Metadata (or metainformation) is data (or information) that defines and describes the characteristics of other data. It often helps to describe, explain, locate, or otherwise make data easier to retrieve, use, or manage. For example, the title, author, and publication date of a book are metadata about the book. But, while a data asset is finite, its metadata is infinite. As such, efforts to define, classify types, or structure metadata are expressed as examples in the context of its use. The term "metadata" has a history dating to the 1960s where it occurred in computer science and in popular culture. Different types of metadata serve different functions. For example, descriptive metadata for a document might include the author, creation date, file size and keywords. Metadata has various purposes. It can help users find relevant information and discover resources. It can also help organize electronic resources, provide digital identification, and archive and preserve resources. Metadata allows users to access resources by "allowing resources to be found by relevant criteria, identifying resources, bringing similar resources together, distinguishing dissimilar resources, and giving location information". Metadata of telecommunication activities including Internet traffic is very widely collected by various national governmental organizations. This data is used for the purposes of traffic analysis and can be used for mass surveillance. Unique metadata standards exist for different disciplines (e.g., museum collections, digital audio files, websites, etc.). Describing the contents and context of data or data files increases its usefulness. For example, a web page may include metadata specifying what software language the page is written in (e.g., HTML), what tools were used to create it, what subjects the page is about, and where to find more information about the subject. This metadata can automatically improve the reader's experience and make it easier for users to find the web page online. A CD may include metadata providing information about the musicians, singers, and songwriters whose work appears on the disc. In many countries, government organizations routinely store metadata about emails, telephone calls, web pages, video traffic, IP connections, and cell phone locations. == Types == There are many distinct types of metadata, including: Descriptive metadata – the descriptive information about a resource. It is used for discovery and identification. It includes elements such as title, abstract, author, and keywords. Structural metadata – metadata about containers of data and indicates how compound objects are put together, for example, how pages are ordered to form chapters. It describes the types, versions, relationships, and other characteristics of digital materials. Administrative metadata – the information to help manage a resource, like resource type, and permissions, and when and how it was created. Reference metadata – the information about the contents and quality of statistical data. Statistical metadata – also called process data, may describe processes that collect, process, or produce statistical data. Legal metadata – provides information about the creator, copyright holder, and public licensing, if provided. Metadata is not strictly bound to one of these categories, as it can describe a piece of data in many other ways. While the metadata application is manifold, covering a large variety of fields, there are specialized and well-accepted models to specify types of metadata. Bretherton & Singley (1994) distinguish between two distinct classes: structural/control metadata and guide metadata. Structural metadata describes the structure of database objects such as tables, columns, keys and indexes. Guide metadata helps humans find specific items and is usually expressed as a set of keywords in a natural language. According to Ralph Kimball, metadata can be divided into three categories: technical metadata (or internal metadata), business metadata (or external metadata), and process metadata. Dan Linstedt, creator of the data vault methodology, says business metadata "...provide[s] definition of the functionality, definition of the data, definition of the elements, and definition of how the data is used within business...business metadata includes business requirements, time-lines, business metrics, business process flows, and business terminology." Business metadata is important because it can greatly facilitate the usefulness of the data to business people. A simple example of business metadata is a glossary entry. Hover functionality in an application or web form can enable a glossary definition to be shown when cursor is on a field or term. Other examples of business metadata include annotation ability within applications. For example, a business user may be viewing a business intelligence (BI) report and notice a trend in the data. The user may have background knowledge as to why this trend occurs. Some business intelligence tools enable the user to create an annotation within the report that explains the trend. Such an annotation can enhance other users' understanding of the data. This example is especially powerful because it is created by a business user for the use of other business people. NISO distinguishes three types of metadata: descriptive, structural, and administrative. Descriptive metadata is typically used for discovery and identification, as information to search and locate an object, such as title, authors, subjects, keywords, and publisher. Structural metadata describes how the components of an object are organized. An example of structural metadata would be how pages are ordered to form chapters of a book. Finally, administrative metadata gives information to help manage the source. Administrative metadata refers to the technical information, such as file type, or when and how the file was created. Two sub-types of administrative metadata are rights management metadata and preservation metadata. Rights management metadata explains intellectual property rights, while preservation metadata contains information to preserve and save a resource. Statistical data repositories have their own requirements for metadata in order to describe not only the source and quality of the data but also what statistical processes were used to create the data, which is of particular importance to the statistical community in order to both validate and improve the process of statistical data production. An additional type of metadata beginning to be more developed is accessibility metadata. Accessibility metadata is not a new concept to libraries; however, advances in universal design have raised its profile. Projects like Cloud4All and GPII identified the lack of common terminologies and models to describe the needs and preferences of users and information that fits those needs as a major gap in providing universal access solutions. Those types of information are accessibility metadata. The Schema.org website has incorporated several accessibility properties based on IMS Global Access for All Information Model Data Element Specification. While the efforts to describe and standardize the varied accessibility needs of information seekers are beginning to become more robust, their adoption into established metadata schemas has not been as developed. For example, while Dublin Core (DC)'s "audience" and MARC 21's "reading level" could be used to identify resources suitable for users with dyslexia and DC's "format" could be used to identify resources available in braille, audio, or large print formats, there is more work to be done. == History == Metadata was traditionally used in the card catalogs of libraries until the 1980s when libraries converted their catalog data to digital databases. In the 2000s, as data and information were increasingly stored digitally, this digital data was described using metadata standards. An early description of "meta data" for computer systems was written by David Griffel and Stuart McIntosh at the MIT Center for International Studies in 1967: "In summary then, we have statements in an object language about subject descriptions of data and token codes for the data. We also have statements in a meta language describing the data relationships and transformations, and ought/is relations between norm and data." == Definition == Metadata means "data about data". Metadata is defined as the data providing information about one or more aspects of the data; it is used to summarize basic information about data that can make tracking and working with specific data easier. Some examples include: Means of creation of the data Source of the data Time and date of creation Creator or author of the data Location on a computer network where the data was created Standards used Data quality For example, a digital image may include metadata that describes the size of the image, its color depth, resolution,
Common Image Generator Interface
The Common Image Generator Interface (CIGI) (pronounced sig-ee), is an on-the-wire data protocol that allows communication between an Image Generator and its host simulation. The interface is designed to promote a standard way for a host device to communicate with an image generator (IG) within the industry. CIGI enables plug-and-play by standard-compliant image generator vendors and reduces integration costs when upgrading visual systems. == Background == Most high-end simulators do not have everything running on a single machine the way popular home software flight simulators are currently implemented. The airplane model is run on one machine, normally referred to as the host, and the out the window visuals or scene graph program is run on another, usually referred to as an Image Generator (IG). Frequently there are multiple IGs required to display the surrounding environment created by a host. CIGI is the interface between the 'host' and the IGs. The main goal of CIGI is to capitalize on previous investments through the use of a common interface. CIGI is designed to assist suppliers and integrators of IG systems with ease of integration, code reuse, and overall cost reduction. In the past most image generators provided their own proprietary interface; every host had to implement that interface making changing image generators a costly ordeal. CIGI was created to standardize the interface between the host and the image generator so that little modification would be needed to switch image generators. The CIGI initiative was largely spearheaded by The Boeing Company during the early 21st century. The latest version of CIGI (CIGI 4.0) was developed by the Simulation Interoperability Standards Organization (SISO) in the form of SISO-STD-013-2014, Standard for Common Image Generator Interface (CIGI), Version 4.0, dated 22 August 2014. SISO-STD-013-2014 is freely available from SISO. == Definitions == Image generator – In this context an image generator consists of one or more rendering channels that produce an image that can be used to visualize an “Out-The-Window” scene, or images produced by various sensor simulations such as Infra-red, Day TV, electro-optical, and night vision. Host simulation – In this context a “Host” is the computational system that provides information about the device being simulated so that the image generator can portray the correct scenery to the user. This information is passed via CIGI to the image generator. == Maturation == CIGI 4 is the latest version of the standard as was approved by the Simulation Interoperability Standards Organization on August 22, 2014. CIGI became an international SISO standard known as SISO-STD-013-2014; which contains the CIGI version 4.0 Interface Control Document (ICD). CIGI 4.0 is the official standard, published by SISO. Previous versions of CIGI were spearheaded by Boeing include CIGI v3.3, in November 2008, v3.2 April 2006, v3.1 June 2004, v3 November 2003, v2 in March 2002, and the original (v1) in March 2001 == Protocol dependencies == Typically, CIGI uses UDP as its transport protocol, but CIGI does not require a specific transport mechanism, only packet definition conformance. CIGI traffic does not have a well known port; however, the use of ports 8004-8005 has been widely adopted by commercial image generator vendors implementations. == Development tools == === Host Emulator === The Host Emulator can be used as a surrogate to manipulate the interface when a simulation Host is not available. It is a Windows-based image generator Host application used to develop, integrate and test image generators that use the CIGI protocol. It provides a graphical user interface (GUI) for the creation, modification and deletion of entities; manipulation of views; control of environmental attributes and phenomena; and other host functions. The Host Emulator has several features that are useful for integration and testing. A free-flight mode allows for fixed-wing and rotorcraft flight, movement along entity axes and free rotation using a joystick or a joystick-like widget. Scripting and record/playback features support regression testing, demonstrations and other tasks needing exact reproduction of certain sequences of events. A packet-level snoop feature allows the user to examine the contents of CIGI messages, image generator response times and latencies. A Heartbeat Monitor Window shows a graphical timing history of the Image Generator's data frame rate. Other features include explicit packet creation, animation control, missile flyouts and a situation display window (Host Emulator 3.x only). === Multi-Purpose Viewer === The Multi-Purpose Viewer (MPV) provides the basic functionality expected of an Image Generator, such as loading and displaying a terrain database, displaying entities and so forth. The Multi-Purpose Viewer can be used as a surrogate to manipulate the interface when a real Image Generator is not available. The MPV is capable of operating with both the Windows and Linux operating systems. === CIGI Class Library === The CCL is an object-oriented software interface that automatically handles message composition and decomposition (i.e. packing, unpacking and byte swapping to the ICD specification) on both the Host and Image Generator sides of the interface. The CCL interprets Host or Image Generator messages based on compile time parameters. It also performs error handling and translation between different versions of CIGI. Each packet type has its own class. The individual packet members are accessed through packet class accessors. Outgoing messages are constructed by placing each packet into the outgoing buffer using a streaming operator. Incoming messages are parsed using callback or event-based mechanisms that supply the using program with fully populated packet objects. === Current tool suite === A set of CIGI development tools are managed and maintained by the SISO CIGI Product Support Group. The latest packages are available on SourceForge. Comments/Suggestions to the package can be directed to the SISO discussion board at: https://discussions.sisostds.org/index.htm?A0=SAC-PSG-CIGI Archived 2017-09-13 at the Wayback Machine === Wireshark === Wireshark is a free and open source packet analyzer. It is used for network troubleshooting, analysis, software and communications protocol development, and education. Wireshark provides a dissector for CIGI packets. As of October 2016, “The CIGI dissector is fully functional for CIGI version 2 and 3. Version 1 is not yet implemented.” === Older versions of CIGI === A CIGI Interface Control Document (ICD) and development suite is available in open source format. The tools, ICD, and accompanying user documentation can be found and downloaded from the CIGI sourceforge web site. The SourceForge version of the MPV is limited in its support of CIGI data packets and is intended to grow as needs arise. The MPV uses CIGI 3 as its interface, but the MPV is backward-compatible with earlier CIGI versions through the use of the CCL. The MPV uses the Open Scene Graph library to render a scene. The scene graph is manipulated according to the CIGI commands received from the Host via the CCL. The MPV itself is an application layer that consists of a small kernel leveraging heavily on a plug-in architecture for ease of maintainability and flexibility. An implementer can implement the interface from scratch, however a full suite of integration tools is available. These tools consist of three elements. The Host Emulator (HE), the Multi-Purpose Viewer (MPV), and the CIGI Class Library (CCL).
Curse of dimensionality
The curse of dimensionality refers to various phenomena that arise when analyzing and organizing data in high-dimensional spaces that do not occur in low-dimensional settings such as the three-dimensional physical space of everyday experience. The expression was coined by Richard E. Bellman when considering problems in dynamic programming. The curse generally refers to issues that arise when the number of datapoints is small (in a suitably defined sense) relative to the intrinsic dimension of the data. Dimensionally cursed phenomena occur in domains such as numerical analysis, sampling, combinatorics, machine learning, data mining and databases. The common theme of these problems is that when the dimensionality increases, the volume of the space increases so fast that the available data becomes sparse. In order to obtain a reliable result, the amount of data needed often grows exponentially with the dimensionality. Also, organizing and searching data often relies on detecting areas where objects form groups with similar properties; in high dimensional data, however, all objects appear to be sparse and dissimilar in many ways, which prevents common data organization strategies from being efficient. == Domains == === Combinatorics === In some problems, each variable can take one of several discrete values, or the range of possible values is divided to give a finite number of possibilities. Taking the variables together, a huge number of combinations of values must be considered. This effect is also known as the combinatorial explosion. Even in the simplest case of d {\displaystyle d} binary variables, the number of possible combinations already is 2 d {\displaystyle 2^{d}} , exponential in the dimensionality. Naively, each additional dimension doubles the effort needed to try all combinations. === Sampling === There is an exponential increase in volume associated with adding extra dimensions to a mathematical space. For example, 102 = 100 evenly spaced sample points suffice to sample a unit interval (try to visualize a "1-dimensional" cube, i.e. a line) with no more than 10−2 = 0.01 distance between points; an equivalent sampling of a 10-dimensional unit hypercube with a lattice that has a spacing of 10−2 = 0.01 between adjacent points would require 1020 = [(102)10] sample points. In general, with a spacing distance of 10−n the 10-dimensional hypercube appears to be a factor of 10n(10−1) = [(10n)10/(10n)] "larger" than the 1-dimensional hypercube, which is the unit interval. In the above example n = 2: when using a sampling distance of 0.01 the 10-dimensional hypercube appears to be 1018 "larger" than the unit interval. This effect is a combination of the combinatorics problems above and the distance function problems explained below. === Optimization === When solving dynamic optimization problems by numerical backward induction, the objective function must be computed for each combination of values. This is a significant obstacle when the dimension of the "state variable" is large. === Machine learning === In machine learning problems that involve learning a "state-of-nature" from a finite number of data samples in a high-dimensional feature space with each feature having a range of possible values, typically an enormous amount of training data is required to ensure that there are several samples with each combination of values. In an abstract sense, as the number of features or dimensions grows, the amount of data we need to generalize accurately grows exponentially. A typical rule of thumb is that there should be at least 5 training examples for each dimension in the representation. In machine learning and insofar as predictive performance is concerned, the curse of dimensionality is used interchangeably with the peaking phenomenon, which is also known as Hughes phenomenon. This phenomenon states that with a fixed number of training samples, the average (expected) predictive power of a classifier or regressor first increases as the number of dimensions or features used is increased but beyond a certain dimensionality it starts deteriorating instead of improving steadily. Nevertheless, in the context of a simple classifier (e.g., linear discriminant analysis in the multivariate Gaussian model under the assumption of a common known covariance matrix), Zollanvari et al. showed both analytically and empirically that as long as the relative cumulative efficacy of an additional feature set (with respect to features that are already part of the classifier) is greater (or less) than the size of this additional feature set, the expected error of the classifier constructed using these additional features will be less (or greater) than the expected error of the classifier constructed without them. In other words, both the size of additional features and their (relative) cumulative discriminatory effect are important in observing a decrease or increase in the average predictive power. In metric learning, higher dimensions can sometimes allow a model to achieve better performance. After normalizing embeddings to the surface of a hypersphere, FaceNet achieves the best performance using 128 dimensions as opposed to 64, 256, or 512 dimensions in one ablation study. A loss function for unitary-invariant dissimilarity between word embeddings was found to be minimized in high dimensions. === Data mining === In data mining, the curse of dimensionality refers to a data set with too many features. Consider the first table, which depicts 200 individuals and 2000 genes (features) with a 1 or 0 denoting whether or not they have a genetic mutation in that gene. A data mining application to this data set may be finding the correlation between specific genetic mutations and creating a classification algorithm such as a decision tree to determine whether an individual has cancer or not. A common practice of data mining in this domain would be to create association rules between genetic mutations that lead to the development of cancers. To do this, one would have to loop through each genetic mutation of each individual and find other genetic mutations that occur over a desired threshold and create pairs. They would start with pairs of two, then three, then four until they result in an empty set of pairs. The complexity of this algorithm can lead to calculating all permutations of gene pairs for each individual or row. Given the formula for calculating the permutations of n items with a group size of r is: n ! ( n − r ) ! {\displaystyle {\frac {n!}{(n-r)!}}} , calculating the number of three pair permutations of any given individual would be 7988004000 different pairs of genes to evaluate for each individual. The number of pairs created will grow by an order of factorial as the size of the pairs increase. The growth is depicted in the permutation table (see right). As we can see from the permutation table above, one of the major problems data miners face regarding the curse of dimensionality is that the space of possible parameter values grows exponentially or factorially as the number of features in the data set grows. This problem critically affects both computational time and space when searching for associations or optimal features to consider. Another problem data miners may face when dealing with too many features is that the number of false predictions or classifications tends to increase as the number of features grows in the data set. In terms of the classification problem discussed above, keeping every data point could lead to a higher number of false positives and false negatives in the model. This may seem counterintuitive, but consider the genetic mutation table from above, depicting all genetic mutations for each individual. Each genetic mutation, whether they correlate with cancer or not, will have some input or weight in the model that guides the decision-making process of the algorithm. There may be mutations that are outliers or ones that dominate the overall distribution of genetic mutations when in fact they do not correlate with cancer. These features may be working against one's model, making it more difficult to obtain optimal results. This problem is up to the data miner to solve, and there is no universal solution. The first step any data miner should take is to explore the data, in an attempt to gain an understanding of how it can be used to solve the problem. One must first understand what the data means, and what they are trying to discover before they can decide if anything must be removed from the data set. Then they can create or use a feature selection or dimensionality reduction algorithm to remove samples or features from the data set if they deem it necessary. One example of such methods is the interquartile range method, used to remove outliers in a data set by calculating the standard deviation of a feature or occurrence. === Distance function === When a measure such as a Euclidean distance is defined using many coordinat
Automated medical scribe
Automated medical scribes (also called artificial intelligence scribes, AI scribes, digital scribes, virtual scribes, ambient AI scribes, AI documentation assistants, and digital/virtual/smart clinical assistants) are tools for transcribing medical speech, such as patient consultations and dictated medical notes. Many also produce summaries of consultations. Automated medical scribes based on large language models (LLMs, commonly called "AI", short for "artificial intelligence") increased drastically in popularity in 2024. There are privacy and antitrust concerns. Accuracy concerns also exist, and intensify in situations in which tools try to go beyond transcribing and summarizing, and are asked to format information by its meaning, since LLMs do not deal well with meaning (see weak artificial intelligence). Medics using these scribes are generally expected to understand the ethical and legal considerations, and supervise the outputs. The privacy protections of automated medical scribes vary widely. While it is possible to do all the transcription and summarizing locally, with no connection to the internet, most closed-source providers require that data be sent to their own servers over the internet, processed there, and the results sent back (as with digital voice assistants). Some retailers say their tools use zero-knowledge encryption (meaning that the service provider can't access the data). Others explicitly say that they use patient data to train their AIs, or rent or resell it to third parties; the nature of privacy protections used in such situations is unclear, and they are likely not to be fully effective. Most providers have not published any safety or utility data in academic journals, and are not responsive to requests from medical researchers studying their products. == Privacy == Some providers unclear about what happens to user data. Some may sell data to third parties. Some explicitly send user data to for-profit tech companies for secondary purposes, which may not be specified. Some require users to sign consents to such reuse of their data. Some ingest user data to train the software, promising to anonymize it; however, deanonymization may be possible (that is, it may become obvious who the patient is). It is intrinsically impossible to prevent an LLM from correlating its inputs; they work by finding similar patterns across very large data sets. Some information on the patient will be known from other sources (for instance, information that they were injured in an incident on a certain day might be available from the news media; information that they attended specific appointment locations at specific times is probably available to their cellphone provider/apps/data brokers; information about when they had a baby is probably implied by their online shopping records; and they might mention lifestyle changes to their doctor and on a forum or blog). The software may correlate such information with the "anonymized" clinical consultation record, and, asked about the named patient, provide information which they only told their doctor privately. Because a patient's record is all about the same patient, it is all unavoidably linked; in very many cases, medical histories are intrinsically identifiable. Depending on how common a condition and what other data is available, K-anonymity may be useless. Differential privacy could theoretically preserve privacy. Data broker companies like Google, Amazon, Apple and Microsoft have produced or bought up medical scribes, some of which use user data for secondary purposes, which has led to antitrust concerns. Transfer of patient records for AI training has, in the past, prompted legal action. Open-source programs typically do all the transcription locally, on the doctor's own computer. Open-source software is widely used in healthcare, with some national public healthcare bodies holding hack days. === Data resale and commercialization === Several AI medical scribe providers include terms in their service agreements that allow the reuse, sale, or commercialization of de-identified or user-submitted data. Although such data are generally described as anonymized or aggregated, these practices have raised ethical concerns among clinicians and privacy advocates regarding secondary uses of medical information beyond clinical documentation. Freed, an AI transcription and scribe platform, states in its Terms of Use that it may "collect, use, publish, disseminate, sell, transfer, and otherwise exploit" de-identified and aggregated data derived from user inputs. OpenEvidence similarly states that it may "collect, use, transfer, sell, and disclose non-personal information and customer usage data for any purpose including commercial uses." Doximity, which offers an AI-enabled medical scribe as part of its physician platform, grants itself a "nonexclusive, irrevocable, worldwide, perpetual, unlimited, assignable, sublicensable, royalty-free" license to "copy, prepare derivative works from, improve, distribute, publish, ... analyze, index, tag, [and] commercialize" content submitted by users, subject to its privacy policy. Because these terms allow broad secondary use—including sale, licensing, model-training, derivative works, and commercial exploitation of de-identified or user-submitted data—some commentators have recommended that clinicians review data-handling provisions carefully when adopting AI-scribe tools, particularly in clinical environments where patient privacy and regulatory compliance are critical. === Encryption === Multifactor authentication for access to the data is expected practice. Typically, Diffie–Hellman key exchange is used for encryption; this is the standard method commonly used for things like online banking. This encryption is expensive but not impossible to break; it is not generally considered safe against eavesdroppers with the resources of a nation-state. If content is encrypted between the client and the service provider's remote server (transport cryptography), then the server has an unencrypted copy. This is necessary if the data is used by the service provider (for instance, to train the software). Zero-knowledge encryption implies that the only unencrypted copy is at the client, and the server cannot decrypt the data any more easily than a monster-in-the-middle attacker. == Platforms == Scribes may operate on desktops, laptop, or mobile computers, under a variety of operating systems. These vary in their risks; for instance, mobiles can be lost. The underlying mobile or desktop operating systems are also part of the trusted computing base, and if they are not secure, the software relying on them cannot be secure either. Some AI medical scribe platforms are designed to operate as cloud-based applications that generate structured clinical documentation from clinician–patient conversations. These systems may offer features such as real-time transcription, document generation, and integration with electronic health record (EHR) systems. == Confabulation, omissions, and other errors == Like other LLMs, medical-scribe LLMs are prone to hallucinations, where they make up content based on statistically associations between their training data and the transcription audio. LLMs do not distinguish between trying to transcribe the audio and guessing what words will come next, but perform both processes mixed together. They are especially likely to take short silences or non-speech noises and invent some sort of speech to transcribe them as. LLM medical scribes have been known to confabulate racist and otherwise prejudiced content; this is partly because the training datasets of many LLMs contain pseudoscientific texts about medical racism. They may misgender patients. A survey found that most doctors preferred, in principle, that scribes be trained on data reviewed by medical subject experts. Relevant, accurate training data increases the probability of an accurate transcription, but does not guarantee accuracy. Software trained on thousands of real clinical conversations generated transcripts with lower word error rates. Software trained on manually-transcribed training data did better than software trained with automatically transcribed training data such as YouTube captions. Autoscribes omit parts of the conversation classes as irrelevant. The may wrongly classify pertinent information as irrelevant and omit it. They may also confuse historic and current symptoms, or otherwise misclassify information. They may also simply wrongly transcribe the speech, writing something incorrect instead. If clinicians do not carefully check the recording, such mistakes could make their way into their medical records and cause patient harms. == Patient consent == Professional organizations generally require that scribes be used only with patient consent; some bodies may require written consent. Medics must also abide by local surveillance laws, which may criminalize recording pri
Weak artificial intelligence
Weak artificial intelligence (weak AI) is artificial intelligence that implements a limited part of the mind, or, as narrow AI, artificial narrow intelligence (ANI), is focused on one narrow task. Weak AI is contrasted with strong AI, which can be interpreted in various ways: Artificial general intelligence (AGI): a machine with the ability to apply intelligence to any problem, rather than just one specific problem. Artificial superintelligence (ASI): a machine with a vastly superior intelligence to the average human being. Artificial consciousness: a machine that has consciousness, sentience and mind (John Searle uses "strong AI" in this sense). Narrow AI can be classified as being "limited to a single, narrowly defined task. Most modern AI systems would be classified in this category." Artificial general intelligence is conversely the opposite. == Applications and risks == Some examples of narrow AI are AlphaGo, self-driving cars, robot systems used in the medical field, and diagnostic doctors. Narrow AI systems are sometimes dangerous if unreliable. And the behavior that it follows can become inconsistent. It could be difficult for the AI to grasp complex patterns and get to a solution that works reliably in various environments. This "brittleness" can cause it to fail in unpredictable ways. Narrow AI failures can sometimes have significant consequences. It could for example cause disruptions in the electric grid, damage nuclear power plants, cause global economic problems, and misdirect autonomous vehicles. Medicines could be incorrectly sorted and distributed. Also, medical diagnoses can ultimately have serious and sometimes deadly consequences if the AI is faulty or biased. Simple AI programs have already worked their way into society, oftentimes unnoticed by the public. Autocorrection for typing, speech recognition for speech-to-text programs, and vast expansions in the data science fields are examples. Narrow AI has also been the subject of some controversy, including resulting in unfair prison sentences, discrimination against women in the workplace for hiring, resulting in death via autonomous driving, among other cases. Despite being "narrow" AI, recommender systems are efficient at predicting user reactions based on their posts, patterns, or trends. For instance, TikTok's "For You" algorithm can determine a user's interests or preferences in less than an hour. Some other social media AI systems are used to detect bots that may be involved in propaganda or other potentially malicious activities. == Weak AI versus strong AI == John Searle contests the possibility of strong AI (by which he means conscious AI). He further believes that the Turing test (created by Alan Turing and originally called the "imitation game", used to assess whether a machine can converse indistinguishably from a human) is not accurate or appropriate for testing whether an AI is "strong". Scholars such as Antonio Lieto have argued that the current research on both AI and cognitive modelling are perfectly aligned with the weak-AI hypothesis (that should not be confused with the "general" vs "narrow" AI distinction) and that the popular assumption that cognitively inspired AI systems espouse the strong AI hypothesis is ill-posed and problematic since "artificial models of brain and mind can be used to understand mental phenomena without pretending that that they are the real phenomena that they are modelling" (as, on the other hand, implied by the strong AI assumption).
Machine-learned interatomic potential
Machine-learned interatomic potentials (MLIPs), or simply machine learning potentials (MLPs), are interatomic potentials constructed using machine learning. Beginning in the 1990s, researchers have employed such programs to construct interatomic potentials by mapping atomic structures to their potential energies. These potentials are referred to as MLIPs or MLPs. Such machine learning potentials promised to fill the gap between density functional theory, a highly accurate but computationally intensive modelling method, and empirically derived or intuitively-approximated potentials, which were far lighter computationally but substantially less accurate. Improvements in artificial intelligence technology heightened the accuracy of MLPs while lowering their computational cost, increasing the role of machine learning in fitting potentials. Machine learning potentials began by using neural networks to tackle low-dimensional systems. While promising, these models could not systematically account for interatomic energy interactions; they could be applied to small molecules in a vacuum, or molecules interacting with frozen surfaces, but not much else – and even in these applications, the models often relied on force fields or potentials derived empirically or with simulations. These models thus remained confined to academia. Modern neural networks construct highly accurate and computationally light potentials, as theoretical understanding of materials science was increasingly built into their architectures and preprocessing. Almost all are local, accounting for all interactions between an atom and its neighbor up to some cutoff radius. There exist some nonlocal models, but these have been experimental for almost a decade. For most systems, reasonable cutoff radii enable highly accurate results. Almost all neural networks intake atomic coordinates and output potential energies. For some, these atomic coordinates are converted into atom-centered symmetry functions. From this data, a separate atomic neural network is trained for each element; each atomic network is evaluated whenever that element occurs in the given structure, and then the results are pooled together at the end. This process – in particular, the atom-centered symmetry functions which convey translational, rotational, and permutational invariances – has greatly improved machine learning potentials by significantly constraining the neural network search space. Other models use a similar process but emphasize bonds over atoms, using pair symmetry functions and training one network per atom pair. Other models to learn their own descriptors rather than using predetermined symmetry-dictating functions. These models, called message-passing neural networks (MPNNs), are graph neural networks. Treating molecules as three-dimensional graphs (where atoms are nodes and bonds are edges), the model takes feature vectors describing the atoms as input, and iteratively updates these vectors as information about neighboring atoms is processed through message functions and convolutions. These feature vectors are then used to predict the final potentials. The flexibility of this method often results in stronger, more generalizable models. In 2017, the first-ever MPNN model (a deep tensor neural network) was used to calculate the properties of small organic molecules. == Gaussian Approximation Potential (GAP) == One popular class of machine-learned interatomic potential is the Gaussian Approximation Potential (GAP), which combines compact descriptors of local atomic environments with Gaussian process regression to machine learn the potential energy surface of a given system. To date, the GAP framework has been used to successfully develop a number of MLIPs for various systems, including for elemental systems such as carbon, silicon, phosphorus, and tungsten, as well as for multicomponent systems such as Ge2Sb2Te5 and austenitic stainless steel, Fe7Cr2Ni. == Equivariant graph neural networks == A significant limitation of early MPNNs was that they were not inherently equivariant to rotations and reflections of atomic structures — meaning predictions could change depending on how a molecule was oriented in space. Beginning around 2021, a new class of models addressed this by incorporating equivariance directly into the message-passing layers using spherical harmonics and irreducible representations. Notable examples include NequIP (2021), MACE (2022), and GemNet-OC (2022). These equivariant architectures proved substantially more data-efficient and accurate than their predecessors, and became the dominant paradigm for high-accuracy MLIPs. == Universal MLIPs and large-scale datasets == Early MLIPs were system-specific, trained on a few thousand structures of a single material. A major shift occurred with the creation of large, chemically diverse datasets enabling models that generalize across many elements, bonding environments, and application domains — so-called universal MLIPs. A key driver was the Open Catalyst Project (OC20, OC22), a collaboration between Meta AI (FAIR) and Carnegie Mellon University launched in 2020. OC20 comprises approximately 1.3 million DFT relaxations across 82 elements, designed to accelerate the discovery of catalysts for renewable energy applications. It was among the first datasets large enough to train GNNs that generalize across diverse chemical systems, and established a widely-used benchmark for the field. A subsequent dataset, Open Direct Air Capture (OpenDAC 2023 and OpenDAC 2025), applied the same approach to carbon capture, providing a large computational database of metal-organic frameworks and sorbent candidates evaluated for CO₂ capture, generated using nearly 400 million CPU hours of quantum chemistry calculations in collaboration with Georgia Tech. These datasets revealed a new challenge: the GNN architectures most effective for atomic simulations were memory-intensive, as they model higher-order interactions between triplets or quadruplets of atoms, making it difficult to scale model size. Graph Parallelism, introduced by Sriram et al. (ICLR 2022), addressed this by distributing a single input graph across multiple GPUs — a distinct strategy from data parallelism (which distributes training examples) or model parallelism (which distributes layers). This enabled training GNNs with hundreds of millions to billions of parameters for the first time. Building on these foundations, Meta FAIR released the Universal Model for Atoms (UMA) in 2025, trained on approximately 500 million unique 3D atomic structures spanning molecules, materials, and catalysts — the largest training run to date for an MLIP. UMA introduced a Mixture of Linear Experts (MoLE) architecture, enabling one model to learn from datasets generated by different DFT codes and settings without significant inference overhead. It matches or surpasses specialized models across catalysis, materials, and molecular benchmarks without task-specific fine-tuning, and has been described as marking a "pre/post-UMA" divide in the field. == Applications == Catalyst discovery: MLIPs have significantly accelerated the computational screening of heterogeneous catalysts by replacing expensive DFT relaxations with fast neural network surrogates. The Open Catalyst Project explicitly targets this application, aiming to identify new catalysts for green hydrogen production and other renewable energy reactions. Carbon capture: The OpenDAC project applies universal MLIPs to screening sorbent materials for direct air capture of CO₂, a key technology for climate change mitigation. AI-accelerated screening allows evaluation of orders of magnitude more candidate materials than traditional DFT workflows. Drug discovery and molecular design: MLIPs are increasingly used in pharmaceutical research to model molecular conformations and binding energies. The Open Molecules 2025 (OMol25) dataset, released by Meta FAIR in 2025, provides high-accuracy calculations for a large set of molecular systems to support this use case. Materials discovery: Universal MLIPs enable high-throughput screening of novel inorganic materials, including battery electrolytes, semiconductors, and superconductors, by rapidly estimating stability and properties across large chemical spaces.
Learning rate
In machine learning and statistics, the learning rate is a tuning parameter in an optimization algorithm that determines the step size at each iteration while moving toward a minimum of a loss function. Since it influences to what extent newly acquired information overrides old information, it metaphorically represents the speed at which a machine learning model "learns". In the adaptive control literature, the learning rate is commonly referred to as gain. In setting a learning rate, there is a trade-off between the rate of convergence and overshooting. While the descent direction is usually determined from the gradient of the loss function, the learning rate determines how big a step is taken in that direction. Too high a learning rate will make the learning jump over minima, but too low a learning rate will either take too long to converge or get stuck in an undesirable local minimum. In order to achieve faster convergence, prevent oscillations and getting stuck in undesirable local minima the learning rate is often varied during training either in accordance to a learning rate schedule or by using an adaptive learning rate. The learning rate and its adjustments may also differ per parameter, in which case it is a diagonal matrix that can be interpreted as an approximation to the inverse of the Hessian matrix in Newton's method. The learning rate is related to the step length determined by inexact line search in quasi-Newton methods and related optimization algorithms. == Learning rate schedule == Initial rate can be left as system default or can be selected using a range of techniques. A learning rate schedule changes the learning rate during learning and is most often changed between epochs/iterations. This is mainly done with two parameters: decay and momentum. There are many different learning rate schedules but the most common are time-based, step-based and exponential. Decay serves to settle the learning in a nice place and avoid oscillations, a situation that may arise when too high a constant learning rate makes the learning jump back and forth over a minimum, and is controlled by a hyperparameter. Momentum is analogous to a ball rolling down a hill; we want the ball to settle at the lowest point of the hill (corresponding to the lowest error). Momentum both speeds up the learning (increasing the learning rate) when the error cost gradient is heading in the same direction for a long time and also avoids local minima by 'rolling over' small bumps. Momentum is controlled by a hyperparameter analogous to a ball's mass which must be chosen manually—too high and the ball will roll over minima which we wish to find, too low and it will not fulfil its purpose. The formula for factoring in the momentum is more complex than for decay but is most often built in with deep learning libraries such as Keras. Time-based learning schedules alter the learning rate depending on the learning rate of the previous time iteration. Factoring in the decay the mathematical formula for the learning rate is: η n + 1 = η 0 1 + d n {\displaystyle \eta _{n+1}={\frac {\eta _{0}}{1+dn}}} where η {\displaystyle \eta } is the learning rate, η 0 {\displaystyle \eta _{0}} is the original learning rate, d {\displaystyle d} is a decay parameter and n {\displaystyle n} is the iteration step. Step-based learning schedules changes the learning rate according to some predefined steps. The decay application formula is here defined as: η n = η 0 d ⌊ 1 + n r ⌋ {\displaystyle \eta _{n}=\eta _{0}d^{\left\lfloor {\frac {1+n}{r}}\right\rfloor }} where η n {\displaystyle \eta _{n}} is the learning rate at iteration n {\displaystyle n} , η 0 {\displaystyle \eta _{0}} is the initial learning rate, d {\displaystyle d} is how much the learning rate should change at each drop (0.5 corresponds to a halving) and r {\displaystyle r} corresponds to the drop rate, or how often the rate should be dropped (10 corresponds to a drop every 10 iterations). The floor function ( ⌊ … ⌋ {\displaystyle \lfloor \dots \rfloor } ) here drops the value of its input to 0 for all values smaller than 1. Exponential learning schedules are similar to step-based, but instead of steps, a decreasing exponential function is used. The mathematical formula for factoring in the decay is: η n = η 0 e − d n {\displaystyle \eta _{n}=\eta _{0}e^{-dn}} where d {\displaystyle d} is a decay parameter. == Adaptive learning rate == The issue with learning rate schedules is that they all depend on hyperparameters that must be manually chosen for each given learning session and may vary greatly depending on the problem at hand or the model used. To combat this, there are many different types of adaptive gradient descent algorithms such as Adagrad, Adadelta, RMSprop, and Adam which are generally built into deep learning libraries such as Keras.