Automated Machine Learning (AutoML) is a promising direction for democratizing AI by automatically deploying Machine Learning systems with minimal human expertise. The core technical challenge behind AutoML is optimizing the pipelines of Machine Learning systems (e.g. the choice of preprocessing, augmentations, models, optimizers, etc.). Existing Pipeline Optimization techniques fail to explore deep interactions between pipeline stages/components. As a remedy, this paper proposes a novel neural architecture that captures the deep interaction between the components of a Machine Learning pipeline. We propose embedding pipelines into a latent representation through a novel per-component encoder mechanism. To search for optimal pipelines, such pipeline embeddings are used within deep-kernel Gaussian Process surrogates inside a Bayesian Optimization setup. Furthermore, we meta-learn the parameters of the pipeline embedding network using existing evaluations of pipelines on diverse collections of related datasets (a.k.a. meta-datasets). Through extensive experiments on three large-scale meta-datasets, we demonstrate that pipeline embeddings yield state-of-the-art results in Pipeline Optimization.

Multi-objective optimization is important for various Deep Learning applications, however, no prior multi-objective method suits very deep networks. Existing approaches either require training a new network for every solution on the Pareto front or add a considerable overhead to the number of parameters by introducing hyper-networks conditioned on modifiable preferences. In this paper, we present a novel method that contextualizes the network directly on the preferences by adding them to the input space. In addition, we ensure a well-spread Pareto front by forcing the solutions to preserve a small angle to the preference vector. Through extensive experiments, we demonstrate that our Pareto fronts achieve state-of-the-art quality despite being computed significantly faster. Furthermore, we demonstrate the scalability as our method approximates the full Pareto front on the CelebA dataset with an EfficientNet network at a marginal training time overhead of 7% compared to a single-objective optimization. We make the code publicly available at https://github.com/ruchtem/cosmos.

Normalized discounted cumulative gain (NDCG) is one of the popular evaluation metrics for recommender systems and learning-to-rank problems. As it is non-differentiable, it cannot be optimized by gradient-based optimization procedures. In the last twenty years, a plethora of surrogate losses have been engineered that aim to make learning recommendation and ranking models that optimize NDCG possible. However, binary relevance implicit feedback settings still pose a significant challenge for such surrogate losses as they are usually designed and evaluated only for multi-level relevance feedback. In this paper, we address the limitations of directly optimizing the NDCG measure by proposing a guided learning approach (GuidedRec) that adopts recent advances in parameterized surrogate losses for NDCG. Starting from the observation that jointly learning a surrogate loss for NDCG and the recommendation model is very unstable, we design a stepwise approach that can be seamlessly applied to any recommender system model that uses a point-wise logistic loss function. The proposed approach guides the models towards optimizing the NDCG using an independent surrogate-loss model trained to approximate the true NDCG measure while maintaining the original logistic loss function as a stabilizer for the guiding procedure. In experiments on three recommendation datasets, we show that our guided surrogate learning approach yields models better optimized for NDCG than recent state-of-the-art approaches using engineered surrogate losses.

Abstract Meta-learning, or learning to learn, is a machine learning approach that utilizes prior learning experiences to expedite the learning process on unseen tasks. As a data-driven approach, meta-learning requires meta-features that represent the primary learning tasks or datasets, and are estimated traditonally as engineered dataset statistics that require expert domain knowledge tailored for every meta-task. In this paper, first, we propose a meta-feature extractor called Dataset2Vec that combines the versatility of engineered dataset meta-features with the expressivity of meta-features learned by deep neural networks. Primary learning tasks or datasets are represented as hierarchical sets, i.e., as a set of sets, esp. as a set of predictor/target pairs, and then a DeepSet architecture is employed to regress meta-features on them. Second, we propose a novel auxiliary meta-learning task with abundant data called dataset similarity learning that aims to predict if two batches stem from the same dataset or different ones. In an experiment on a large-scale hyperparameter optimization task for 120 UCI datasets with varying schemas as a meta-learning task, we show that the meta-features of Dataset2Vec outperform the expert engineered meta-features and thus demonstrate the usefulness of learned meta-features for datasets with varying schemas for the first time.

The performance of gradient-based optimization strategies depends heavily on the initial weights of the parametric model. Recent works show that there exist weight initializations from which optimization procedures can find the task-specific parameters faster than from uniformly random initializations and that such a weight initialization can be learned by optimizing a specific model architecture across similar tasks via MAML (Model-Agnostic Meta-Learning). Current methods are limited to populations of classification tasks that share the same number of classes due to the static model architectures used during meta-learning. In this paper, we present HIDRA, a meta-learning approach that enables training and evaluating across tasks with any number of target variables. We show that Model-Agnostic Meta-Learning trains a distribution for all the neurons in the output layer and a specific weight initialization for the ones in the hidden layers. HIDRA explores this by learning one master neuron, which is used to initialize any number of output neurons for a new task. Extensive experiments on the Miniimagenet and Omniglot data sets demonstrate that HIDRA improves over standard approaches while generalizing to tasks with any number of target variables. Moreover, our approach is shown to robustify low-capacity models in learning across complex tasks with a high number of classes for which regular MAML fails to learn any feasible initialization.

The task of classifying multi-relational data spans a wide range of domains such as document classification in citation networks, classification of emails, and protein labeling in proteins interaction graphs. Current state-of-the-art classification models rely on learning per-entity latent representations by mining the whole structure of the relations' graph, however, they still face two major problems. Firstly, it is very challenging to generate expressive latent representations in sparse multi-relational settings with implicit feedback relations as there is very little information per-entity. Secondly, for entities with structured properties such as titles and abstracts (text) in documents, models have to be modified ad-hoc. In this paper, we aim to overcome these two main drawbacks by proposing a flexible nonlinear latent embedding model (BRNLE) for the classification of multi-relational data. The proposed model can be applied to entities with structured properties such as text by utilizing the numerical vector representations of those properties. To address the sparsity problem of implicit feedback relations, the model is optimized via a sparsely-regularized multi-relational pair-wise Bayesian personalized ranking loss (BPR). Experiments on four different real-world datasets show that the proposed model significantly outperforms state-of-the-art models for multi-relational classification.

In very sparse recommender data sets, attributes of users such as age, gender and home location and attributes of items such as, in the case of movies, genre, release year, and director can improve the recommendation accuracy, especially for users and items that have few ratings. While most recommendation models can be extended to take attributes of users and items into account, their architectures usually become more complicated. While attributes for items are often easy to be provided, attributes for users are often scarce for reasons of privacy or simply because they are not relevant to the operational process at hand. In this paper, we address these two problems for attribute-aware recommender systems by proposing a simple model that co-embeds users and items into a joint latent space in a similar way as a vanilla matrix factorization, but with non-linear latent features construction that seamlessly can ingest user or item attributes or both (GraphRec). To address the second problem, scarce attributes, the proposed model treats the user-item relation as a bipartite graph and constructs generic user and item attributes via the Laplacian of the user-item co-occurrence graph that requires no further external side information but the mere rating matrix. In experiments on three recommender datasets, we show that GraphRec significantly outperforms existing state-of-the-art attribute-aware and content-aware recommender systems even without using any side information.

Motifs are the most repetitive/frequent patterns of a time-series. The discovery of motifs is crucial for practitioners in order to understand and interpret the phenomena occurring in sequential data. Currently, motifs are searched among series sub-sequences, aiming at selecting the most frequently occurring ones. Search-based methods, which try out series sub-sequence as motif candidates, are currently believed to be the best methods in finding the most frequent patterns. However, this paper proposes an entirely new perspective in finding motifs. We demonstrate that searching is non-optimal since the domain of motifs is restricted, and instead we propose a principled optimization approach able to find optimal motifs. We treat the occurrence frequency as a function and time-series motifs as its parameters, therefore we learn the optimal motifs that maximize the frequency function. In contrast to searching, our method is able to discover the most repetitive patterns (hence optimal), even in cases where they do not explicitly occur as sub-sequences. Experiments on several real-life time-series datasets show that the motifs found by our method are highly more frequent than the ones found through searching, for exactly the same distance threshold.

Time-series classification has attracted considerable research attention due to the various domains where time-series data are observed, ranging from medicine to econometrics. Traditionally, the focus of time-series classification has been on short time-series data composed of a few patterns exhibiting variabilities, while recently there have been attempts to focus on longer series composed of multiple local patrepeating with an arbitrary irregularity. The primary contribution of this paper relies on presenting a method which can detect local patterns in repetitive time-series via fitting local polynomial functions of a specified degree. We capture the repetitiveness degrees of time-series datasets via a new measure. Furthermore, our method approximates local polynomials in linear time and ensures an overall linear running time complexity. The coefficients of the polynomial functions are converted to symbolic words via equi-area discretizations of the coefficients' distributions. The symbolic polynomial words enable the detection of similar local patterns by assigning the same word to similar polynomials. Moreover, a histogram of the frequencies of the words is constructed from each time-series' bag of words. Each row of the histogram enables a new representation for the series and symbolizes the occurrence of local patterns and their frequencies. In an experimental comparison against state-of-the-art baselines on repetitive datasets, our method demonstrates significant improvements in terms of prediction accuracy.

Shapelets are discriminative sub-sequences of time series that best predict the target variable. For this reason, shapelet discovery has recently attracted considerable interest within the time-series research community. Currently shapelets are found by evaluating the prediction qualities of numerous candidates extracted from the series segments. In contrast to the state-of-the-art, this paper proposes a novel perspective in terms of learning shapelets. A new mathematical formalization of the task via a classification objective function is proposed and a tailored stochastic gradient learning algorithm is applied. The proposed method enables learning near-to-optimal shapelets directly without the need to try out lots of candidates. Furthermore, our method can learn true top-K shapelets by capturing their interaction. Extensive experimentation demonstrates statistically significant improvement in terms of wins and ranks against 13 baselines over 28 time-series datasets.