking for ways to organize scientific knowledge into some systems to facilitate search and discovery of new ideas. The problem was partially solved in the pre-Internet era using library classifications, but nowadays it is nearly impossible to classify all scientific and popular…
New method discovers causal relationships in complex time series data.
problem Discovering causal relationships in multivariate time series is challenging.
method Temporal Dependency to Causality (TD2C) framework using mutual information.
result TD2C achieves state-of-the-art performance in causal discovery.
We study how to leverage off-the-shelf visual and linguistic data to cope with out-of-vocabulary answers in visual question answering task. Existing large-scale visual datasets with annotations such as image class labels, bounding boxes and region descriptions are good sources for learning rich and diverse visual conce…
New method discovers causal models from mixed time series data.
problem Discovering causal relationships from heterogeneous time series data.
method Variational inference-based framework MCD for linear and nonlinear causal models.
result Method outperforms state-of-the-art benchmarks in causal discovery tasks.
Enhances FDR control in variable selection using neural networks.
problem Balancing rigorous error control with statistical power in high-dimensional variable selection.
method Learning-augmented T-Rex Selector framework with a neural network trained on synthetic datasets.
result Achieves superior detection of true variables compared to existing approaches.
MEC-IP uses IP to efficiently find MECs in BNs from observational data.
problem Discovering Markov Equivalent Classes (MECs) in Bayesian Networks (BNs) efficiently.
method Clique-focusing strategy and EMSG for MEC discovery via Integer Programming.
result Significant reduction in computational time and improved accuracy.
Search queries are appropriate when users have explicit intent, but they perform poorly when the intent is difficult to express or if the user is simply looking to be inspired. Visual browsing systems allow e-commerce platforms to address these scenarios while offering the user an engaging shopping experience. Here we …
Alpha2 discovers logical formulaic alphas using deep reinforcement learning.
problem Discovering interpretable formulaic alphas for better trading strategies.
method Formulating alpha discovery as program construction, using deep reinforcement learning to navigate the search space.
result Empirical experiments show Alpha2 identifies diverse, logical, and effective alphas improving trading strategy performance.
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.
Quantifying the value of data is a fundamental problem in machine learning. Data valuation has multiple important use cases: (1) building insights about the learning task, (2) domain adaptation, (3) corrupted sample discovery, and (4) robust learning. To adaptively learn data values jointly with the target task predict…
Designing a single neural network architecture that performs competitively across a range of molecule property prediction tasks remains largely an open challenge, and its solution may unlock a widespread use of deep learning in the drug discovery industry. To move towards this goal, we propose Molecule Attention Transf…
DECI combines causal discovery and inference in a single model for diverse data types.
problem Combining causal discovery and inference methods for diverse data types.
method Develops a single flow-based non-linear additive noise model (DECI) for causal discovery and inference.
result DECI can recover ground truth causal graphs and perform (C)ATE estimation.
The paper improves recommendation systems by ensuring their outputs are reliable.
problem Recommendation systems often lack reliability guarantees for their outputs.
method The method uses a pre-trained ranking model to create a set of items with rigorous FDR control.
result The approach provides a way to guarantee the reliability of recommendation outputs.
Proposes MOGFNs for generating diverse Pareto optimal solutions in multi-objective optimization.
problem Generating diverse candidates in multi-objective optimization with conflicting objectives.
method Introduces MOGFNs based on GFlowNets, with two variants: MOGFN-PC and MOGFN-AL.
result Improved candidate diversity compared to existing methods.
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.
EGR refines and assesses protein complex structures.
problem Improving the accuracy of protein complex 3D structures for drug discovery.
method E(3)-equivariant graph neural network (GNN) for multi-task refinement and assessment.
result EGR achieves state-of-the-art performance in refining and assessing protein complexes.
MKL-based models outperform complex multi-omics integrative approaches.
problem Integrating diverse omics data sources.
method Supervised multiple kernel learning with different kernel fusion strategies.
result MKL-based models outperform more complex architectures.
GaussDetect-LiNGAM eliminates Gaussianity tests for causal discovery.
problem Causal direction identification without Gaussianity assumptions.
method Leverages the equivalence between noise Gaussianity and residual independence in reverse regression.
result Gaussianity tests replaced with robust kernel-based independence tests.
A model learns causal graphs from summary statistics of synthetic data.
problem Causal discovery algorithms are brittle with large sets of variables and limited data.
method A supervised model trained on synthetic data predicts causal graphs from summary statistics.
result The model generalizes well beyond its training set and runs on large graphs.
New estimator improves mutual information estimation.
problem Estimating mutual information in data science and machine learning.
method Proposes a new estimator that uses a preliminary estimate of the data distribution.
result A preliminary estimate helps in estimating mutual information more accurately.
Acquiring abilities in the absence of a task-oriented reward function is at the frontier of reinforcement learning research. This problem has been studied through the lens of empowerment, which draws a connection between option discovery and information theory. Information-theoretic skill discovery methods have garnere…
New method recovers diverse policies from expert data using state-action pair weighting.
problem Recovering diverse policies from expert trajectories.
method Pointwise mutual information weighted behavioral cloning.
result Effective in focusing on state-action pairs most representative of the style.
AI aids in mathematics research and problem-solving.
problem Complex mathematical problems and discoveries.
method Explains AI principles and diverse applications in math.
result AI assists in discovering patterns, proving theorems, and challenging conjectures.
fedCI and fedCI-IOD enable federated causal discovery across diverse datasets with privacy and power enhancements.
problem Causal discovery across multiple datasets with privacy constraints and heterogeneity.
method federated conditional independence test (fedCI) and Integration of Overlapping Datasets (IOD) algorithm extension (fedCI-IOD).
result fedCI-IOD achieves comparable performance to fully pooled analyses, enhancing statistical power and privacy.
Unified kernel-based methods improve nonlinear causal discovery.
problem Identifying nonlinear causal relationships between time series variables.
method Unified Kernel Principal Component Regression (KPCR) and Gaussian Process score-based model with Smooth Information Criterion.
result Improved performance in time series nonlinear causal discovery.