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BERTChem-DDI : Improved Drug-Drug Interaction Prediction from text using Chemical Structure Information

arXiv.org Artificial Intelligence

Traditional biomedical version of embeddings obtained from pre-trained language models have recently shown state-of-the-art results for relation extraction (RE) tasks in the medical domain. In this paper, we explore how to incorporate domain knowledge, available in the form of molecular structure of drugs, for predicting Drug-Drug Interaction from textual corpus. We propose a method, BERTChem-DDI, to efficiently combine drug embeddings obtained from the rich chemical structure of drugs along with off-the-shelf domain-specific BioBERT embedding-based RE architecture. Experiments conducted on the DDIExtraction 2013 corpus clearly indicate that this strategy improves other strong baselines architectures by 3.4\% macro F1-score.


Get It Scored Using AutoSAS -- An Automated System for Scoring Short Answers

arXiv.org Artificial Intelligence

In the era of MOOCs, online exams are taken by millions of candidates, where scoring short answers is an integral part. It becomes intractable to evaluate them by human graders. Thus, a generic automated system capable of grading these responses should be designed and deployed. In this paper, we present a fast, scalable, and accurate approach towards automated Short Answer Scoring (SAS). We propose and explain the design and development of a system for SAS, namely AutoSAS. Given a question along with its graded samples, AutoSAS can learn to grade that prompt successfully. This paper further lays down the features such as lexical diversity, Word2Vec, prompt, and content overlap that plays a pivotal role in building our proposed model. We also present a methodology for indicating the factors responsible for scoring an answer. The trained model is evaluated on an extensively used public dataset, namely Automated Student Assessment Prize Short Answer Scoring (ASAP-SAS). AutoSAS shows state-of-the-art performance and achieves better results by over 8% in some of the question prompts as measured by Quadratic Weighted Kappa (QWK), showing performance comparable to humans.


Towards Incorporating Entity-specific Knowledge Graph Information in Predicting Drug-Drug Interactions

arXiv.org Artificial Intelligence

Off-the-shelf biomedical embeddings obtained from the recently released various pre-trained language models (such as BERT, XLNET) have demonstrated state-of-the-art results (in terms of accuracy) for the various natural language understanding tasks (NLU) in the biomedical domain. Relation Classification (RC) falls into one of the most critical tasks. In this paper, we explore how to incorporate domain knowledge of the biomedical entities (such as drug, disease, genes), obtained from Knowledge Graph (KG) Embeddings, for predicting Drug-Drug Interaction from textual corpus. We propose a new method, BERTKG-DDI, to combine drug embeddings obtained from its interaction with other biomedical entities along with domain-specific BioBERT embedding-based RC architecture. Experiments conducted on the DDIExtraction 2013 corpus clearly indicate that this strategy improves other baselines architectures by 4.1% macro F1-score.


LQF: Linear Quadratic Fine-Tuning

arXiv.org Machine Learning

Classifiers that are linear in their parameters, and trained by optimizing a convex loss function, have predictable behavior with respect to changes in the training data, initial conditions, and optimization. Such desirable properties are absent in deep neural networks (DNNs), typically trained by non-linear fine-tuning of a pre-trained model. Previous attempts to linearize DNNs have led to interesting theoretical insights, but have not impacted the practice due to the substantial performance gap compared to standard non-linear optimization. We present the first method for linearizing a pre-trained model that achieves comparable performance to non-linear fine-tuning on most of real-world image classification tasks tested, thus enjoying the interpretability of linear models without incurring punishing losses in performance. LQF consists of simple modifications to the architecture, loss function and optimization typically used for classification: Leaky-ReLU instead of ReLU, mean squared loss instead of cross-entropy, and pre-conditioning using Kronecker factorization. None of these changes in isolation is sufficient to approach the performance of non-linear fine-tuning. When used in combination, they allow us to reach comparable performance, and even superior in the low-data regime, while enjoying the simplicity, robustness and interpretability of linear-quadratic optimization.


On Relating 'Why?' and 'Why Not?' Explanations

arXiv.org Artificial Intelligence

Explanations of Machine Learning (ML) models often address a 'Why?' question. Such explanations can be related with selecting feature-value pairs which are sufficient for the prediction. Recent work has investigated explanations that address a 'Why Not?' question, i.e. finding a change of feature values that guarantee a change of prediction. Given their goals, these two forms of explaining predictions of ML models appear to be mostly unrelated. However, this paper demonstrates otherwise, and establishes a rigorous formal relationship between 'Why?' and 'Why Not?' explanations. Concretely, the paper proves that, for any given instance, 'Why?' explanations are minimal hitting sets of 'Why Not?' explanations and vice-versa. Furthermore, the paper devises novel algorithms for extracting and enumerating both forms of explanations.


Fusion of CNNs and statistical indicators to improve image classification

arXiv.org Artificial Intelligence

Convolutional Networks have dominated the field of computer vision for the last ten years, exhibiting extremely powerful feature extraction capabilities and outstanding classification performance. The main strategy to prolong this trend relies on further upscaling networks in size. However, costs increase rapidly while performance improvements may be marginal. We hypothesise that adding heterogeneous sources of information may be more cost-effective to a CNN than building a bigger network. In this paper, an ensemble method is proposed for accurate image classification, fusing automatically detected features through Convolutional Neural Network architectures with a set of manually defined statistical indicators. Through a combination of the predictions of a CNN and a secondary classifier trained on statistical features, better classification performance can be cheaply achieved. We test multiple learning algorithms and CNN architectures on a diverse number of datasets to validate our proposal, making public all our code and data via GitHub. According to our results, the inclusion of additional indicators and an ensemble classification approach helps to increase the performance in 8 of 9 datasets, with a remarkable increase of more than 10% precision in two of them.


SPlit: An Optimal Method for Data Splitting

arXiv.org Machine Learning

For developing statistical and machine learning models, it is common to split the dataset into two parts: training and testing (Stone, 1974; Hastie et al., 2009). The training part is used for fitting the model, that is, to estimate the unknown parameters in the model. The model is then evaluated for its accuracy using the testing dataset. The reason for doing this is because if we were to use the entire dataset for fitting, the model would overfit the data and can lead to poor predictions in future scenarios. Therefore, holding out a portion of the dataset and testing the model for its performance before deploying it in the field can protect against unexpected issues that can arise due to overfitting. In this article we consider only datasets where each row is independent, that is, we will exclude cases such as time series data. The simplest and probably the most common strategy to split such a dataset is to randomly sample a fraction of the dataset.


Recent advances in deep learning theory

arXiv.org Machine Learning

Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.


The Future of Work: 'ars longa' by Tade Thompson

WIRED

Is it an artist thing? That's a lot less than I expected, but I'll make it work. I see him and I hear woodwind instruments. The symmetry of him, the curve of his neck … I must take some sketches, some studies. He has that post-racial skin tone, but I can use it.


Inferring the Direction of a Causal Link and Estimating Its Effect via a Bayesian Mendelian Randomization Approach

arXiv.org Machine Learning

The use of genetic variants as instrumental variables - an approach known as Mendelian randomization - is a popular epidemiological method for estimating the causal effect of an exposure (phenotype, biomarker, risk factor) on a disease or health-related outcome from observational data. Instrumental variables must satisfy strong, often untestable assumptions, which means that finding good genetic instruments among a large list of potential candidates is challenging. This difficulty is compounded by the fact that many genetic variants influence more than one phenotype through different causal pathways, a phenomenon called horizontal pleiotropy. This leads to errors not only in estimating the magnitude of the causal effect but also in inferring the direction of the putative causal link. In this paper, we propose a Bayesian approach called BayesMR that is a generalization of the Mendelian randomization technique in which we allow for pleiotropic effects and, crucially, for the possibility of reverse causation. The output of the method is a posterior distribution over the target causal effect, which provides an immediate and easily interpretable measure of the uncertainty in the estimation. More importantly, we use Bayesian model averaging to determine how much more likely the inferred direction is relative to the reverse direction.