Related papers: Adaptive Bayesian Linear Regression for Automated …

Bayesian optimization is normally performed within fixed variable bounds. In cases like hyperparameter tuning for machine learning algorithms, setting the variable bounds is not trivial. It is hard to guarantee that any fixed bounds will…

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

The field of meta-learning seeks to improve the ability of today's machine learning systems to adapt efficiently to small amounts of data. Typically this is accomplished by training a system with a parametrized update rule to improve a…

Background. Due to the widespread adoption of Artificial Intelligence (AI) and Machine Learning (ML) for building software applications, companies are struggling to recruit employees with a deep understanding of such technologies. In this…

Large organizations have seamlessly incorporated data-driven decision making in their operations. However, as data volumes increase, expensive big data infrastructures are called to rescue. In this setting, analytics tasks become very…

Intelligent Transportation Systems are producing tons of hardly manageable traffic data, which motivates the use of Machine Learning (ML) for data-driven applications, such as Traffic Forecasting (TF). TF is gaining relevance due to its…

Meta-learning aims to extract useful inductive biases from a set of related datasets. In Bayesian meta-learning, this is typically achieved by constructing a prior distribution over neural network parameters. However, specifying families of…

AutoClustering methods aim to automate unsupervised learning tasks, including algorithm selection (AS), hyperparameter optimization (HPO), and pipeline synthesis (PS), by often leveraging meta-learning over dataset meta-features. While…

Data science relies on pipelines that are organized in the form of interdependent computational steps. Each step consists of various candidate algorithms that maybe used for performing a particular function. Each algorithm consists of…

The central goal of active learning is to gather data that maximises downstream predictive performance, but popular approaches have limited flexibility in customising this data acquisition to different downstream problems and losses. We…

This paper describes stochastic search approaches, including a new stochastic algorithm and an adaptive mutation operator, for learning Bayesian networks from incomplete data. This problem is characterized by a huge solution space with a…

Recently, Deep Neural Network (DNN) algorithms have been explored for predicting trends in time series data. In many real world applications, time series data are captured from dynamic systems. DNN models must provide stable performance…

\noindent Hyper-parameter selection is a central practical problem in modern machine learning, governing regularization strength, model capacity, and robustness choices. Cross-validation is often computationally prohibitive at scale, while…

Automated Machine Learning (AutoML) has significantly advanced the efficiency of ML-focused software development by automating hyperparameter optimization and pipeline construction, reducing the need for manual intervention. Quantum Machine…

Transferring knowledge across tasks to improve data-efficiency is one of the open key challenges in the field of global black-box optimization. Readily available algorithms are typically designed to be universal optimizers and, therefore,…

While learning from synthetic training data has recently gained an increased attention, in real-world robotic applications, there are still performance deficiencies due to the so-called Sim-to-Real gap. In practice, this gap is hard to…

Approximate Bayesian Computation is widely used in systems biology for inferring parameters in stochastic gene regulatory network models. Its performance hinges critically on the ability to summarize high-dimensional system responses such…

Meta-learning for few-shot learning allows a machine to leverage previously acquired knowledge as a prior, thus improving the performance on novel tasks with only small amounts of data. However, most mainstream models suffer from…

Bayesian decision theory outlines a rigorous framework for making optimal decisions based on maximizing expected utility over a model posterior. However, practitioners often do not have access to the full posterior and resort to approximate…

We introduce a unified probabilistic framework for solving sequential decision making problems ranging from Bayesian optimisation to contextual bandits and reinforcement learning. This is accomplished by a probabilistic model-based approach…