Knowledge graphs represent facts about real-world entities. Most of these facts are defined as positive statements. The negative statements are scarce but highly relevant under the open-world assumption. Furthermore, they have been demonstrated to improve the performance of several applications, namely in the biomedical domain. However, no benchmark dataset supports the evaluation of the methods that consider these negative statements. We present a collection of datasets for three relation prediction tasks - protein-protein interaction prediction, gene-disease association prediction and disease prediction - that aim at circumventing the difficulties in building benchmarks for knowledge graphs with negative statements. These datasets include data from two successful biomedical ontologies, Gene Ontology and Human Phenotype Ontology, enriched with negative statements. We also generate knowledge graph embeddings for each dataset with two popular path-based methods and evaluate the performance in each task. The results show that the negative statements can improve the performance of knowledge graph embeddings.
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We establish tight bi-Lipschitz bounds certifying quasi-universality (universality up to a constant factor) for various distances between Reeb graphs: the interleaving distance, the functional distortion distance, and the functional contortion distance. The definition of the latter distance is a novel contribution, and for the special case of contour trees we also prove strict universality of this distance. Furthermore, we prove that for the special case of merge trees the functional contortion distance coincides with the interleaving distance, yielding universality of all four distances in this case.
This study focuses on the use of model and data fusion for improving the Spalart-Allmaras (SA) closure model for Reynolds-averaged Navier-Stokes solutions of separated flows. In particular, our goal is to develop of models that not-only assimilate sparse experimental data to improve performance in computational models, but also generalize to unseen cases by recovering classical SA behavior. We achieve our goals using data assimilation, namely the Ensemble Kalman Filtering approach (EnKF), to calibrate the coefficients of the SA model for separated flows. A holistic calibration strategy is implemented via a parameterization of the production, diffusion, and destruction terms. This calibration relies on the assimilation of experimental data collected velocity profiles, skin friction, and pressure coefficients for separated flows. Despite using of observational data from a single flow condition around a backward-facing step (BFS), the recalibrated SA model demonstrates generalization to other separated flows, including cases such as the 2D-bump and modified BFS. Significant improvement is observed in the quantities of interest, i.e., skin friction coefficient ($C_f$) and pressure coefficient ($C_p$) for each flow tested. Finally, it is also demonstrated that the newly proposed model recovers SA proficiency for external, unseparated flows, such as flow around a NACA-0012 airfoil without any danger of extrapolation, and that the individually calibrated terms in the SA model are targeted towards specific flow-physics wherein the calibrated production term improves the re-circulation zone while destruction improves the recovery zone.
Most of the literature on causality considers the structural framework of Pearl and the potential-outcome framework of Neyman and Rubin to be formally equivalent, and therefore interchangeably uses the do-notation and the potential-outcome subscript notation to write counterfactual outcomes. In this paper, we superimpose the two causal frameworks to prove that structural counterfactual outcomes and potential outcomes do not coincide in general -- not even in law. More precisely, we express the law of the potential outcomes in terms of the latent structural causal model under the fundamental assumptions of causal inference. This enables us to precisely identify when counterfactual inference is or is not equivalent between approaches, and to clarify the meaning of each kind of counterfactuals.
DNA is a promising storage medium, but its stability and occurrence of Indel errors pose a significant challenge. The relative occurrence of Guanine(G) and Cytosine(C) in DNA is crucial for its longevity, and reverse complementary base pairs should be avoided to prevent the formation of a secondary structure in DNA strands. We overcome these challenges by selecting appropriate group homomorphisms. For storing and retrieving information in DNA strings we use kernel code and the Varshamov-Tenengolts algorithm. The Varshamov-Tenengolts algorithm corrects single indel errors. Additionally, we construct codes of any desired length (n) while calculating its reverse complement distance based on the value of n.
The Symmetric Information Bottleneck (SIB), an extension of the more familiar Information Bottleneck, is a dimensionality reduction technique that simultaneously compresses two random variables to preserve information between their compressed versions. We introduce the Generalized Symmetric Information Bottleneck (GSIB), which explores different functional forms of the cost of such simultaneous reduction. We then explore the dataset size requirements of such simultaneous compression. We do this by deriving bounds and root-mean-squared estimates of statistical fluctuations of the involved loss functions. We show that, in typical situations, the simultaneous GSIB compression requires qualitatively less data to achieve the same errors compared to compressing variables one at a time. We suggest that this is an example of a more general principle that simultaneous compression is more data efficient than independent compression of each of the input variables.
A fundamental aspect of statistics is the integration of data from different sources. Classically, Fisher and others were focused on how to integrate homogeneous (or only mildly heterogeneous) sets of data. More recently, as data is becoming more accessible, the question of if data sets from different sources should be integrated is becoming more relevant. The current literature treats this as a question with only two answers: integrate or don't. Here we take a different approach, motivated by information-sharing principles coming from the shrinkage estimation literature. In particular, we deviate from the do/don't perspective and propose a dial parameter that controls the extent to which two data sources are integrated. How far this dial parameter should be turned is shown to depend, for example, on the informativeness of the different data sources as measured by Fisher information. In the context of generalized linear models, this more nuanced data integration framework leads to relatively simple parameter estimates and valid tests/confidence intervals. Moreover, we demonstrate both theoretically and empirically that setting the dial parameter according to our recommendation leads to more efficient estimation compared to other binary data integration schemes.
Missing data frequently occurs in datasets across various domains, such as medicine, sports, and finance. In many cases, to enable proper and reliable analyses of such data, the missing values are often imputed, and it is necessary that the method used has a low root mean square error (RMSE) between the imputed and the true values. In addition, for some critical applications, it is also often a requirement that the imputation method is scalable and the logic behind the imputation is explainable, which is especially difficult for complex methods that are, for example, based on deep learning. Based on these considerations, we propose a new algorithm named "conditional Distribution-based Imputation of Missing Values with Regularization" (DIMV). DIMV operates by determining the conditional distribution of a feature that has missing entries, using the information from the fully observed features as a basis. As will be illustrated via experiments in the paper, DIMV (i) gives a low RMSE for the imputed values compared to state-of-the-art methods; (ii) fast and scalable; (iii) is explainable as coefficients in a regression model, allowing reliable and trustable analysis, makes it a suitable choice for critical domains where understanding is important such as in medical fields, finance, etc; (iv) can provide an approximated confidence region for the missing values in a given sample; (v) suitable for both small and large scale data; (vi) in many scenarios, does not require a huge number of parameters as deep learning approaches; (vii) handle multicollinearity in imputation effectively; and (viii) is robust to the normally distributed assumption that its theoretical grounds rely on.
Linearization of the dynamics of recurrent neural networks (RNNs) is often used to study their properties. The same RNN dynamics can be written in terms of the ``activations" (the net inputs to each unit, before its pointwise nonlinearity) or in terms of the ``activities" (the output of each unit, after its pointwise nonlinearity); the two corresponding linearizations are different from each other. This brief and informal technical note describes the relationship between the two linearizations, between the left and right eigenvectors of their dynamics matrices, and shows that some context-dependent effects are readily apparent under linearization of activity dynamics but not linearization of activation dynamics.
We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.
Knowledge graphs (KGs) of real-world facts about entities and their relationships are useful resources for a variety of natural language processing tasks. However, because knowledge graphs are typically incomplete, it is useful to perform knowledge graph completion or link prediction, i.e. predict whether a relationship not in the knowledge graph is likely to be true. This paper serves as a comprehensive survey of embedding models of entities and relationships for knowledge graph completion, summarizing up-to-date experimental results on standard benchmark datasets and pointing out potential future research directions.
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