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.
Framework evaluates AI proposals for drug discovery, finds no LLM advantage.
problem No principled framework exists for evaluating AI-guided scientific selection under budget constraints.
method Formally verified metric (BSDS/DQS) penalizes false discoveries and excessive abstention.
result LLMs provide no marginal value over existing classifiers in drug discovery.
Proposes mCS for multivariate selection with FDR control.
problem Selecting high-quality candidates from multivariate datasets.
method Introduces regional monotonicity and multivariate nonconformity scores.
result Significantly improves selection power with FDR control.
The paper establishes bounds for score-matching in causal discovery and generative modeling.
problem Estimating causal relationships from data.
method Training a deep neural network to estimate the score function and applying it to causal discovery.
result Bounds on the error rate of causal discovery methods using score-matching.
Unified framework uses all data to improve multiple testing efficiency.
problem Improving predictive uncertainty control in decision-making.
method Uses all available data (null, alternative, unlabelled) for score construction and calibration.
result Significantly improves power and adaptability across diverse scenarios.
New method recovers causal graphs from data scores in non-linear models.
problem Recovering causal graphs from data scores in non-linear models.
method Score matching algorithms and efficient Jacobian approximation.
result New method, SCORE, is competitive and faster than state-of-the-art methods.
We use the score function for causal discovery, tackling challenges with hidden variables.
problem Causal discovery from observational data with hidden variables.
method Fine-tuning identifiability results, establishing conditions for inferring causal relations from the score, proposing a flexible algorithm.
result Empirical validation of the proposed algorithm for causal discovery on linear, nonlinear, and latent variable models.
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.
New method combines gradient optimization with constraint-based techniques for causal discovery.
problem Causal discovery from observational data, especially with small sample sizes.
method Differentiable d-separation scores using percolation theory and soft logic for gradient-based optimization of conditional independence constraints. result Empirical evaluations show robust performance in low-sample regimes, surpassing traditional methods.
TF-MoDISco (Transcription Factor Motif Discovery from Importance Scores) is an algorithm for identifying motifs from basepair-level importance scores computed on genomic sequence data. This technical note focuses on version v0.5.6.5. The implementation is available at https://github.com/kundajelab/tfmodisco/tree/v0.5.6…
FLOP algorithm speeds up causal structure learning for linear models.
problem Efficiently learning causal structures from discrete data.
method FLOP algorithm combines fast parent selection and iterative score updates.
result FLOP finds highly accurate causal structures with near-perfect recovery.
New algorithm discovers causal graphs efficiently from observational data.
problem Discovering causal graphs from observational data efficiently.
method Approximating the score function using machine learning and applying scalable techniques.
result DAS algorithm reduces complexity and achieves competitive accuracy.
The study analyzes and mitigates errors in PC-based causal discovery methods.
problem Errors in PC-based causal discovery methods can lead to incorrect graphs.
method The study introduces coherency scores to detect assumption violations and small sample errors in PC-based methods.
result The coherency scores can detect errors that other methods cannot, bridging between global and local error detection.
The study examines causal razors and their logical relations, highlighting a dilemma in causal discovery.
problem Selecting a reasonable scoring criterion for causal discovery algorithms.
method Review and logical comparison of numerous causal razors, focusing on parameter minimality in multinomial models.
result Parameter minimality poses a dilemma in selecting a reasonable scoring criterion for causal discovery algorithms.
The paper integrates statistical significance and discriminative power in pattern discovery.
problem Discovering actionable patterns that meet rigorous statistical significance and discriminative power criteria.
method Integrates statistical significance and discriminative power criteria into state-of-the-art algorithms.
result Improves discriminative power and statistical significance of discovered patterns without quality deterioration.
Three RFF-based methods for nonlinear causal discovery in mixed data.
problem Nonlinear causal discovery in mixed data with computational constraints.
method FFML, TRFF, and FFCI methods for score-based, constraint-based, and hybrid causal discovery.
result FFML and TRFF methods provide complementary performance in causal discovery.
Nonparametric IPSS selects features with false discovery control.
problem Feature selection in high-dimensional data with theoretical false discovery control.
method Integrated Path Stability Selection (IPSS) applied to nonparametric feature importance scores.
result IPSS accurately controls false discovery rate and detects more true positives than existing methods.
New method scores DAGs by identifying unobserved confounding.
problem Unobserved confounding complicates causal discovery.
method Score-based causal discovery algorithm that accounts for unobserved confounding.
result Sparse linear Gaussian DAGs can be recovered from observed data.
A new method uses LLMs to discover causal pathways that affect fairness in machine learning.
problem Discovering fairness-relevant causal pathways in the presence of noise and confounding.
method Hybrid LLM-guided causal discovery framework combining active learning and dynamic scoring.
result LLM-guided methods, including the proposed active, dynamically scored variant, outperform baselines in recovering fairness-relevant structure under noisy conditions.
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.
Few-step protein backbone generators reduce sampling time by over 20x.
problem Computational bottleneck in diffusion-based protein generation models.
method Score distillation adapted for protein backbone generation, combined with inference time noise modulation.
result Significant reduction in sampling time (20+ fold) while maintaining comparable performance.
We are concerned with the discovery of hierarchical relationships from large-scale unstructured similarity scores. For this purpose, we study different models of hyperbolic space and find that learning embeddings in the Lorentz model is substantially more efficient than in the Poincaré-ball model. We show that the prop…
New algorithm speeds up causal discovery for network data.
problem Scalability issues in score-matching for temporal network data.
method Developed a new parent-finding subroutine for DAGs, improving score matching efficiency.
result Efficiency-lifted score matching for both i.i.d. and temporal data on networks.
With the rapid growth of crowdsourcing platforms it has become easy and relatively inexpensive to collect a dataset labeled by multiple annotators in a short time. However due to the lack of control over the quality of the annotators, some abnormal annotators may be affected by position bias which can potentially degra…
SCoRE provides risk control for selective prediction models.
problem Enforcing strict error control in selective prediction models.
method SCoRE framework based on conformal inference and hypothesis testing.
result SCoRE offers binary trust decisions with finite-sample error control.
Proposes LLM-DCD for improved causal discovery from data.
problem Challenges in discovering causal relationships from observational data.
method Uses LLM to initialize DCD optimization, incorporating priors.
result Higher accuracy on benchmark datasets compared to state-of-the-art.
This study examines ensembling of diffusion models for improved generative quality.
problem Improving generative quality with ensembling of score-based diffusion models.
method Investigated ensembling of scores from multiple diffusion models on image and tabular data.
result Ensembling scores generally improves model likelihood and score-matching loss but not perceptual quality metrics.
Efficiently searches ancestral graphs using multivariate information.
problem Discovering causal relationships in graphs with latent variables.
method Greedy search-and-score algorithm with two-step approach.
result Outperforms existing methods on benchmark datasets.
New method uniquely identifies causal structure from ordinal data.
problem Challenges in causal discovery for categorical data, especially direction of relationships.
method Exploits ordinal information to uniquely identify causal structure.
result Favorable and robust performance compared to state-of-the-art methods.
dcFCI discovers causal relationships robustly under latent confounding and mixed data.
problem Causal discovery under latent confounding and unfaithfulness.
method dcFCI integrates a new score to assess PAG compatibility, guided by FCI search.
result Significantly outperforms state-of-the-art methods in small and heterogeneous datasets.
ERP improves drug discovery by balancing molecule generation quality and efficiency.
problem Generating valid and optimal molecules from large language models.
method Entropy-Reinforced Planning (ERP) for Transformer Decoding.
result ERP outperforms current state-of-the-art algorithms by 1-5 percent on SARS-CoV-2 and human cancer cell targets.
Accelerates data generation in score-based models.
problem Slow generation of realistic data by score-based models.
method Developed an adaptive step size SDE solver.
result Generates data 2-10 times faster with high quality.
Decentralized detection avoids sharing data, controls false discoveries.
problem Global false discovery rate control in decentralized novelty detection.
method Quantized surrogate models for low-precision sharing, preserving exchangeability.
result Quantized composite scores maintain competitive statistical power with reduced communication.
We propose a training method for deep neural network (DNN)-based source enhancement to increase objective sound quality assessment (OSQA) scores such as the perceptual evaluation of speech quality (PESQ). In many conventional studies, DNNs have been used as a mapping function to estimate time-frequency masks and traine…
Stabilizes training of DNN for speech enhancement using PESQ scores.
problem Stability issues in training DNNs using non-differentiable OSQA scores.
method Approximate OSQA scores with a differentiable auxiliary DNN and stabilize training with reinforcement learning techniques.
result Stable training of DNN to achieve state-of-the-art PESQ scores and better sound quality.
Unified model combines scores and rankings for grant panel review.
problem Combining scores and rankings for quality assessment in panel review.
method Mallows-Binomial model with tree-search algorithm for exact MLE.
result Model combines scores and rankings to quantify object quality and measure consensus.
In subgroup discovery, also known as supervised pattern mining, discovering high quality one-dimensional subgroups and refinements of these is a crucial task. For nominal attributes, this is relatively straightforward, as we can consider individual attribute values as binary features. For numerical attributes, the task…
This paper uses LLMs for causal discovery with active learning and dynamic scoring to improve efficiency and fairness.
problem High computational demands and complexities of large-scale data in causal discovery.
method Metadata-based approach, BFS strategy, Active Learning, Dynamic Scoring Mechanism, LLM confidence scores.
result Significantly reduced number of queries and improved efficiency in causal graph construction.
High-quality image synthesis with diffusion models, achieving state-of-the-art FID score.
problem Generating high-quality images from latent variables.
method Training diffusion probabilistic models with a weighted variational bound, inspired by denoising score matching and Langevin dynamics.
result State-of-the-art FID score of 3.17 on CIFAR10 dataset.
PACC Discovery improves causal inference from limited data.
problem Inferring causal relationships from finite data.
method Extends PAC learning principles to causal inference.
result Theoretical guarantees for various causal methods.
Novel criterion identifies heteroscedastic noise in causal discovery.
problem Heteroscedastic noise violates equal-variance assumption in causal discovery.
method Skewness-based criterion for identifying HSNMs.
result Skewness-based criterion distinguishes causal from anticausal directions.
New score-based methods identify causal structures with latent variables.
problem Identifying causal structures involving latent variables.
method Score-based methods with identifiability guarantees.
result Score equivalence and consistency for latent variable causal models.
CTM improves diffusion model sampling quality with efficient ODE traversal.
problem Lack of natural trade-off between sample quality and speed in consistency models.
method CTM trains a neural network to output scores and traverse ODE trajectories efficiently.
result CTM achieves state-of-the-art FIDs and improves sample quality with increased computational budget.
CASPER improves DAG structure learning by integrating graph structure into score function.
problem Discovering suboptimal DAGs and model vulnerabilities in causal discovery.
method CASPER integrates graph structure into the score function as a new measure in the causal space, enhancing DAG structure learning via adaptive attention to DAG-ness.
result CASPER outperforms state-of-the-art methods in terms of accuracy and robustness.
Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's impressive performance in commercial applications, several unique challenges exist …
New framework uses background knowledge to speed up causal discovery.
problem Scalable causal discovery for large datasets.
method Utilizes background knowledge during causal discovery process.
result Background knowledge reduces computational requirements and improves structure quality.
Proposes GM Score to evaluate GANs considering diversity, disentanglement, and discriminability.
problem Evaluation of GANs for sample quality and diversity.
method Integrates various factors including intra-class and inter-class diversity, disentanglement, and discriminability metrics.
result Demonstrates improved evaluation of GANs on MNIST dataset.
New bounds close the score matching gap for diffusion models.
problem The difference between sample quality and score matching loss in diffusion models.
method Theoretical analysis of score matching gap, developing tighter bounds for KL divergence, reverse KL divergence, and Wasserstein distance.
result The quality of score approximation impacts closing the score matching gap for low noise scales.