This scaling behavior coincides with the one reportedinTripuranenietal. (2020)usingGaussiancomplexity.

The complementary information found in different modalities of patient data can aid in more accurate modelling of a patient's disease state and a better understanding of the underlying biological processes of a disease. However, the analysis of multi-modal, multi-omics data presents many challenges, including high dimensionality and varying size, statistical distribution, scale and signal strength between modalities. In this work we compare the performance of a variety of ensemble machine learning algorithms that are capable of late integration of multi-class data from different modalities. The ensemble methods and their variations tested were i) a voting ensemble, with hard and soft vote, ii) a meta learner, iii) a multi-modal Adaboost model using a hard vote, a soft vote and a meta learner to integrate the modalities on each boosting round, the PB-MVBoost model and a novel application of a mixture of experts model. These were compared to simple concatenation as a baseline. We examine these methods using data from an in-house study on hepatocellular carcinoma (HCC), along with four validation datasets on studies from breast cancer and irritable bowel disease (IBD). Using the area under the receiver operating curve as a measure of performance we develop models that achieve a performance value of up to 0.85 and find that two boosted methods, PB-MVBoost and Adaboost with a soft vote were the overall best performing models. We also examine the stability of features selected, and the size of the clinical signature determined. Finally, we provide recommendations for the integration of multi-modal multi-class data.

The performance of reinforcement learning (RL) algorithms is sensitive to the choice of hyperparameters, with the learning rate being particularly influential. RL algorithms fail to reach convergence or demand an extensive number of samples when the learning rate is not optimally set. In this work, we show that model selection can help to improve the failure modes of RL that are due to suboptimal choices of learning rate. We present a model selection framework for Learning Rate-Free Reinforcement Learning that employs model selection methods to select the optimal learning rate on the fly. This approach of adaptive learning rate tuning neither depends on the underlying RL algorithm nor the optimizer and solely uses the reward feedback to select the learning rate; hence, the framework can input any RL algorithm and produce a learning rate-free version of it. We conduct experiments for policy optimization methods and evaluate various model selection strategies within our framework. Our results indicate that data-driven model selection algorithms are better alternatives to standard bandit algorithms when the optimal choice of hyperparameter is time-dependent and non-stationary.

Representation learning of source code is essential for applying machine learning to software engineering tasks. Learning code representation from a multilingual source code dataset has been shown to be more effective than learning from single-language datasets separately, since more training data from multilingual dataset improves the model's ability to extract language-agnostic information from source code. However, existing multilingual training overlooks the language-specific information which is crucial for modeling source code across different programming languages, while only focusing on learning a unified model with shared parameters among different languages for language-agnostic information modeling. To address this problem, we propose MetaTPTrans, a meta learning approach for multilingual code representation learning. MetaTPTrans generates different parameters for the feature extractor according to the specific programming language type of the input code snippet, enabling the model to learn both language-agnostic and language-specific information with dynamic parameters in the feature extractor. We conduct experiments on the code summarization and code completion tasks to verify the effectiveness of our approach. The results demonstrate the superiority of our approach with significant improvements on state-of-the-art baselines.

Recent work has established that the conditional mutual information (CMI) framework of Steinke and Zakynthinou (2020) is expressive enough to capture generalization guarantees in terms of algorithmic stability, VC dimension, and related complexity measures for conventional learning (Harutyunyan et al., 2021, Haghifam et al., 2021). Hence, it provides a unified method for establishing generalization bounds. In meta learning, there has so far been a divide between information-theoretic results and results from classical learning theory. In this work, we take a first step toward bridging this divide. Specifically, we present novel generalization bounds for meta learning in terms of the evaluated CMI (e-CMI). To demonstrate the expressiveness of the e-CMI framework, we apply our bounds to a representation learning setting, with $n$ samples from $\hat n$ tasks parameterized by functions of the form $f_i \circ h$. Here, each $f_i \in \mathcal F$ is a task-specific function, and $h \in \mathcal H$ is the shared representation. For this setup, we show that the e-CMI framework yields a bound that scales as $\sqrt{ \mathcal C(\mathcal H)/(n\hat n) + \mathcal C(\mathcal F)/n} $, where $\mathcal C(\cdot)$ denotes a complexity measure of the hypothesis class. This scaling behavior coincides with the one reported in Tripuraneni et al. (2020) using Gaussian complexity.

Polymers are a vital part of everyday life. Their chemical universe is so large that it presents unprecedented opportunities as well as significant challenges to identify suitable application-specific candidates. We present a complete end-to-end machine-driven polymer informatics pipeline that can search this space for suitable candidates at unprecedented speed and accuracy. This pipeline includes a polymer chemical fingerprinting capability called polyBERT (inspired by Natural Language Processing concepts), and a multitask learning approach that maps the polyBERT fingerprints to a host of properties. polyBERT is a chemical linguist that treats the chemical structure of polymers as a chemical language. The present approach outstrips the best presently available concepts for polymer property prediction based on handcrafted fingerprint schemes in speed by two orders of magnitude while preserving accuracy, thus making it a strong candidate for deployment in scalable architectures including cloud infrastructures.

Non-degradable plastic waste stays for decades on land and in water, jeopardizing our environment; yet our modern lifestyle and current technologies are impossible to sustain without plastics. Bio-synthesized and biodegradable alternatives such as the polymer family of polyhydroxyalkanoates (PHAs) have the potential to replace large portions of the world's plastic supply with cradle-to-cradle materials, but their chemical complexity and diversity limit traditional resource-intensive experimentation. In this work, we develop multitask deep neural network property predictors using available experimental data for a diverse set of nearly 23000 homo- and copolymer chemistries. Using the predictors, we identify 14 PHA-based bioplastics from a search space of almost 1.4 million candidates which could serve as potential replacements for seven petroleum-based commodity plastics that account for 75% of the world's yearly plastic production. We discuss possible synthesis routes for these identified promising materials. The developed multitask polymer property predictors are made available as a part of the Polymer Genome project at https://PolymerGenome.org.

A knowledge graph (KG) consists of a set of interconnected typed entities and their attributes. Recently, KGs are popularly used as the auxiliary information to enable more accurate, explainable, and diverse user preference recommendations. Specifically, existing KG-based recommendation methods target modeling high-order relations/dependencies from long connectivity user-item interactions hidden in KG. However, most of them ignore the cold-start problems (i.e., user cold-start and item cold-start) of recommendation analytics, which restricts their performance in scenarios when involving new users or new items. Inspired by the success of meta-learning on scarce training samples, we propose a novel meta-learning based framework called MetaKG, which encompasses a collaborative-aware meta learner and a knowledge-aware meta learner, to capture meta users' preference and entities' knowledge for cold-start recommendations. The collaborative-aware meta learner aims to locally aggregate user preferences for each user preference learning task. In contrast, the knowledge-aware meta learner is to globally generalize knowledge representation across different user preference learning tasks. Guided by two meta learners, MetaKG can effectively capture the high-order collaborative relations and semantic representations, which could be easily adapted to cold-start scenarios. Besides, we devise a novel adaptive task scheduler which can adaptively select the informative tasks for meta learning in order to prevent the model from being corrupted by noisy tasks. Extensive experiments on various cold-start scenarios using three real data sets demonstrate that our presented MetaKG outperforms all the existing state-of-the-art competitors in terms of effectiveness, efficiency, and scalability.

Cardiovascular disease, especially heart failure is one of the major health hazard issues of our time and is a leading cause of death worldwide. Advancement in data mining techniques using machine learning (ML) models is paving promising prediction approaches. Data mining is the process of converting massive volumes of raw data created by the healthcare institutions into meaningful information that can aid in making predictions and crucial decisions. Collecting various follow-up data from patients who have had heart failures, analyzing those data, and utilizing several ML models to predict the survival possibility of cardiovascular patients is the key aim of this study. Due to the imbalance of the classes in the dataset, Synthetic Minority Oversampling Technique (SMOTE) has been implemented. Two unsupervised models (K-Means and Fuzzy C-Means clustering) and three supervised classifiers (Random Forest, XGBoost and Decision Tree) have been used in our study. After thorough investigation, our results demonstrate a superior performance of the supervised ML algorithms over unsupervised models. Moreover, we designed and propose a supervised stacked ensemble learning model that can achieve an accuracy, precision, recall and F1 score of 99.98%. Our study shows that only certain attributes collected from the patients are imperative to successfully predict the surviving possibility post heart failure, using supervised ML algorithms.