Science
Science: physics, biology, chemistry, astronomy and space, neuroscience, and research explained.
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Reproducibility in automated chemistry laboratories using computer science abstractions nature.com
Nature Synthesis, 2024. [All Versions]. While abstraction is critical for the transferability of automated laboratory science in (bio)chemical and materials sciences, its improper implementation is a technical debt taken against the reproducibility of experimental results. Over…
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Balancing autonomy and expertise in autonomous synthesis laboratories nature.com
Nature Computational Science, 2025. [All Versions]. Autonomous synthesis laboratories promise to streamline the plan–make–measure–analyze iteration loop. Here, the authors comment on the barriers in the field, the promise of a human on-the-loop approach, and strategies for…
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Quantifying artificial intelligence through algorithmic generalization nature.com
Nature Machine Intelligence, 2025. [All Versions]. The rapid development of artificial intelligence (AI) systems has created an urgent need for their scientific quantification. While their fluency across a variety of domains is impressive, AI systems fall short on tests…
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Large language models for scientific discovery in molecular property prediction nature.com
Nature Machine Intelligence, 2025. [All Versions]. Large language models (LLMs) are a form of artificial intelligence system encapsulating vast knowledge in the form of natural language. These systems are adept at numerous complex tasks including creative writing, storytelling…
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Augmenting large language models with chemistry tools nature.com
Nature Machine Intelligence, 2023. [All Versions]. [Preprint]. This paper introduces ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery and materials design. By integrating 18 expert-designed tools and using GPT-4 as the LLM…
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An intelligent guided troubleshooting method for aircraft based on HybirdRAG nature.com
Scientific Reports, 2025. [All Versions]. To enhance aircraft fault diagnosis efficiency, this paper proposes HybridRAG, an intelligent-guided troubleshooting framework that integrates knowledge graphs and large language models (LLMs). Unlike conventional retrieval-augmented…
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Dual retrieving and ranking medical large language model with retrieval augmented generation nature.com
Scientific Reports, 2025. [All Versions]. Recent advancements in large language models (LLMs) have significantly enhanced text generation across various sectors; however, their medical application faces critical challenges regarding both accuracy and real-time responsiveness…
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Meta-analysis of the functional neuroimaging literature with probabilistic logic programming nature.com
Scientific Reports, 2022. [All Versions]. Inferring reliable brain-behavior associations requires synthesizing evidence from thousands of functional neuroimaging studies through meta-analysis. However, existing meta-analysis tools are limited to investigating simple…
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Design of metalloproteins and novel protein folds using variational autoencoders nature.com
Scientific Reports, 2018. [All Versions]. The design of novel proteins has many applications but remains an attritional process with success in isolated cases. Meanwhile, deep learning technologies have exploded in popularity in recent years and are increasingly applicable to…
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Using human brain activity to guide machine learning nature.com
Scientific Report, 2018. [All Versions].
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Scientific Data, 2024. [All Versions]. Although cellular senescence is a key factor in organismal aging, with both positive and negative effects on individuals, its mechanisms remain largely unknown. Thus, integrating knowledge is essential to explain how cellular senescence…
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Scientific Data, 2020. [All Versions]. [Project]. Advances in computer-assisted linguistic research have been greatly influential in reshaping linguistic research. With the increasing availability of interconnected datasets created and curated by researchers, more and more…
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Shared computational principles for language processing in humans and deep language models nature.com
Nature Neuroscience, 2022. [All Versions].
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Towards end-to-end automation of AI research nature.com
Nature, 2026. [All Versions]. The automation of science is a long-standing ambition in artificial intelligence (AI) research. Although the community has made substantial progress in automating individual components of the scientific process, a system that autonomously navigates…
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The Virtual Lab of AI agents designs new SARS-CoV-2 nanobodies nature.com
Nature, 2025. [All Versions]. Science frequently benefits from teams of interdisciplinary researchers, but many scientists do not have easy access to experts from multiple fields. Although large language models (LLMs) have shown an impressive ability to aid researchers across…
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Language is primarily a tool for communication rather than thought nature.com
Nature, 2024. [All Versions]. This perspective brings recent evidence from neuroscience and allied disciplines to argue that in modern humans, language is a tool for communication, contrary to a prominent view that we use language for thinking. The authors begins by introducing…
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Scientific discovery in the age of artificial intelligence nature.com
Nature, 2023. [All Versions]. A review article that examines breakthroughs over the past decade that include self-supervised learning, which allows models to be trained on vast amounts of unlabelled data, and geometric deep learning, which leverages knowledge about the…
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A mobile robotic chemist nature.com
Nature, 2020. [All Versions]. [Preprint]. This work uses a mobile robot to search for improved photocatalysts for hydrogen production from water. The robot operated autonomously over eight days, performing 688 experiments within a ten-variable experimental space, driven by a…
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How laypeople evaluate scientific explanations containing jargon nature.com
Nature Human Behavior, 2025. [All Versions]. Individuals rely on others’ expertise to achieve a basic understanding of the world. But how can non-experts achieve understanding from explanations that, by definition, they are ill-equipped to assess? Across 9 experiments with…
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Building machines that learn and think with people nature.com
Nature Human Behavior, 2024. [All Versions]. [Preprint]. This perspective shows how the science of collaborative cognition can be put to work to engineer systems that really can be called ‘thought partners’, systems built to meet humans' expectations and complement humans…
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Intuitive physics learning in a deep-learning model inspired by developmental psychology nature.com
Nature Human Behavior, 2022. [All Versions]. A machine-learning dataset designed to evaluate conceptual understanding of intuitive physics, adopting the violation-of-expectation (VoE) paradigm from developmental psychology; a deep-learning system that learns intuitive physics…
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A manifesto for reproducible science nature.com
Nature Human Behavior, 2017. [All Versions].
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Bridging the information gap in organic chemical reactions nature.com
Nature Chemistry, 2024. [All Versions]. This perspective article formulates eight principles to improve data management in scientific publications relating to data standardization, reproducibility and evaluation, and encourage scientists to go beyond current publication…
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An autonomous portable platform for universal chemical synthesis nature.com
Nature Chemistry, 2022. [All Versions]. [Preprint]. This paper presents a portable suitcase-sized chemical synthesis platform containing all the modules required for synthesis and purification. The system uses a chemical programming language coupled to a digital reactor…
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Convergence of multiple synthetic paradigms in a universally programmable chemical synthesis machine nature.com
Nature Chemistry, 2020. [All Versions]. [Preprint]. Although the automatic synthesis of molecules has been established, each reaction class uses bespoke hardware. This means that the connection of multi-step syntheses in a single machine to run many different protocols and…
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PatCID: an open-access dataset of chemical structures in patent documents nature.com
Nature Communications, 2024. [All Versions]. The automatic analysis of patent publications has potential to accelerate research across various domains, including drug discovery and material science. Within patent documents, crucial information often resides in visual depictions…
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Structured information extraction from scientific text with large language models nature.com
Nature Communications, 2024. [All Versions]. This paper presents a simple approach to joint named entity recognition and relation extraction and demonstrate how pretrained large language models can be fine-tuned to extract useful records of complex scientific knowledge. The…
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An integrated self-optimizing programmable chemical synthesis and reaction engine nature.com
Nature Communications, 2024. [All Versions]. Robotic platforms for chemistry are developing rapidly but most systems are not currently able to adapt to changing circumstances in real-time. This paper presents a dynamically programmable system capable of making, optimizing, and…
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Nature Communications, 2023. [All Versions]. [Project]. Advances in machine learning (ML) and automated experimentation are poised to vastly accelerate research in polymer science. Data representation is a critical aspect for enabling ML integration in research workflows, yet…
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Nature Communications, 2023. [All Versions]. Closed-loop, autonomous experimentation enables accelerated and material-efficient exploration of large reaction spaces without the need for user intervention. However, autonomous exploration of advanced materials with complex…
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Synthesizing theories of human language with Bayesian program induction nature.com
Nature Communications, 2022. [All Versions]. Automated, data-driven construction and evaluation of scientific models and theories is a long-standing challenge in artificial intelligence. This work presents a framework for algorithmically synthesizing models of a basic part of…
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Inferring experimental procedures from text-based representations of chemical reactions nature.com
Nature Communications, 2021. [All Versions]. This paper presents data-driven models for predicting the entire sequence of synthesis steps starting from a textual representation of a chemical equation, for application in batch organic chemistry.
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Virtual reality in behavioral neuroscience and beyond nature.com
Nature Neuroscience, 2002. [All Versions]. A classic review on the early applications of Virtual Reality to behavioral studies.
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Functional genomic hypothesis generation and experimentation by a robot scientist nature.com
Nature, 2004. [All Versions]. This paper describes a physically implemented robotic system that applies techniques from artificial intelligence to carry out cycles of scientific experimentation. The system automatically originates hypotheses to explain observations, devises…
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Six factors affecting reproducibility in life science research and how to handle them nature.com
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Five keys to writing a reproducible lab protocol nature.com
Nature, 2021. [All Versions]. This interviewing paper introduces five ways to increase the reproducibility of experimental protocols: (i) documenting protocols as the experiment goes; (ii) providing video illustrations in addition to written protocols; (iii) using electronic…
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1,500 scientists lift the lid on reproducibility nature.com
Nature, 2016. [All Versions].
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Neuron, 2012. [All Versions].
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Infinite Latent Feature Models and the Indian Buffet Process mlg.eng.cam.ac.uk
Gatsby Computational Neuroscience Unit Technical Report 2005-001, 2005. [All Versions].
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Abduction and styles of scientific thinking link.springer.com
Synthese, 2021. [All Versions]. A computational philosophy account connecting Abduction and scientific thinking.
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Abstract Hardware Grounding Towards the Automated Design of Automation Systems link.springer.com
ICIRA'24, 2024. [All Versions]. [Preprint]. Crafting automation systems tailored for specific domains requires aligning the space of human experts’ semantics with the space of robot executable actions, and scheduling the required resources and system layout accordingly…
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Abduction, Induction, and Analogy link.springer.com
Model-Based Reasoning in Science and Technology, 2010. [All Versions]. The distinctions and relations between Abduction, Induction, and Analogy.
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Abductive Cognition: The Epistemological and Eco-Cognitive Dimensions of Hypothetical Reasoning link.springer.com
Springer, 2009. [All Versions]. Most philosophers of science in the twentieth century have concluded that no logic of creative processes exists and, moreover, that a rational model of discovery is impossible. In short, scientific creative inferences are irrational and there is…
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When to trust the data: Further investigations of system error in a scientific reasoning task link.springer.com
Memory & Cognition, 1996. [All Versions]. When evaluating experimental evidence, how do people deal with the possibility that some of the feedback is erroneous? The potential for error means that evidence evaluation must include decisions about when to “trust the data.” This…
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Do People Ask Good Questions? link.springer.com
Computational Brain & Behavior, 2018. [All Versions].
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From intention to implementation: automating biomedical research via LLMs link.springer.com
Science China Information Sciences, 2025. [All Versions]. Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly large language models (LLMs), has the…
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Abductive learning: towards bridging machine learning and logical reasoning link.springer.com
Science China Information Sciences, 2019. [All Versions].
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Toward understanding the importance of gesture in distributed scientific collaboration link.springer.com
Knowledge and Information Systems, 2006. [All Versions].
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Defending Abduction journals.uchicago.edu
Philosophy of Science, 1999. [All Versions].
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The blind men and the elephant: A metaphor to illuminate the role of researchers and reviewers in social science journals.sagepub.com
Methodological Innovations Online, 2013. [All Versions].
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