Theory
1,949 items in 14 lists
-
An agentic system for rare disease diagnosis with traceable reasoning nature.com
Nature, 2026. [All Versions]. Rare diseases affect more than 300 million people worldwide, yet timely and accurate diagnosis remains an urgent challenge. Patients often endure a prolonged ‘diagnostic odyssey’ exceeding 5 years, marked by repeated referrals, misdiagnoses and…
-
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…
-
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…
-
Mathematical discoveries from program search with large language models nature.com
Nature, 2024. [All Versions]. Large language models (LLMs) have demonstrated tremendous capabilities in solving complex tasks, from quantitative reasoning to understanding natural language. However, LLMs sometimes suffer from confabulations (or hallucinations), which can result…
-
Autonomous chemical research with large language models nature.com
Nature, 2023. [All Versions]. An artificial intelligence system driven by GPT-4 that autonomously designs, plans and performs complex experiments by incorporating large language models empowered by tools such as internet and documentation search, code execution and experimental…
-
An autonomous laboratory for the accelerated synthesis of novel materials nature.com
Nature, 2023. [All Versions]. This paper introduces the A-Lab, an autonomous laboratory for the solid-state synthesis of inorganic powders. This platform uses computations, historical data from the literature, machine learning (ML) and active learning to plan and interpret the…
-
A foundation model for generalizable disease detection from retinal images nature.com
Nature, 2023. [All Versions]. This paper presents RETFound, a foundation model for retinal images that learns generalizable representations from unlabelled retinal images and provides a basis for label-efficient model adaptation in several applications. Specifically, RETFound…
-
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…
-
Accurate medium-range global weather forecasting with 3D neural networks nature.com
Nature, 2023. [All Versions]. This paer introduces an artificial-intelligence-based method for accurate, medium-range global weather forecasting. It shows that three-dimensional deep networks equipped with Earth-specific priors are effective at dealing with complex patterns in…
-
Skilful nowcasting of extreme precipitation with NowcastNet nature.com
Nature, 2023. [All Versions].
-
Algorithm for optimized mRNA design improves stability and immunogenicity nature.com
Nature, 2023. [All Versions]. Messenger RNA (mRNA) vaccines are being used to combat the spread of COVID-19, but they still exhibit critical limitations caused by mRNA instability and degradation, which are major obstacles for the storage, distribution and efficacy of the…
-
Human–machine collaboration for improving semiconductor process development nature.com
Nature, 2023. [All Versions]. [Nature News]. This work studies Bayesian optimization algorithms to investigate how artificial intelligence (AI) might decrease the cost of developing complex semiconductor chip processes. In particular, this work create a controlled virtual…
-
People construct simplified mental representations to plan nature.com
Nature, 2022. [All Versions]. A computational account on rational problem representation in human planning.
-
Triangulation supports agricultural spread of the Transeurasian languages nature.com
Nature, 2021. [All Versions]. [Nature News]. A triangulation of linguistic, archaeological and genetic data suggests that the Transeurasian language family originated in a population of grain farmers in China around 9,000 years ago, and that agriculture underpinned its spread.
-
Highly accurate protein structure prediction with AlphaFold nature.com
Nature, 2021. [All Versions]. This paper provides the first computational method that can regularly predict protein structures with atomic accuracy even in cases in which no similar structure is known. This approach is a canonical application of observation- and explanation…
-
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…
-
Phylogenetic evidence for Sino-Tibetan origin in northern China in the Late Neolithic nature.com
Nature, 2019. [All Versions]. A Bayesian phylogenetic analysis on two competing hypotheses of the origin of the Sino-Tibetan language family suggests that the initial expansion of Sino-Tibetan languages occurred approximately 4,000–6,000 years before present (BP; taken as AD…
-
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…
-
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…
-
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…
-
Semantic projection recovers rich human knowledge of multiple object features from word embeddings nature.com
Nature Human Behavior, 2022. [All Versions]. [Preprint]. How is knowledge about word meaning represented in the mental lexicon? Current computational models infer word meanings from lexical co-occurrence patterns. They learn to represent words as vectors in a multidimensional…
-
Rational arbitration between statistics and rules in human sequence processing nature.com
Nature Human Behavior, 2022. [All Versions].
-
How young children integrate information sources to infer the meaning of words nature.com
Nature Human Behavior, 2021. [All Versions]. Before formal education begins, children typically acquire a vocabulary of thousands of words. This learning process requires the use of many different information sources in their social environment, including their current state of…
-
Rational quantitative attribution of beliefs, desires and percepts in human mentalizing nature.com
Nature Human Behavior, 2017. [All Versions]. [Preprint]. This paper presents a model of core mentalizing computations: inferring jointly an actor’s beliefs, desires and percepts from how they move in the local spatial environment. The proposed Bayesian theory of mind (BToM)…
-
A manifesto for reproducible science nature.com
Nature Human Behavior, 2017. [All Versions].
-
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…
-
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…
-
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…
-
Active learning accelerates electrolyte solvent screening for anode-free lithium metal batteries nature.com
Nature Communications, 2025. [All Versions]. Anode-free or ‘zero-excess’ lithium metal batteries offer high energy density compared to current lithium-ion batteries but require electrolyte innovation to extend cycle life. Due to the lack of universal design principles…
-
Nature Communications, 2025. [All Versions]. [Project]. Functional proteomics provides critical insights into cancer mechanisms, facilitating the discovery of novel biomarkers and therapeutic targets. The authors have developed a comprehensive cancer functional proteomics…
-
Nature Communications, 2024. [All Versions]. The material acceleration platform, empowered by robotics and artificial intelligence, is a transformative approach for expediting material discovery processes across diverse domains. However, the development of an operating system…
-
Symbolic metaprogram search improves learning efficiency and explains rule learning in humans nature.com
Nature Communications, 2024. [All Versions]. Symbolic models based on program learning successfully explain rule-learning in many domains, but performance degrades quickly as program complexity increases. It remains unclear how to scale symbolic rule-learning methods to model…
-
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…
-
A human-machine interface for automatic exploration of chemical reaction networks nature.com
Nature Communications, 2024. [All Versions]. Autonomous reaction network exploration algorithms offer a systematic approach to explore mechanisms of complex chemical processes. However, the resulting reaction networks are so vast that an exploration of all potentially…
-
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…
-
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…
-
A dynamic knowledge graph approach to distributed self-driving laboratories nature.com
Nature Communications, 2024. [All Versions]. This work employs ontologies to capture data and material flows in design-make-test-analyse cycles, utilising autonomous agents as executable knowledge components to carry out the experimentation workflow. Data provenance is recorded…
-
Nature Communications, 2023. [All Versions]. This paper introduces a transformer model for automated synthesis protocol analysis in catalyst discovery, exemplified using single-atom heterogeneous catalysts (SACs), a rapidly expanding catalyst family. The model adeptly converts…
-
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…
-
Nature Communications, 2023. [All Versions]. Retrosynthesis planning, the process of identifying a set of available reactions to synthesize the target molecules, remains a major challenge in organic synthesis. Recently, computer-aided synthesis planning has gained renewed…
-
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…
-
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…
-
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.
-
Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence nature.com
Nature Communications, 2021. [All Versions]. This paper addresses the problem of new Single-atom-alloy catalysts (SAACs) discovery by applying a compressed-sensing data-analytics approach parameterized with density-functional inputs.
-
Automated extraction of chemical synthesis actions from experimental procedures nature.com
Nature Communications, 2020. [All Versions]. This paper presents a method to convert unstructured experimental procedures written in English to structured synthetic steps (action sequences) reflecting all the operations needed to successfully conduct the corresponding chemical…
-
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.
-
The BioPAX community standard for pathway data sharing nature.com
Nature Biotechnology, 2010. [All Versions]. [Preprint]. Biological Pathway Exchange (BioPAX) is a standard language to represent biological pathways at the molecular and cellular level and to facilitate the exchange of pathway data. BioPAX can represent metabolic and signaling…
-
Natural speech reveals the semantic maps that tile human cerebral cortex nature.com
Nature, 2016. [All Versions]. [Preprint]. [Code & Tutorial]. The meaning of language is represented in regions of the cerebral cortex collectively known as the ‘semantic system’. However, little of the semantic system has been mapped comprehensively, and the semantic…
-
Probabilistic machine learning and artificial intelligence nature.com
Nature, 2015. [All Versions]. Probabilistic modelling provides a framework for understanding what learning is, and has therefore emerged as one of the principal theoretical and practical approaches for designing machines that learn from data acquired through experience. The…
-
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…
- next page of items loading…
