相关论文: QuantifyML: How Good is my Machine Learning Model?

The development of quantum technologies relies on creating and manipulating quantum systems of increasing complexity, with key applications in computation, simulation, and sensing. This poses severe challenges in efficient control,…

Metamodels, or the regression analysis of Monte Carlo simulation results, provide a powerful tool to summarize simulation findings. However, an underutilized approach is the multilevel metamodel (MLMM) that accounts for the dependent data…

Quantum machine learning (QML) is a discipline that seeks to transfer the advantages of quantum computing to data-driven tasks. However, many studies rely on toy datasets or heavy feature reduction, raising concerns about their scalability.…

Quantum machine learning (QML) is a promising early use case for quantum computing. There has been progress in the last five years from theoretical studies and numerical simulations to proof of concepts. Use cases demonstrated on…

In this paper, we argue that the prevailing approach to training and evaluating machine learning models often fails to consider their real-world application within organizational or societal contexts, where they are intended to create…

Machine learning (ML) approaches enable large-scale atomistic simulations with near-quantum-mechanical accuracy. With the growing availability of these methods there arises a need for careful validation, particularly for physically agnostic…

An increasingly common use case for machine learning models is augmenting the abilities of human decision makers. For classification tasks where neither the human or model are perfectly accurate, a key step in obtaining high performance is…

Benchmarking models via classical simulations is one of the main ways to judge ideas in quantum machine learning before noise-free hardware is available. However, the huge impact of the experimental design on the results, the small scales…

A common assumption exists according to which machine learning models improve their performance when they have more data to learn from. In this study, the authors wished to clarify the dilemma by performing an empirical experiment utilizing…

Reinforcement learning has witnessed significant advancements, particularly with the emergence of model-based approaches. Among these, $Q$-learning has proven to be a powerful algorithm in model-free settings. However, the extension of…

Measurement of uncertainty of predictions from machine learning methods is important across scientific domains and applications. We present, to our knowledge, the first such technique that quantifies the uncertainty of predictions from a…

Machine Learning (ML) is an expressive framework for turning data into computer programs. Across many problem domains -- both in industry and policy settings -- the types of computer programs needed for accurate prediction or optimal…

Poor data quality limits the advantageous power of Machine Learning (ML) and weakens high-performing ML software systems. Nowadays, data are more prone to the risk of poor quality due to their increasing volume and complexity. Therefore,…

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

In contemporary times, machine learning (ML) has sparked a remarkable revolution across numerous domains, surpassing even the loftiest of human expectations. However, despite the astounding progress made by ML, the need to regulate its…

Classifier calibration has received recent attention from the machine learning community due both to its practical utility in facilitating decision making, as well as the observation that modern neural network classifiers are poorly…

Machine Learning (ML) models are often complex and difficult to interpret due to their 'black-box' characteristics. Interpretability of a ML model is usually defined as the degree to which a human can understand the cause of decisions…

Quantum Machine Learning (QML) aims to leverage the principles of quantum mechanics to speed up the process of solving machine learning problems or improve the quality of solutions. Among these principles, entanglement with an auxiliary…

Machine learning (ML) may improve and automate quality control (QC) in injection moulding manufacturing. As the labelling of extensive, real-world process data is costly, however, the use of simulated process data may offer a first step…

Model-based Reinforcement Learning (MBRL) holds promise for data-efficiency by planning with model-generated experience in addition to learning with experience from the environment. However, in complex or changing environments, models in…