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Raman spectroscopy is an important characterization tool with diverse applications in many areas of research. We propose a machine learning method for predicting polarizabilities with the goal of providing Raman spectra from molecular…
Faces-classes of grains, often referred to as topological features, largely dictate the evolution of polycrystalline microstructures during grain growth. Realising these topological features is generally an arduous task, often demanding…
Scientific software is one of the key elements for reproducible research. However, classic publications and related scientific software are typically not (sufficiently) linked, and it lacks tools to jointly explore these artefacts. In this…
Many aspects of macroevolutionary theory and our understanding of biotic responses to global environmental change derive from literature-based compilations of palaeontological data. Existing manually assembled databases are, however,…
Ranking is a central task in machine learning and information retrieval. In this task, it is especially important to present the user with a slate of items that is appealing as a whole. This in turn requires taking into account interactions…
Eye-tracking-while-reading corpora are a valuable resource for many different disciplines and use cases. Use cases range from studying the cognitive processes underlying reading to machine-learning-based applications, such as gaze-based…
Document retrieval is one of the best established information retrieval activities since the sixties, pervading all search engines. Its aim is to obtain, from a collection of text documents, those most relevant to a pattern query. Current…
The recommendation methods based on network diffusion have been shown to perform well in both recommendation accuracy and diversity. Nowdays, numerous extensions have been made to further improve the performance of such methods. However, to…
Cheap high-throughput DNA sequencing may soon become routine not only for human genomes but also for practically anything requiring the identification of living organisms from their DNA: tracking of infectious agents, control of food…
The volume of scientific publications in organizational research becomes exceedingly overwhelming for human researchers who seek to timely extract and review knowledge. This paper introduces natural language processing (NLP) models to…
We introduce a Python package that provides simply and unified access to a collection of datasets from fundamental physics research - including particle physics, astroparticle physics, and hadron- and nuclear physics - for supervised…
WordRep is a benchmark collection for the research on learning distributed word representations (or word embeddings), released by Microsoft Research. In this paper, we describe the details of the WordRep collection and show how to use it in…
This paper develops projection pursuit for discrete data using the discrete Radon transform. Discrete projection pursuit is presented as an exploratory method for finding informative low dimensional views of data such as binary vectors,…
We summarize our exploratory investigation into whether Machine Learning (ML) techniques applied to publicly available professional text can substantially augment strategic planning for astronomy. We find that an approach based on Latent…
The rapid expansion of scholarly publications across diverse disciplines has made it increasingly difficult to systematically evaluate how research contributes to the United Nations Sustainable Development Goals (SDGs). Domain…
In general, recommender systems are designed to provide personalized items to a user. But in few cases, items are recommended for a group, and the challenge is to aggregate the individual user preferences to infer the recommendation to a…
Each claim in a research paper requires all relevant prior knowledge to be discovered, assimilated, and appropriately cited. However, despite the availability of powerful search engines and sophisticated text editing software, discovering…
This graduate textbook on machine learning tells a story of how patterns in data support predictions and consequential actions. Starting with the foundations of decision making, we cover representation, optimization, and generalization as…
Recent advancements in the area of Computer Vision with state-of-art Neural Networks has given a boost to Optical Character Recognition (OCR) accuracies. However, extracting characters/text alone is often insufficient for relevant…
The Discovery Engine is a general purpose automated system for scientific discovery, which combines machine learning with state-of-the-art ML interpretability to enable rapid and robust scientific insight across diverse datasets. In this…