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 Scientific Discovery


The Evolution of Data Catalogs: The Data Discovery Platform

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As someone who has spent 13 years in the weeds of data, I witnessed the rise of the "data-driven" trend first hand. Before starting and selling my first data startup, I spent time as a statistical analyst building sales forecasting models in R, a software engineer creating data transformation jobs, and a product manager running A/B tests and analyzing user behaviors. What all these roles had in common was that they gave me an understanding that the context of data -- what it represents, how it was generated, when it was updated last, and the ways it could be joined with other datasets -- is essential to maximizing the data's potential and driving successful outcomes. However, accessing and understanding the context of data is quite difficult. This is because the context of data is often tribal knowledge, meaning it lives only in the brains of the engineers or analysts who have worked with it recently.


Why Computers Will Likely Never Perform Abductive Inferences

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Humans, on the other hand, need none of this. On the basis of very limited or incomplete data, we nonetheless come to the right conclusion about many things (yes, we are fallible, but the miracle is that we are right so often). Noam Chomsky's entire claim to fame in linguistics really amounts to exploring this underdetermination problem, which he referred to as "the poverty of the stimulus." Humans pick up language despite very varied experiences with other human language speakers. Babies born in abusive and sensory deprived environments pick up language.


Translational NLP: A New Paradigm and General Principles for Natural Language Processing Research

arXiv.org Artificial Intelligence

Natural language processing (NLP) research combines the study of universal principles, through basic science, with applied science targeting specific use cases and settings. However, the process of exchange between basic NLP and applications is often assumed to emerge naturally, resulting in many innovations going unapplied and many important questions left unstudied. We describe a new paradigm of Translational NLP, which aims to structure and facilitate the processes by which basic and applied NLP research inform one another. Translational NLP thus presents a third research paradigm, focused on understanding the challenges posed by application needs and how these challenges can drive innovation in basic science and technology design. We show that many significant advances in NLP research have emerged from the intersection of basic principles with application needs, and present a conceptual framework outlining the stakeholders and key questions in translational research. Our framework provides a roadmap for developing Translational NLP as a dedicated research area, and identifies general translational principles to facilitate exchange between basic and applied research.


An Approach to Symbolic Regression Using Feyn

arXiv.org Artificial Intelligence

In this article we introduce the supervised machine learning tool called Feyn. The simulation engine that powers this tool is called the QLattice. The QLattice is a supervised machine learning tool inspired by Richard Feynman's path integral formulation, that explores many potential models that solves a given problem. It formulates these models as graphs that can be interpreted as mathematical equations, allowing the user to completely decide on the trade-off between interpretability, complexity and model performance. We touch briefly upon the inner workings of the QLattice, and show how to apply the python package, Feyn, to scientific problems. We show how it differs from traditional machine learning approaches, what it has in common with them, as well as some of its commonalities with symbolic regression. We describe the benefits of this approach as opposed to black box models. To illustrate this, we go through an investigative workflow using a basic data set and show how the QLattice can help you reason about the relationships between your features and do data discovery.


Toward Building Science Discovery Machines

arXiv.org Artificial Intelligence

The dream of building machines that can do science has inspired scientists for decades. Remarkable advances have been made recently; however, we are still far from achieving this goal. In this paper, we focus on the scientific discovery process where a high level of reasoning and remarkable problem-solving ability are required. We review different machine learning techniques used in scientific discovery with their limitations. We survey and discuss the main principles driving the scientific discovery process. These principles are used in different fields and by different scientists to solve problems and discover new knowledge. We provide many examples of the use of these principles in different fields such as physics, mathematics, and biology. We also review AI systems that attempt to implement some of these principles. We argue that building science discovery machines should be guided by these principles as an alternative to the dominant approach of current AI systems that focuses on narrow objectives. Building machines that fully incorporate these principles in an automated way might open the doors for many advancements.


Hypothesis Testing- Test of Mean, Variance, Proportion

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Hypothesis testing is used to determine whether the assumption about the value of the population parameter should be rejected or not. There are different types of hypothesis testing and different approaches to perform hypothesis testing. Let's learn about this in detail in this article. The null hypothesis is always formulated in such a way that the assumption is true. If we fail to reject the null hypothesis means no follow-up action is required.


A New Paradigm of Threats in Robotics Behaviors

arXiv.org Artificial Intelligence

Robots applications in our daily life increase at an unprecedented pace. As robots will soon operate "out in the wild", we must identify the safety and security vulnerabilities they will face. Robotics researchers and manufacturers focus their attention on new, cheaper, and more reliable applications. Still, they often disregard the operability in adversarial environments where a trusted or untrusted user can jeopardize or even alter the robot's task. In this paper, we identify a new paradigm of security threats in the next generation of robots. These threats fall beyond the known hardware or network-based ones, and we must find new solutions to address them. These new threats include malicious use of the robot's privileged access, tampering with the robot sensors system, and tricking the robot's deliberation into harmful behaviors. We provide a taxonomy of attacks that exploit these vulnerabilities with realistic examples, and we outline effective countermeasures to prevent better, detect, and mitigate them.


Approximation Algorithms for Active Sequential Hypothesis Testing

arXiv.org Machine Learning

In the problem of active sequential hypotheses testing (ASHT), a learner seeks to identify the true hypothesis $h^*$ from among a set of hypotheses $H$. The learner is given a set of actions and knows the outcome distribution of any action under any true hypothesis. While repeatedly playing the entire set of actions suffices to identify $h^*$, a cost is incurred with each action. Thus, given a target error $\delta>0$, the goal is to find the minimal cost policy for sequentially selecting actions that identify $h^*$ with probability at least $1 - \delta$. This paper provides the first approximation algorithms for ASHT, under two types of adaptivity. First, a policy is partially adaptive if it fixes a sequence of actions in advance and adaptively decides when to terminate and what hypothesis to return. Under partial adaptivity, we provide an $O\big(s^{-1}(1+\log_{1/\delta}|H|)\log (s^{-1}|H| \log |H|)\big)$-approximation algorithm, where $s$ is a natural separation parameter between the hypotheses. Second, a policy is fully adaptive if action selection is allowed to depend on previous outcomes. Under full adaptivity, we provide an $O(s^{-1}\log (|H|/\delta)\log |H|)$-approximation algorithm. We numerically investigate the performance of our algorithms using both synthetic and real-world data, showing that our algorithms outperform a previously proposed heuristic policy.


Data Discovery Platforms and Their Open Source Solutions

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In the past year or two, many companies have shared their data discovery platforms (the latest being Facebook's Nemo). Based on this list, we now know of more than 10 implementations. I haven't been paying much attention to these developments in data discovery and wanted to catch up. By the end of this, we'll learn about the key features that solve 80% of data discoverability problems. We'll also see how the platforms compare on these features, and take a closer look at open source solutions available.


AI 4 Proteins 2021 Sponsors : AI 4 Scientific Discovery

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If you are interested in sponsoring our event series, please contact Dr Samantha Kanza. Arctoris is an Oxford-based research company that is transforming drug discovery for biotech and AI-driven drug discovery companies, pharmaceutical corporations and academia. Arctoris developed and operates Ulysses, the world's first fully automated drug discovery platform. Accessible remotely, the platform enables researchers worldwide to perform their research rapidly, with more accuracy, transparency, and full reproducibility. Arctoris accelerates drug discovery programmes from idea to clinical testing, combining human ingenuity with the power of robotics.