AI Data Flow Diagram Generator

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  Single particle analysis

  Single particle analysis is a group of related computerized image processing techniques used to analyze images from transmission electron microscopy (TEM). These methods were developed to improve and extend the information obtainable from TEM images of particulate samples, typically proteins or other large biological entities such as viruses. Individual images of stained or unstained particles are very noisy, making interpretation difficult. Combining several digitized images of similar particles together gives an image with stronger and more easily interpretable features. An extension of this technique uses single particle methods to build up a three-dimensional reconstruction of the particle. Using cryo-electron microscopy it has become possible to generate reconstructions with sub-nanometer, near-atomic resolution resolution first in the case of highly symmetric viruses, and now in smaller, asymmetric proteins as well. == Techniques == Single particle analysis can be done on both negatively stained and vitreous ice-embedded transmission electron cryomicroscopy (CryoTEM) samples. Single particle analysis methods are, in general, reliant on the sample being homogeneous, although techniques for dealing with conformational heterogeneity are being developed. Images (micrographs) are taken with an electron microscope using charged-coupled device (CCD) detectors coupled to a phosphorescent layer (in the past, they were instead collected on film and digitized using high-quality scanners). The image processing is carried out using specialized software programs, often run on multi-processor computer clusters. Depending on the sample or the desired results, various steps of two- or three-dimensional processing can be done. === Alignment and classification === Biological samples, and especially samples embedded in thin vitreous ice, are highly radiation sensitive, thus only low electron doses can be used to image the sample. This low dose, as well as variations in the metal stain used (if used) means images have high noise relative to the signal given by the particle being observed. By aligning several similar images to each other so they are in register and then averaging them, an image with higher signal-to-noise ratio can be obtained. As the noise is mostly randomly distributed and the underlying image features constant, by averaging the intensity of each pixel over several images only the constant features are reinforced. Typically, the optimal alignment (a translation and an in-plane rotation) to map one image onto another is calculated by cross-correlation. However, a micrograph often contains particles in multiple different orientations and/or conformations, and so to get more representative image averages, a method is required to group similar particle images together into multiple sets. This is normally carried out using one of several data analysis and image classification algorithms, such as multi-variate statistical analysis and hierarchical ascendant classification, or k-means clustering. Often data sets of tens of thousands of particle images are used, and to reach an optimal solution an iterative procedure of alignment and classification is used, whereby strong image averages produced by classification are used as reference images for a subsequent alignment of the whole data set. === Image filtering === Image filtering (band-pass filtering) is often used to reduce the influence of high and/or low spatial frequency information in the images, which can affect the results of the alignment and classification procedures. This is particularly useful in negative stain images. The algorithms make use of fast Fourier transforms (FFT), often employing Gaussian shaped soft-edged masks in reciprocal space to suppress certain frequency ranges. High-pass filters remove low spatial frequencies (such as ramp or gradient effects), leaving the higher frequencies intact. Low-pass filters remove high spatial frequency features and have a blurring effect on fine details. === Contrast transfer function === Due to the nature of image formation in the electron microscope, bright-field TEM images are obtained using significant underfocus. This, along with features inherent in the microscope's lens system, creates blurring of the collected images visible as a point spread function. The combined effects of the imaging conditions are known as the contrast transfer function (CTF), and can be approximated mathematically as a function in reciprocal space. Specialized image processing techniques such as phase flipping and amplitude correction / Wiener filtering can (at least partially) correct for the CTF, and allow high resolution reconstructions. === Three-dimensional reconstruction === Transmission electron microscopy images are projections of the object showing the distribution of density through the object, similar to medical X-rays. By making use of the projection-slice theorem a three-dimensional reconstruction of the object can be generated by combining many images (2D projections) of the object taken from a range of viewing angles. Proteins in vitreous ice ideally adopt a random distribution of orientations (or viewing angles), allowing a fairly isotropic reconstruction if a large number of particle images are used. This contrasts with electron tomography, where the viewing angles are limited due to the geometry of the sample/imaging set up, giving an anisotropic reconstruction. Filtered back projection is a commonly used method of generating 3D reconstructions in single particle analysis, although many alternative algorithms exist. Before a reconstruction can be made, the orientation of the object in each image needs to be estimated. Several methods have been developed to work out the relative Euler angles of each image. Some are based on common lines (common 1D projections and sinograms), others use iterative projection matching algorithms. The latter works by beginning with a simple, low resolution 3D starting model and compares the experimental images to projections of the model and creates a new 3D to bootstrap towards a solution. Methods are also available for making 3D reconstructions of helical samples (such as tobacco mosaic virus), taking advantage of the inherent helical symmetry. Both real space methods (treating sections of the helix as single particles) and reciprocal space methods (using diffraction patterns) can be used for these samples. === Tilt methods === The specimen stage of the microscope can be tilted (typically along a single axis), allowing the single particle technique known as random conical tilt. An area of the specimen is imaged at both zero and at high angle (~60-70 degrees) tilts, or in the case of the related method of orthogonal tilt reconstruction, +45 and −45 degrees. Pairs of particles corresponding to the same object at two different tilts (tilt pairs) are selected, and by following the parameters used in subsequent alignment and classification steps a three-dimensional reconstruction can be generated relatively easily. This is because the viewing angle (defined as three Euler angles) of each particle is known from the tilt geometry. 3D reconstructions from random conical tilt suffer from missing information resulting from a restricted range of orientations. Known as the missing cone (due to the shape in reciprocal space), this causes distortions in the 3D maps. However, the missing cone problem can often be overcome by combining several tilt reconstructions. Tilt methods are best suited to negatively stained samples, and can be used for particles that adsorb to the carbon support film in preferred orientations. The phenomenon known as charging or beam-induced movement makes collecting high-tilt images of samples in vitreous ice challenging. === Map visualization and fitting === Various software programs are available that allow viewing the 3D maps. These often enable the user to manually dock in protein coordinates (structures from X-ray crystallography, NMR, or a computational model such as one found in the AlphaFold Protein Structure Database) of subunits into the electron density. Several programs can also fit subunits computationally; as of the 2020s using these programs tend to produce better accuracy than manual docking because they can perform labor-intensive tasks such as: The scale of SPA-derived maps depends on knowing the pixel size (angstorms per pixel), which is not always accurate. Programs can automatically correct for this difference by using coordinate data or by using knowledge of chemical bonds. Many proteins are made up of several roughly rigid protein domains linked by flexible parts. Pre-existing coordinate data, whether experimental or computational, may not exactly match the inter-domain positioning of the cyro-EM map. Modern programs can automatically "chop" pre-existing coordinate data into individual domains and fit them in individually. For higher-resolution structures, it is pos

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  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.

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  Artificial psychology

  Artificial psychology (AP) has had multiple meanings dating back to 19th century, with recent usage related to artificial intelligence (AI).Artificial psychology is a theoretical field related to artificial intelligence, cognitive science, and psychology, which explores how advanced AI systems may develop human-like decision-making processes. In 1999, Zhiliang Wang and Lun Xie presented a theory of artificial psychology based on artificial intelligence. They analyze human psychology using information science research methods and artificial intelligence research to probe deeper into the human mind. == Main Theory == Dan Curtis (b. 1963) proposed AP is a theoretical discipline. The theory considers the situation when an artificial intelligence approaches the level of complexity where the intelligence meets two conditions: Condition I A: Makes all of its decisions autonomously B: Is capable of making decisions based on information that is New Abstract Incomplete C: The artificial intelligence is capable of reprogramming itself based on the new data, allowing it to evolve. D: And is capable of resolving its own programming conflicts, even in the presence of incomplete data. This means that the intelligence autonomously makes value-based decisions, referring to values that the intelligence has created for itself. Condition II All four criteria are met in situations that are not part of the original operating program When both conditions are met, then, according to this theory, the possibility exists that the intelligence will reach irrational conclusions based on real or created information. At this point, the criteria are met for intervention which will not necessarily be resolved by simple re-coding of processes due to extraordinarily complex nature of the codebase itself; but rather a discussion with the intelligence in a format which more closely resembles classical (human) psychology. If the intelligence cannot be reprogrammed by directly inputting new code, but requires the intelligence to reprogram itself through a process of analysis and decision based on information provided by a human, in order for it to overcome behavior which is inconsistent with the machines purpose or ability to function normally, then artificial psychology is by definition, what is required. The level of complexity that is required before these thresholds are met is currently a subject of extensive debate. The theory of artificial psychology does not address the specifics of what those levels may be, but only that the level is sufficiently complex that the intelligence cannot simply be recoded by a software developer, and therefore dysfunctionality must be addressed through the same processes that humans must go through to address their own dysfunctionalities. Along the same lines, artificial psychology does not address the question of whether or not the intelligence is conscious. As of 2022, the level of artificial intelligence does not approach any threshold where any of the theories or principles of artificial psychology can even be tested, and therefore, artificial psychology remains a largely theoretical discipline. Even at a theoretical level, artificial psychology remains an advanced stage of artificial intelligence.

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  Character computing

  Character computing is a trans-disciplinary field of research at the intersection of computer science and psychology. It is any computing that incorporates the human character within its context. Character is defined as all features or characteristics defining an individual and guiding their behavior in a specific situation. It consists of stable trait markers (e.g., personality, background, history, socio-economic embeddings, culture,...) and variable state markers (emotions, health, cognitive state, ...). Character computing aims at providing a holistic psychologically driven model of human behavior. It models and predicts behavior based on the relationships between a situation and character. Three main research modules fall under the umbrella of character computing: character sensing and profiling, character-aware adaptive systems, and artificial characters. == Overview == Character computing can be viewed as an extension of the well-established field of affective computing. Based on the foundations of the different psychology branches, it advocates defining behavior as a compound attribute that is not driven by either personality, emotions, situation or cognition alone. It rather defines behavior as a function of everything that makes up an individual i.e., their character and the situation they are in. Affective computing aims at allowing machines to understand and translate the non-verbal cues of individuals into affect. Accordingly, character computing aims at understanding the character attributes of an individual and the situation to translate it to predicted behavior, and vice versa. ''In practical terms, depending on the application context, character computing is a branch of research that deals with the design of systems and interfaces that can observe, sense, predict, adapt to, affect, understand, or simulate the following: character based on behavior and situation, behavior based on character and situation, or situation based on character and behavior.'' The Character-Behavior-Situation (CBS) triad is at the core of character computing and defines each of the three edges based on the other two. Character computing relies on simultaneous development from a computational and psychological perspective and is intended to be used by researchers in both fields. Its main concept is aligning the computational model of character computing with empirical results from in-lab and in-the-wild psychology experiments. The model is to be continuously built and validated through the emergence of new data. Similar to affective and personality computing, the model is to be used as a base for different applications towards improving user experience. == History == Character computing as such was first coined in its first workshop in 2017. Since then it has had 3 international workshops and numerous publications. Despite its young age, it has already drawn some interest in the research community, leading to the publication of the first book under the same title in early 2020 published by Springer Nature. Research that can be categorized under the field dates much older than 2017. The notion of combining several factors towards the explanation of behavior or traits and states has long been investigated in both Psychology and Computer Science, for example. == Character == The word character originates from the Greek word meaning “stamping tool”, referring to distinctive features and traits. Over the years it has been given many different connotations, like the moral character in philosophy, the temperament in psychology, a person in literature or an avatar in various virtual worlds, including video games. According to character computing character is a unification of all the previous definitions, by referring back to the original meaning of the word. Character is defined as the holistic concept representing all interacting trait and state markers that distinguish an individual. Traits are characteristics that mainly remain stable over time. Traits include personality, affect, socio-demographics, and general health. States are characteristics that vary in short periods of time. They include emotions, well-being, health, cognitive state. Each characteristic has many representation methods and psychological models. The different models can be combined or one model can be preset for each characteristic. This depends on the use-case and the design choices. == Areas == Research into character computing can be divided into three areas, which complement each other but can each be investigated separately. The first area is sensing and predicting character states and traits or ensuing behavior. The second area is adapting applications to certain character states or traits and the behavior they predict. It also deals with trying to change or monitor such behavior. The final area deals with creating artificial agents e.g., chatbots or virtual reality avatars that exhibit certain characteristics. The three areas are investigated separately and build on existing findings in the literature. The results of each of the three areas can also be used as a stepping stone for the next area. Each of the three areas has already been investigated on its own in different research fields with focus on different subsets of character. For example, affective computing and personality computing both cover different areas with a focus on some character components without the others to account for human behavior. == The Character-Behavior-Situation triad == Character computing is based on a holistic psychologically driven model of human behavior. Human behavior is modeled and predicted based on the relationships between a situation and a human's character. To further define character in a more formal or holistic manner, we represent it in light of the Character–Behavior–Situation triad. This highlights that character not only determines who we are but how we are, i.e., how we behave. The triad investigated in Personality Psychology is extended through character computing to the Character–Behavior–Situation triad. Any member of the CBS triad is a function of the two other members, e.g., given the situation and personality, the behavior can be predicted. Each of the components in the triad can be further decomposed into smaller units and features that may best represent the human's behavior or character in a particular situation. Character is thus behind a person's behavior in any given situation. While this is a causality relation, the correlation between the three components is often more easily used to predict the components that are most difficult to measure from those measured more easily. There are infinitely many components to include in the representation of any of C, B, and S. The challenge is always to choose the smallest subset needed for prediction of a person's behavior in a particular situation.

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  Open information extraction

  In natural language processing, open information extraction (OIE) is the task of generating a structured, machine-readable representation of the information in text, usually in the form of triples or n-ary propositions. == Overview == A proposition can be understood as truth-bearer, a textual expression of a potential fact (e.g., "Dante wrote the Divine Comedy"), represented in an amenable structure for computers [e.g., ("Dante", "wrote", "Divine Comedy")]. An OIE extraction normally consists of a relation and a set of arguments. For instance, ("Dante", "passed away in" "Ravenna") is a proposition formed by the relation "passed away in" and the arguments "Dante" and "Ravenna". The first argument is usually referred as the subject while the second is considered to be the object. The extraction is said to be a textual representation of a potential fact because its elements are not linked to a knowledge base. Furthermore, the factual nature of the proposition has not yet been established. In the above example, transforming the extraction into a full fledged fact would first require linking, if possible, the relation and the arguments to a knowledge base. Second, the truth of the extraction would need to be determined. In computer science transforming OIE extractions into ontological facts is known as relation extraction. In fact, OIE can be seen as the first step to a wide range of deeper text understanding tasks such as relation extraction, knowledge-base construction, question answering, semantic role labeling. The extracted propositions can also be directly used for end-user applications such as structured search (e.g., retrieve all propositions with "Dante" as subject). OIE was first introduced by TextRunner developed at the University of Washington Turing Center headed by Oren Etzioni. Other methods introduced later such as Reverb, OLLIE, ClausIE or CSD helped to shape the OIE task by characterizing some of its aspects. At a high level, all of these approaches make use of a set of patterns to generate the extractions. Depending on the particular approach, these patterns are either hand-crafted or learned. == OIE systems and contributions == Reverb suggested the necessity to produce meaningful relations to more accurately capture the information in the input text. For instance, given the sentence "Faust made a pact with the devil", it would be erroneous to just produce the extraction ("Faust", "made", "a pact") since it would not be adequately informative. A more precise extraction would be ("Faust", "made a pact with", "the devil"). Reverb also argued against the generation of overspecific relations. OLLIE stressed two important aspects for OIE. First, it pointed to the lack of factuality of the propositions. For instance, in a sentence like "If John studies hard, he will pass the exam", it would be inaccurate to consider ("John", "will pass", "the exam") as a fact. Additionally, the authors indicated that an OIE system should be able to extract non-verb mediated relations, which account for significant portion of the information expressed in natural language text. For instance, in the sentence "Obama, the former US president, was born in Hawaii", an OIE system should be able to recognize a proposition ("Obama", "is", "former US president"). ClausIE introduced the connection between grammatical clauses, propositions, and OIE extractions. The authors stated that as each grammatical clause expresses a proposition, each verb mediated proposition can be identified by solely recognizing the set of clauses expressed in each sentence. This implies that to correctly recognize the set of propositions in an input sentence, it is necessary to understand its grammatical structure. The authors studied the case in the English language that only admits seven clause types, meaning that the identification of each proposition only requires defining seven grammatical patterns. The finding also established a separation between the recognition of the propositions and its materialization. In a first step, the proposition can be identified without any consideration of its final form, in a domain-independent and unsupervised way, mostly based on linguistic principles. In a second step, the information can be represented according to the requirements of the underlying application, without conditioning the identification phase. Consider the sentence "Albert Einstein was born in Ulm and died in Princeton". The first step will recognize the two propositions ("Albert Einstein", "was born", "in Ulm") and ("Albert Einstein", "died", "in Princeton"). Once the information has been correctly identified, the propositions can take the particular form required by the underlying application [e.g., ("Albert Einstein", "was born in", "Ulm") and ("Albert Einstein", "died in", "Princeton")]. CSD introduced the idea of minimality in OIE. It considers that computers can make better use of the extractions if they are expressed in a compact way. This is especially important in sentences with subordinate clauses. In these cases, CSD suggests the generation of nested extractions. For example, consider the sentence "The Embassy said that 6,700 Americans were in Pakistan". CSD generates two extractions [i] ("6,700 Americans", "were", "in Pakistan") and [ii] ("The Embassy", "said", "that [i]"). This is usually known as reification.

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  Maximum inner-product search

  Maximum inner-product search (MIPS) is a search problem, with a corresponding class of search algorithms which attempt to maximise the inner product between a query and the data items to be retrieved. MIPS algorithms are used in a wide variety of big data applications, including recommendation algorithms and machine learning. Formally, for a database of vectors x i {\displaystyle x_{i}} defined over a set of labels S {\displaystyle S} in an inner product space with an inner product ⟨ ⋅ , ⋅ ⟩ {\displaystyle \langle \cdot ,\cdot \rangle } defined on it, MIPS search can be defined as the problem of determining a r g m a x i ∈ S ⟨ x i , q ⟩ {\displaystyle {\underset {i\in S}{\operatorname {arg\,max} }}\ \langle x_{i},q\rangle } for a given query q {\displaystyle q} . Although there is an obvious linear-time implementation, it is generally too slow to be used on practical problems. However, efficient algorithms exist to speed up MIPS search. Under the assumption of all vectors in the set having constant norm, MIPS can be viewed as equivalent to a nearest neighbor search (NNS) problem in which maximizing the inner product is equivalent to minimizing the corresponding distance metric in the NNS problem. Like other forms of NNS, MIPS algorithms may be approximate or exact. MIPS search is used as part of DeepMind's RETRO algorithm.

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  Hierarchical Risk Parity

  Hierarchical Risk Parity (HRP) is an advanced investment portfolio optimization framework developed in 2016 by Marcos López de Prado at Guggenheim Partners and Cornell University. HRP is a probabilistic graph-based alternative to the prevailing mean-variance optimization (MVO) framework developed by Harry Markowitz in 1952, and for which he received the Nobel Prize in economic sciences. HRP algorithms apply discrete mathematics and machine learning techniques to create diversified and robust investment portfolios that outperform MVO methods out-of-sample. HRP aims to address the limitations of traditional portfolio construction methods, particularly when dealing with highly correlated assets. Following its publication, HRP has been implemented in numerous open-source libraries, and received multiple extensions. == Key features == HRP portfolios have been proposed as a robust alternative to traditional quadratic optimization methods, including the Critical Line Algorithm (CLA) of Markowitz. HRP addresses three central issues commonly associated with quadratic optimizers: numerical instability, excessive concentration in a small number of assets, and poor out-of-sample performance. HRP leverages techniques from graph theory and machine learning to construct diversified portfolios using only the information embedded in the covariance matrix. Unlike quadratic programming methods, HRP does not require the covariance matrix to be invertible. Consequently, HRP remains applicable even in cases where the covariance matrix is ill-conditioned or singular—conditions under which standard optimizers fail. Monte Carlo simulations indicate that HRP achieves lower out-of-sample variance than CLA, despite the fact that minimizing variance is the explicit optimization objective of CLA. Furthermore, HRP portfolios exhibit lower realized risk compared to those generated by traditional risk parity methodologies. Empirical backtests have demonstrated that HRP would have historically outperformed conventional portfolio construction techniques. Algorithms within the HRP framework are characterized by the following features: Machine Learning Approach: HRP employs hierarchical clustering, a machine learning technique, to group similar assets based on their correlations. This allows the algorithm to identify the underlying hierarchical structure of the portfolio, and avoid that errors spread through the entire network. Risk-Based Allocation: The algorithm allocates capital based on risk, ensuring that assets only compete with similar assets for representation in the portfolio. This approach leads to better diversification across different risk sources, while avoiding the instability associated with noisy returns estimates. Covariance Matrix Handling: Unlike traditional methods like Mean-Variance Optimization, HRP does not require inverting the covariance matrix. This makes it more stable and applicable to portfolios with a large number of assets, particularly when the covariance matrix's condition number is high. == The problem: Markowitz's Curse == Portfolio construction is perhaps the most recurrent financial problem. On a daily basis, investment managers must build portfolios that incorporate their views and forecasts on risks and returns. Despite the theoretical elegance of Markowitz's mean-variance framework, its practical implementation is hindered by several limitations that undermine the reliability of solutions derived from the Critical Line Algorithm (CLA). A principal concern is the high sensitivity of optimal portfolios to small perturbations in expected returns: even minor forecasting errors can result in significantly different allocations (Michaud, 1998). Given the inherent difficulty of producing accurate return forecasts, numerous researchers have advocated for approaches that forgo expected returns entirely and instead rely solely on the covariance structure of asset returns. This has given rise to risk-based allocation methods, among which risk parity is a widely cited example (Jurczenko, 2015). While eliminating return forecasts mitigates some instability, it does not eliminate it. Quadratic programming techniques employed in portfolio optimization require the inversion of a positive-definite covariance matrix, meaning all eigenvalues must be strictly positive. When the matrix is numerically ill-conditioned—that is, when the ratio of its largest to smallest eigenvalue (its condition number) is large—matrix inversion becomes unreliable and prone to significant numerical errors (Bailey and López de Prado, 2012). The condition number of a covariance, correlation, or any symmetric (and thus diagonalizable) matrix is defined as the absolute value of the ratio between its largest and smallest eigenvalues in modulus. The figure on the right presents the sorted eigenvalues of several correlation matrices; the condition number is represented by the ratio of the first to last eigenvalues in each sequence. A diagonal correlation matrix, which is equal to its own inverse, exhibits the minimum possible condition number. As the number of correlated (or multicollinear) assets in a portfolio increases, the condition number rises. At high levels, this leads to severe numerical instability, whereby slight modifications in any matrix entry may result in drastically different inverses. This phenomenon, often referred to as Markowitz’s curse, encapsulates the paradox wherein increased correlation among assets heightens the theoretical need for diversification, yet simultaneously increases the likelihood of unstable optimization outcomes. Consequently, the potential benefits of diversification are frequently overshadowed by estimation errors. These problems are exacerbated as the dimensionality of the covariance matrix increases. The estimation of each covariance term consumes degrees of freedom, and in general, a minimum of 1 2 N ( N + 1 ) {\displaystyle {\frac {1}{2}}N(N+1)} independent and identically distributed (IID) observations is required to estimate a non-singular covariance matrix of dimension N {\displaystyle N} . For example, constructing an invertible covariance matrix of dimension 50 necessitates at least five years of daily IID observations. However, empirical evidence suggests that the correlation structure of financial assets is highly unstable over such extended periods. These difficulties are highlighted by the observation that even naïve allocation strategies—such as equally weighted portfolios—have frequently outperformed both mean-variance and risk-based optimizations in out-of-sample tests (De Miguel et al., 2009). == The solution: Hierarchical Risk Parity == The HRP algorithm addresses Markowitz's curse in three steps: Hierarchical Clustering: Assets are grouped into clusters based on their correlations, forming a hierarchical tree structure. Quasi-Diagonalization: The correlation matrix is reordered based on the clustering results, revealing a block diagonal structure. Recursive Bisection: Weights are assigned to assets through a top-down approach, splitting the portfolio into smaller sub-portfolios and allocating capital based on inverse variance. === Step 1: Hierarchical clustering === Given a T × N {\displaystyle T\times N} matrix of asset returns X {\displaystyle X} , where each column represents a time series of returns for one of N {\displaystyle N} assets over T {\displaystyle T} time periods, a hierarchical clustering process can be used to construct a tree-based representation of asset relationships. First, we compute the N × N {\displaystyle N\times N} correlation matrix ρ = ρ i , j i , j = 1 . . . N {\displaystyle \rho ={\rho _{i,j}}\;{i,j=1\;...\;N}} , where ρ i , j = c o r r ( X i , X j ) {\displaystyle \rho _{i,j}=\mathrm {corr} (X_{i},X_{j})} . From this, a pairwise distance matrix D = d i , j {\displaystyle D={d_{i,j}}} is defined using the transformation: d i , j = 1 2 ( 1 − ρ i , j ) {\displaystyle d_{i,j}={\sqrt {{\frac {1}{2}}(1-\rho _{i,j})}}} This distance function defines a proper metric space, satisfying non-negativity, identity of indiscernibles, symmetry, and the triangle inequality. Next, a secondary distance matrix D ~ = d ~ i , j {\displaystyle {\tilde {D}}={{\tilde {d}}_{i,j}}} is computed, where each entry measures the Euclidean distance between the distance profiles of two assets: d ~ i , j = ∑ n = 1 N ( d n , i − d n , j ) 2 {\displaystyle {\tilde {d}}_{i,j}={\sqrt {\sum _{n=1}^{N}(d_{n,i}-d_{n,j})^{2}}}} While d i , j {\displaystyle d_{i,j}} reflects correlation-based proximity between two assets, d ~ i , j {\displaystyle {\tilde {d}}_{i,j}} quantifies dissimilarity across the entire system, as it depends on all pairwise distances. Hierarchical clustering proceeds by identifying the pair ( i , j ) {\displaystyle (i,j)} with the smallest value of d ~ i , j {\displaystyle {\tilde {d}}_{i,j}} (for i ≠ j {\displaystyle i\neq j} ), and forming a new cluster u [ 1 ] = ( i , j ) {\displaystyle u[1]=(i,j)} .

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  Outline of machine learning

  The following outline is provided as an overview of, and topical guide to, machine learning: Machine learning (ML) is a subfield of artificial intelligence within computer science that evolved from the study of pattern recognition and computational learning theory. In 1959, Arthur Samuel defined machine learning as a "field of study that gives computers the ability to learn without being explicitly programmed". ML involves the study and construction of algorithms that can learn from and make predictions on data. These algorithms operate by building a model from a training set of example observations to make data-driven predictions or decisions expressed as outputs, rather than following strictly static program instructions. == How can machine learning be categorized? == An academic discipline A branch of science An applied science A subfield of computer science A branch of artificial intelligence A subfield of soft computing Application of statistics === Paradigms of machine learning === Supervised learning, where the model is trained on labeled data Unsupervised learning, where the model tries to identify patterns in unlabeled data Reinforcement learning, where the model learns to make decisions by receiving rewards or penalties. == Applications of machine learning == Applications of machine learning Bioinformatics Biomedical informatics Computer vision Customer relationship management Data mining Earth sciences Email filtering Inverted pendulum (balance and equilibrium system) Natural language processing Named Entity Recognition Automatic summarization Automatic taxonomy construction Dialog system Grammar checker Language recognition Handwriting recognition Optical character recognition Speech recognition Text to Speech Synthesis Speech Emotion Recognition Machine translation Question answering Speech synthesis Text mining Term frequency–inverse document frequency Text simplification Pattern recognition Facial recognition system Handwriting recognition Image recognition Optical character recognition Speech recognition Recommendation system Collaborative filtering Content-based filtering Hybrid recommender systems Search engine Search engine optimization Social engineering == Machine learning hardware == Graphics processing unit Tensor processing unit Vision processing unit == Machine learning tools == Comparison of machine learning software Comparison of deep learning software === Machine learning frameworks === ==== Proprietary machine learning frameworks ==== Amazon Machine Learning Microsoft Azure Machine Learning Studio DistBelief (replaced by TensorFlow) ==== Open source machine learning frameworks ==== Apache Singa Apache MXNet Caffe PyTorch mlpack TensorFlow Torch CNTK Accord.Net Jax MLJ.jl – A machine learning framework for Julia === Machine learning libraries === Deeplearning4j Theano scikit-learn Keras === Machine learning algorithms === == Machine learning methods == === Instance-based algorithm === K-nearest neighbors algorithm (KNN) Learning vector quantization (LVQ) Self-organizing map (SOM) === Regression analysis === Logistic regression Ordinary least squares regression (OLSR) Linear regression Stepwise regression Multivariate adaptive regression splines (MARS) Regularization algorithm Ridge regression Least Absolute Shrinkage and Selection Operator (LASSO) Elastic net Least-angle regression (LARS) Classifiers Probabilistic classifier Naive Bayes classifier Binary classifier Linear classifier Hierarchical classifier === Dimensionality reduction === Dimensionality reduction Canonical correlation analysis (CCA) Factor analysis Feature extraction Feature selection Independent component analysis (ICA) Linear discriminant analysis (LDA) Multidimensional scaling (MDS) Non-negative matrix factorization (NMF) Partial least squares regression (PLSR) Principal component analysis (PCA) Principal component regression (PCR) Projection pursuit Sammon mapping t-distributed stochastic neighbor embedding (t-SNE) === Ensemble learning === Ensemble learning AdaBoost Boosting Bootstrap aggregating (also "bagging" or "bootstrapping") Ensemble averaging Gradient boosted decision tree (GBDT) Gradient boosting Random Forest Stacked Generalization === Meta-learning === Meta-learning Inductive bias Metadata === Reinforcement learning === Reinforcement learning Q-learning State–action–reward–state–action (SARSA) Temporal difference learning (TD) Learning Automata === Supervised learning === Supervised learning Averaged one-dependence estimators (AODE) Artificial neural network Case-based reasoning Gaussian process regression Gene expression programming Group method of data handling (GMDH) Inductive logic programming Instance-based learning Lazy learning Learning Automata Learning Vector Quantization Logistic Model Tree Minimum message length (decision trees, decision graphs, etc.) Nearest Neighbor Algorithm Analogical modeling Probably approximately correct learning (PAC) learning Ripple down rules, a knowledge acquisition methodology Symbolic machine learning algorithms Support vector machines Random Forests Ensembles of classifiers Bootstrap aggregating (bagging) Boosting (meta-algorithm) Ordinal classification Conditional Random Field ANOVA Quadratic classifiers k-nearest neighbor Boosting SPRINT Bayesian networks Naive Bayes Hidden Markov models Hierarchical hidden Markov model ==== Bayesian ==== Bayesian statistics Bayesian knowledge base Naive Bayes Gaussian Naive Bayes Multinomial Naive Bayes Averaged One-Dependence Estimators (AODE) Bayesian Belief Network (BBN) Bayesian Network (BN) ==== Decision tree algorithms ==== Decision tree algorithm Decision tree Classification and regression tree (CART) Iterative Dichotomiser 3 (ID3) C4.5 algorithm C5.0 algorithm Chi-squared Automatic Interaction Detection (CHAID) Decision stump Conditional decision tree ID3 algorithm Random forest SLIQ ==== Linear classifier ==== Linear classifier Fisher's linear discriminant Linear regression Logistic regression Multinomial logistic regression Naive Bayes classifier Perceptron Support vector machine === Unsupervised learning === Unsupervised learning Expectation-maximization algorithm Vector Quantization Generative topographic map Information bottleneck method Association rule learning algorithms Apriori algorithm Eclat algorithm ==== Artificial neural networks ==== Artificial neural network Feedforward neural network Extreme learning machine Convolutional neural network Recurrent neural network Long short-term memory (LSTM) Logic learning machine Self-organizing map ==== Association rule learning ==== Association rule learning Apriori algorithm Eclat algorithm FP-growth algorithm ==== Hierarchical clustering ==== Hierarchical clustering Single-linkage clustering Conceptual clustering ==== Cluster analysis ==== Cluster analysis BIRCH DBSCAN Expectation–maximization (EM) Fuzzy clustering Hierarchical clustering k-means clustering k-medians Mean-shift OPTICS algorithm ==== Anomaly detection ==== Anomaly detection k-nearest neighbors algorithm (k-NN) Local outlier factor === Semi-supervised learning === Semi-supervised learning Active learning Generative models Low-density separation Graph-based methods Co-training Transduction === Deep learning === Deep learning Deep belief networks Deep Boltzmann machines Deep Convolutional neural networks Deep Recurrent neural networks Hierarchical temporal memory Generative Adversarial Network Style transfer Transformer Stacked Auto-Encoders === Other machine learning methods and problems === Anomaly detection Association rules Bias-variance dilemma Classification Multi-label classification Clustering Data Pre-processing Empirical risk minimization Feature engineering Feature learning Learning to rank Occam learning Online machine learning PAC learning Regression Reinforcement Learning Semi-supervised learning Statistical learning Structured prediction Graphical models Bayesian network Conditional random field (CRF) Hidden Markov model (HMM) Unsupervised learning VC theory == Machine learning research == List of artificial intelligence projects List of datasets for machine learning research == History of machine learning == History of machine learning Timeline of machine learning == Machine learning projects == Machine learning projects: DeepMind Google Brain OpenAI Meta AI Hugging Face == Machine learning organizations == === Machine learning conferences and workshops === Artificial Intelligence and Security (AISec) (co-located workshop with CCS) Conference on Neural Information Processing Systems (NIPS) ECML PKDD International Conference on Machine Learning (ICML) ML4ALL (Machine Learning For All) == Machine learning publications == === Books on machine learning === Mathematics for Machine Learning Hands-On Machine Learning Scikit-Learn, Keras, and TensorFlow The Hundred-Page Machine Learning Book === Machine learning journals === Machine Learning Journal of Machine Learning Research (JMLR) Neural Computation == Pe

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  Web intelligence

  Web intelligence is the area of scientific research and development that explores the roles and makes use of artificial intelligence and information technology for new products, services and frameworks that are empowered by the World Wide Web. The term was coined in a paper written by Ning Zhong, Jiming Liu Yao and Y.Y. Ohsuga in the Computer Software and Applications Conference in 2000. == Research == The research about the web intelligence covers many fields – including data mining (in particular web mining), information retrieval, pattern recognition, predictive analytics, the semantic web, web data warehousing – typically with a focus on web personalization and adaptive websites.

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  Eager learning

  In artificial intelligence, eager learning is a learning method in which the system tries to construct a general, input-independent target function during training of the system, as opposed to lazy learning, where generalization beyond the training data is delayed until a query is made to the system. The main advantage gained in employing an eager learning method, such as an artificial neural network, is that the target function will be approximated globally during training, thus requiring much less space than using a lazy learning system. Eager learning systems also deal much better with noise in the training data. Eager learning is an example of offline learning, in which post-training queries to the system have no effect on the system itself, and thus the same query to the system will always produce the same result. The main disadvantage with eager learning is that it is generally unable to provide good local approximations in the target function.

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  Description logic

  Description logics (DL) are a family of formal knowledge representation languages. Many DLs are more expressive than propositional logic but less expressive than first-order logic. In contrast to the latter, the core reasoning problems for DLs are (usually) decidable, and efficient decision procedures have been designed and implemented for these problems. There are general, spatial, temporal, spatiotemporal, and fuzzy description logics, and each description logic features a different balance between expressive power and reasoning complexity by supporting different sets of mathematical constructors. DLs are used in artificial intelligence to describe and reason about the relevant concepts of an application domain (known as terminological knowledge). It is of particular importance in providing a logical formalism for ontologies and the Semantic Web: the Web Ontology Language (OWL) and its profiles are based on DLs. A major area of application of DLs and OWL is in biomedical informatics, where they assist in the codification of biomedical knowledge. DLs and OWL are also applied in other domains, including defense, climate modeling, and large-scale industrial knowledge graphs. == Introduction == A DL models concepts, roles and individuals, and their relationships. The fundamental modeling concept of a DL is the axiom—a logical statement relating roles and/or concepts. This is a key difference from the frames paradigm where a frame specification declares and completely defines a class. == Nomenclature == === Terminology compared to FOL and OWL === The description logic community uses different terminology than the first-order logic (FOL) community for operationally equivalent notions; some examples are given below. The Web Ontology Language (OWL) uses again a different terminology, also given in the table below. === Naming convention === There are many varieties of description logics and there is an informal naming convention, roughly describing the operators allowed. The expressivity is encoded in the label for a logic starting with one of the following basic logics: Followed by any of the following extensions: ==== Exceptions ==== Some canonical DLs that do not exactly fit this convention are: ==== Examples ==== As an example, A L C {\displaystyle {\mathcal {ALC}}} is a centrally important description logic from which comparisons with other varieties can be made. A L C {\displaystyle {\mathcal {ALC}}} is simply A L {\displaystyle {\mathcal {AL}}} with complement of any concept allowed, not just atomic concepts. A L C {\displaystyle {\mathcal {ALC}}} is used instead of the equivalent A L U E {\displaystyle {\mathcal {ALUE}}} . A further example, the description logic S H I Q {\displaystyle {\mathcal {SHIQ}}} is the logic A L C {\displaystyle {\mathcal {ALC}}} plus extended cardinality restrictions, and transitive and inverse roles. The naming conventions aren't purely systematic so that the logic A L C O I N {\displaystyle {\mathcal {ALCOIN}}} might be referred to as A L C N I O {\displaystyle {\mathcal {ALCNIO}}} and other abbreviations are also made where possible. The Protégé ontology editor supports S H O I N ( D ) {\displaystyle {\mathcal {SHOIN}}^{\mathcal {(D)}}} . Three major biomedical informatics terminology bases, SNOMED CT, GALEN, and GO, are expressible in E L {\displaystyle {\mathcal {EL}}} (with additional role properties). OWL 2 provides the expressiveness of S R O I Q ( D ) {\displaystyle {\mathcal {SROIQ}}^{\mathcal {(D)}}} , OWL-DL is based on S H O I N ( D ) {\displaystyle {\mathcal {SHOIN}}^{\mathcal {(D)}}} , and for OWL-Lite it is S H I F ( D ) {\displaystyle {\mathcal {SHIF}}^{\mathcal {(D)}}} . == History == Description logic was given its current name in the 1980s. Previous to this it was called (chronologically): terminological systems, and concept languages. === Knowledge representation === Frames and semantic networks lack formal (logic-based) semantics. DL was first introduced into knowledge representation (KR) systems to overcome this deficiency. The first DL-based KR system was KL-ONE (by Ronald J. Brachman and Schmolze, 1985). During the '80s other DL-based systems using structural subsumption algorithms were developed including KRYPTON (1983), LOOM (1987), BACK (1988), K-REP (1991) and CLASSIC (1991). This approach featured DL with limited expressiveness but relatively efficient (polynomial time) reasoning. In the early '90s, the introduction of a new tableau based algorithm paradigm allowed efficient reasoning on more expressive DL. DL-based systems using these algorithms — such as KRIS (1991) — show acceptable reasoning performance on typical inference problems even though the worst case complexity is no longer polynomial. From the mid '90s, reasoners were created with good practical performance on very expressive DL with high worst case complexity. Examples from this period include FaCT, RACER (2001), CEL (2005), and KAON 2 (2005). DL reasoners, such as FaCT, FaCT++, RACER, DLP and Pellet, implement the method of analytic tableaux. KAON2 is implemented by algorithms which reduce a SHIQ(D) knowledge base to a disjunctive datalog program. === Semantic web === The DARPA Agent Markup Language (DAML) and Ontology Inference Layer (OIL) ontology languages for the Semantic Web can be viewed as syntactic variants of DL. In particular, the formal semantics and reasoning in OIL use the S H I Q {\displaystyle {\mathcal {SHIQ}}} DL. The DAML+OIL DL was developed as a submission to—and formed the starting point of—the World Wide Web Consortium (W3C) Web Ontology Working Group. In 2004, the Web Ontology Working Group completed its work by issuing the OWL recommendation. The design of OWL is based on the S H {\displaystyle {\mathcal {SH}}} family of DL with OWL DL and OWL Lite based on S H O I N ( D ) {\displaystyle {\mathcal {SHOIN}}^{\mathcal {(D)}}} and S H I F ( D ) {\displaystyle {\mathcal {SHIF}}^{\mathcal {(D)}}} respectively. The W3C OWL Working Group began work in 2007 on a refinement of - and extension to - OWL. In 2009, this was completed by the issuance of the OWL2 recommendation. OWL2 is based on the description logic S R O I Q ( D ) {\displaystyle {\mathcal {SROIQ}}^{\mathcal {(D)}}} . Practical experience demonstrated that OWL DL lacked several key features necessary to model complex domains. == Modeling == === TBox vs Abox === In DL, a distinction is drawn between the so-called TBox (terminological box) and the ABox (assertional box). In general, the TBox contains sentences describing concept hierarchies (i.e., relations between concepts) while the ABox contains ground sentences stating where in the hierarchy, individuals belong (i.e., relations between individuals and concepts). For example, the statement: belongs in the TBox, while the statement: belongs in the ABox. Note that the TBox/ABox distinction is not significant, in the same sense that the two "kinds" of sentences are not treated differently in first-order logic (which subsumes most DL). When translated into first-order logic, a subsumption axiom like (1) is simply a conditional restriction to unary predicates (concepts) with only variables appearing in it. Clearly, a sentence of this form is not privileged or special over sentences in which only constants ("grounded" values) appear like (2). === Motivation for having Tbox and Abox === So why was the distinction introduced? The primary reason is that the separation can be useful when describing and formulating decision-procedures for various DL. For example, a reasoner might process the TBox and ABox separately, in part because certain key inference problems are tied to one but not the other one ('classification' is related to the TBox, 'instance checking' to the ABox). Another example is that the complexity of the TBox can greatly affect the performance of a given decision-procedure for a certain DL, independently of the ABox. Thus, it is useful to have a way to talk about that specific part of the knowledge base. The secondary reason is that the distinction can make sense from the knowledge base modeler's perspective. It is plausible to distinguish between our conception of terms/concepts in the world (class axioms in the TBox) and particular manifestations of those terms/concepts (instance assertions in the ABox). In the above example: when the hierarchy within a company is the same in every branch but the assignment to employees is different in every department (because there are other people working there), it makes sense to reuse the TBox for different branches that do not use the same ABox. There are two features of description logic that are not shared by most other data description formalisms: DL does not make the unique name assumption (UNA) or the closed-world assumption (CWA). Not having UNA means that two concepts with different names may be allowed by some inference to be shown to be equivalent. Not having CWA, or rather having the open world assumption (OWA) means that

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  Granular computing

  Granular computing is an emerging computing paradigm of information processing that concerns the processing of complex information entities called "information granules", which arise in the process of data abstraction and derivation of knowledge from information or data. Generally speaking, information granules are collections of entities that usually originate at the numeric level and are arranged together due to their similarity, functional or physical adjacency, indistinguishability, coherency, or the like. At present, granular computing is more a theoretical perspective than a coherent set of methods or principles. As a theoretical perspective, it encourages an approach to data that recognizes and exploits the knowledge present in data at various levels of resolution or scales. In this sense, it encompasses all methods which provide flexibility and adaptability in the resolution at which knowledge or information is extracted and represented. == Types of granulation == As mentioned above, granular computing is not an algorithm or process; there is no particular method that is called "granular computing". It is rather an approach to looking at data that recognizes how different and interesting regularities in the data can appear at different levels of granularity, much as different features become salient in satellite images of greater or lesser resolution. On a low-resolution satellite image, for example, one might notice interesting cloud patterns representing cyclones or other large-scale weather phenomena, while in a higher-resolution image, one misses these large-scale atmospheric phenomena but instead notices smaller-scale phenomena, such as the interesting pattern that is the streets of Manhattan. The same is generally true of all data: At different resolutions or granularities, different features and relationships emerge. The aim of granular computing is to try to take advantage of this fact in designing more effective machine-learning and reasoning systems. There are several types of granularity that are often encountered in data mining and machine learning, and we review them below: === Value granulation (discretization/quantization) === One type of granulation is the quantization of variables. It is very common that in data mining or machine-learning applications the resolution of variables needs to be decreased in order to extract meaningful regularities. An example of this would be a variable such as "outside temperature" (temp), which in a given application might be recorded to several decimal places of precision (depending on the sensing apparatus). However, for purposes of extracting relationships between "outside temperature" and, say, "number of health-club applications" (club), it will generally be advantageous to quantize "outside temperature" into a smaller number of intervals. ==== Motivations ==== There are several interrelated reasons for granulating variables in this fashion: Based on prior domain knowledge, there is no expectation that minute variations in temperature (e.g., the difference between 80–80.7 °F (26.7–27.1 °C)) could have an influence on behaviors driving the number of health-club applications. For this reason, any "regularity" which our learning algorithms might detect at this level of resolution would have to be spurious, as an artifact of overfitting. By coarsening the temperature variable into intervals the difference between which we do anticipate (based on prior domain knowledge) might influence number of health-club applications, we eliminate the possibility of detecting these spurious patterns. Thus, in this case, reducing resolution is a method of controlling overfitting. By reducing the number of intervals in the temperature variable (i.e., increasing its grain size), we increase the amount of sample data indexed by each interval designation. Thus, by coarsening the variable, we increase sample sizes and achieve better statistical estimation. In this sense, increasing granularity provides an antidote to the so-called curse of dimensionality, which relates to the exponential decrease in statistical power with increase in number of dimensions or variable cardinality. Independent of prior domain knowledge, it is often the case that meaningful regularities (i.e., which can be detected by a given learning methodology, representational language, etc.) may exist at one level of resolution and not at another. For example, a simple learner or pattern recognition system may seek to extract regularities satisfying a conditional probability threshold such as p ( Y = y j | X = x i ) ≥ α . {\displaystyle p(Y=y_{j}|X=x_{i})\geq \alpha .} In the special case where α = 1 , {\displaystyle \alpha =1,} this recognition system is essentially detecting logical implication of the form X = x i → Y = y j {\displaystyle X=x_{i}\rightarrow Y=y_{j}} or, in words, "if X = x i , {\displaystyle X=x_{i},} then Y = y j {\displaystyle Y=y_{j}} ". The system's ability to recognize such implications (or, in general, conditional probabilities exceeding threshold) is partially contingent on the resolution with which the system analyzes the variables. As an example of this last point, consider the feature space shown to the right. The variables may each be regarded at two different resolutions. Variable X {\displaystyle X} may be regarded at a high (quaternary) resolution wherein it takes on the four values { x 1 , x 2 , x 3 , x 4 } {\displaystyle \{x_{1},x_{2},x_{3},x_{4}\}} or at a lower (binary) resolution wherein it takes on the two values { X 1 , X 2 } . {\displaystyle \{X_{1},X_{2}\}.} Similarly, variable Y {\displaystyle Y} may be regarded at a high (quaternary) resolution or at a lower (binary) resolution, where it takes on the values { y 1 , y 2 , y 3 , y 4 } {\displaystyle \{y_{1},y_{2},y_{3},y_{4}\}} or { Y 1 , Y 2 } , {\displaystyle \{Y_{1},Y_{2}\},} respectively. At the high resolution, there are no detectable implications of the form X = x i → Y = y j , {\displaystyle X=x_{i}\rightarrow Y=y_{j},} since every x i {\displaystyle x_{i}} is associated with more than one y j , {\displaystyle y_{j},} and thus, for all x i , {\displaystyle x_{i},} p ( Y = y j | X = x i ) < 1. {\displaystyle p(Y=y_{j}|X=x_{i})<1.} However, at the low (binary) variable resolution, two bilateral implications become detectable: X = X 1 ↔ Y = Y 1 {\displaystyle X=X_{1}\leftrightarrow Y=Y_{1}} and X = X 2 ↔ Y = Y 2 {\displaystyle X=X_{2}\leftrightarrow Y=Y_{2}} , since every X 1 {\displaystyle X_{1}} occurs iff Y 1 {\displaystyle Y_{1}} and X 2 {\displaystyle X_{2}} occurs iff Y 2 . {\displaystyle Y_{2}.} Thus, a pattern recognition system scanning for implications of this kind would find them at the binary variable resolution, but would fail to find them at the higher quaternary variable resolution. ==== Issues and methods ==== It is not feasible to exhaustively test all possible discretization resolutions on all variables in order to see which combination of resolutions yields interesting or significant results. Instead, the feature space must be preprocessed (often by an entropy analysis of some kind) so that some guidance can be given as to how the discretization process should proceed. Moreover, one cannot generally achieve good results by naively analyzing and discretizing each variable independently, since this may obliterate the very interactions that we had hoped to discover. A sample of papers that address the problem of variable discretization in general, and multiple-variable discretization in particular, is as follows: Chiu, Wong & Cheung (1991), Bay (2001), Liu et al. (2002), Wang & Liu (1998), Zighed, Rabaséda & Rakotomalala (1998), Catlett (1991), Dougherty, Kohavi & Sahami (1995), Monti & Cooper (1999), Fayyad & Irani (1993), Chiu, Cheung & Wong (1990), Nguyen & Nguyen (1998), Grzymala-Busse & Stefanowski (2001), Ting (1994), Ludl & Widmer (2000), Pfahringer (1995), An & Cercone (1999), Chiu & Cheung (1989), Chmielewski & Grzymala-Busse (1996), Lee & Shin (1994), Liu & Wellman (2002), Liu & Wellman (2004). === Variable granulation (clustering/aggregation/transformation) === Variable granulation is a term that could describe a variety of techniques, most of which are aimed at reducing dimensionality, redundancy, and storage requirements. We briefly describe some of the ideas here, and present pointers to the literature. ==== Variable transformation ==== A number of classical methods, such as principal component analysis, multidimensional scaling, factor analysis, and structural equation modeling, and their relatives, fall under the genus of "variable transformation." Also in this category are more modern areas of study such as dimensionality reduction, projection pursuit, and independent component analysis. The common goal of these methods in general is to find a representation of the data in terms of new variables, which are a linear or nonlinear transformation of the original variables, and in which important stati

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  ELMo

  ELMo (embeddings from language model) is a word embedding method for representing a sequence of words as a corresponding sequence of vectors. It was created by researchers at the Allen Institute for Artificial Intelligence, and University of Washington and first released in February 2018. It is a bidirectional LSTM which takes character-level as inputs and produces word-level embeddings, trained on a corpus of about 30 million sentences and 1 billion words. The architecture of ELMo accomplishes a contextual understanding of tokens. Deep contextualized word representation is useful for many natural language processing tasks, such as coreference resolution and polysemy resolution. ELMo was historically important as a pioneer of self-supervised generative pretraining followed by fine-tuning, where a large model is trained to reproduce a large corpus, then the large model is augmented with additional task-specific weights and fine-tuned on supervised task data. It was an instrumental step in the evolution towards transformer-based language modelling. == Architecture == ELMo is a multilayered bidirectional LSTM on top of a token embedding layer. The output of all LSTMs concatenated together consists of the token embedding. The input text sequence is first mapped by an embedding layer into a sequence of vectors. Then two parts are run in parallel over it. The forward part is a 2-layered LSTM with 4096 units and 512 dimension projections, and a residual connection from the first to second layer. The backward part has the same architecture, but processes the sequence back-to-front. The outputs from all 5 components (embedding layer, two forward LSTM layers, and two backward LSTM layers) are concatenated and multiplied by a linear matrix ("projection matrix") to produce a 512-dimensional representation per input token. ELMo was pretrained on a text corpus of 1 billion words. The forward part is trained by repeatedly predicting the next token, and the backward part is trained by repeatedly predicting the previous token. After the ELMo model is pretrained, its parameters are frozen, except for the projection matrix, which can be fine-tuned to minimize loss on specific language tasks. This is an early example of the pretraining-fine-tune paradigm. The original paper demonstrated this by improving state of the art on six benchmark NLP tasks. === Contextual word representation === The architecture of ELMo accomplishes a contextual understanding of tokens. For example, the first forward LSTM of ELMo would process each input token in the context of all previous tokens, and the first backward LSTM would process each token in the context of all subsequent tokens. The second forward LSTM would then incorporate those to further contextualize each token. Deep contextualized word representation is useful for many natural language processing tasks, such as coreference resolution and polysemy resolution. For example, consider the sentenceShe went to the bank to withdraw money.In order to represent the token "bank", the model must resolve its polysemy in context. The first forward LSTM would process "bank" in the context of "She went to the", which would allow it to represent the word to be a location that the subject is going towards. The first backward LSTM would process "bank" in the context of "to withdraw money", which would allow it to disambiguate the word as referring to a financial institution. The second forward LSTM can then process "bank" using the representation vector provided by the first backward LSTM, thus allowing it to represent it to be a financial institution that the subject is going towards. == Historical context == ELMo is one link in a historical evolution of language modelling. Consider a simple problem of document classification, where we want to assign a label (e.g., "spam", "not spam", "politics", "sports") to a given piece of text. The simplest approach is the "bag of words" approach, where each word in the document is treated independently, and its frequency is used as a feature for classification. This was computationally cheap but ignored the order of words and their context within the sentence. GloVe and Word2Vec built upon this by learning fixed vector representations (embeddings) for words based on their co-occurrence patterns in large text corpora. Like BERT (but unlike "bag of words" such as Word2Vec and GloVe), ELMo word embeddings are context-sensitive, producing different representations for words that share the same spelling. It was trained on a corpus of about 30 million sentences and 1 billion words. Previously, bidirectional LSTM was used for contextualized word representation. ELMo applied the idea to a large scale, achieving state of the art performance. After the 2017 publication of Transformer architecture, the architecture of ELMo was changed from a multilayered bidirectional LSTM to a Transformer encoder, giving rise to BERT. BERT has a similar pretrain-fine-tune workflow, but uses a Transformer with implications for more parallelizable training.

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  Admissible heuristic

  In computer science, specifically in algorithms related to pathfinding, a heuristic function is said to be admissible if it never overestimates the cost of reaching the goal, i.e. the cost it estimates to reach the goal is not higher than the lowest possible cost from the current point in the path. In other words, it should act as a lower bound. It is related to the concept of consistent heuristics. While all consistent heuristics are admissible, not all admissible heuristics are consistent. == Search algorithms == An admissible heuristic is used to estimate the cost of reaching the goal state in an informed search algorithm. In order for a heuristic to be admissible to the search problem, the estimated cost must always be lower than or equal to the actual cost of reaching the goal state. The search algorithm uses the admissible heuristic to find an estimated optimal path to the goal state from the current node. For example, in A search the evaluation function (where n {\displaystyle n} is the current node) is: f ( n ) = g ( n ) + h ( n ) {\displaystyle f(n)=g(n)+h(n)} where f ( n ) {\displaystyle f(n)} = the evaluation function. g ( n ) {\displaystyle g(n)} = the cost from the start node to the current node h ( n ) {\displaystyle h(n)} = estimated cost from current node to goal. h ( n ) {\displaystyle h(n)} is calculated using the heuristic function. With a non-admissible heuristic, the A algorithm could overlook the optimal solution to a search problem due to an overestimation in f ( n ) {\displaystyle f(n)} . == Formulation == n {\displaystyle n} is a node h {\displaystyle h} is a heuristic h ( n ) {\displaystyle h(n)} is cost indicated by h {\displaystyle h} to reach a goal from n {\displaystyle n} h ∗ ( n ) {\displaystyle h^{}(n)} is the optimal cost to reach a goal from n {\displaystyle n} h ( n ) {\displaystyle h(n)} is admissible if, ∀ n {\displaystyle \forall n} h ( n ) ≤ h ∗ ( n ) {\displaystyle h(n)\leq h^{}(n)} == Construction == An admissible heuristic can be derived from a relaxed version of the problem, or by information from pattern databases that store exact solutions to subproblems of the problem, or by using inductive learning methods. == Examples == Two different examples of admissible heuristics apply to the fifteen puzzle problem: Hamming distance Manhattan distance The Hamming distance is the total number of misplaced tiles. It is clear that this heuristic is admissible since the total number of moves to order the tiles correctly is at least the number of misplaced tiles (each tile not in place must be moved at least once). The cost (number of moves) to the goal (an ordered puzzle) is at least the Hamming distance of the puzzle. The Manhattan distance of a puzzle is defined as: h ( n ) = ∑ all tiles d i s t a n c e ( tile, correct position ) {\displaystyle h(n)=\sum _{\text{all tiles}}{\mathit {distance}}({\text{tile, correct position}})} Consider the puzzle below in which the player wishes to move each tile such that the numbers are ordered. The Manhattan distance is an admissible heuristic in this case because every tile will have to be moved at least the number of spots in between itself and its correct position. The subscripts show the Manhattan distance for each tile. The total Manhattan distance for the shown puzzle is: h ( n ) = 3 + 1 + 0 + 1 + 2 + 3 + 3 + 4 + 3 + 2 + 4 + 4 + 4 + 1 + 1 = 36 {\displaystyle h(n)=3+1+0+1+2+3+3+4+3+2+4+4+4+1+1=36} == Optimality proof == If an admissible heuristic is used in an algorithm that, per iteration, progresses only the path of lowest evaluation (current cost + heuristic) of several candidate paths, terminates the moment its exploration reaches the goal and, crucially, closes all optimal paths before terminating (something that's possible with A search algorithm if special care isn't taken), then this algorithm can only terminate on an optimal path. To see why, consider the following proof by contradiction: Assume such an algorithm managed to terminate on a path T with a true cost Ttrue greater than the optimal path S with true cost Strue. This means that before terminating, the evaluated cost of T was less than or equal to the evaluated cost of S (or else S would have been picked). Denote these evaluated costs Teval and Seval respectively. The above can be summarized as follows, Strue < Ttrue Teval ≤ Seval If our heuristic is admissible it follows that at this penultimate step Teval = Ttrue because any increase on the true cost by the heuristic on T would be inadmissible and the heuristic cannot be negative. On the other hand, an admissible heuristic would require that Seval ≤ Strue which combined with the above inequalities gives us Teval < Ttrue and more specifically Teval ≠ Ttrue. As Teval and Ttrue cannot be both equal and unequal our assumption must have been false and so it must be impossible to terminate on a more costly than optimal path. As an example, let us say we have costs as follows:(the cost above/below a node is the heuristic, the cost at an edge is the actual cost) 0 10 0 100 0 START ---- O ----- GOAL | | 0| |100 | | O ------- O ------ O 100 1 100 1 100 So clearly we would start off visiting the top middle node, since the expected total cost, i.e. f ( n ) {\displaystyle f(n)} , is 10 + 0 = 10 {\displaystyle 10+0=10} . Then the goal would be a candidate, with f ( n ) {\displaystyle f(n)} equal to 10 + 100 + 0 = 110 {\displaystyle 10+100+0=110} . Then we would clearly pick the bottom nodes one after the other, followed by the updated goal, since they all have f ( n ) {\displaystyle f(n)} lower than the f ( n ) {\displaystyle f(n)} of the current goal, i.e. their f ( n ) {\displaystyle f(n)} is 100 , 101 , 102 , 102 {\displaystyle 100,101,102,102} . So even though the goal was a candidate, we could not pick it because there were still better paths out there. This way, an admissible heuristic can ensure optimality. However, note that although an admissible heuristic can guarantee final optimality, it is not necessarily efficient.

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  Cognitive computing

  Cognitive computing refers to technology platforms that, broadly speaking, are based on the scientific disciplines of artificial intelligence and signal processing. These platforms encompass machine learning, reasoning, natural language processing, speech recognition and vision (object recognition), human–computer interaction, dialog and narrative generation, among other technologies. == Definition == At present, there is no widely agreed upon definition for cognitive computing in either academia or industry. In general, the term cognitive computing has been used to refer to new hardware and/or software that mimics the functioning of the human brain (2004). In this sense, cognitive computing is a new type of computing with the goal of more accurate models of how the human brain/mind senses, reasons, and responds to stimulus. Cognitive computing applications link data analysis and adaptive page displays (AUI) to adjust content for a particular type of audience. As such, cognitive computing hardware and applications strive to be more affective and more influential by design. The term "cognitive system" also applies to any artificial construct able to perform a cognitive process where a cognitive process is the transformation of data, information, knowledge, or wisdom to a new level in the DIKW Pyramid. While many cognitive systems employ techniques having their origination in artificial intelligence research, cognitive systems, themselves, may not be artificially intelligent. For example, a neural network trained to recognize cancer on an MRI scan may achieve a higher success rate than a human doctor. This system is certainly a cognitive system but is not artificially intelligent. Cognitive systems may be engineered to feed on dynamic data in real-time, or near real-time, and may draw on multiple sources of information, including both structured and unstructured digital information, as well as sensory inputs (visual, gestural, auditory, or sensor-provided). == Cognitive analytics == Cognitive computing-branded technology platforms typically specialize in the processing and analysis of large, unstructured datasets. == Applications == Education Even if cognitive computing can not take the place of teachers, it can still be a heavy driving force in the education of students. Cognitive computing being used in the classroom is applied by essentially having an assistant that is personalized for each individual student. This cognitive assistant can relieve the stress that teachers face while teaching students, while also enhancing the student's learning experience over all. Teachers may not be able to pay each and every student individual attention, this being the place that cognitive computers fill the gap. Some students may need a little more help with a particular subject. For many students, Human interaction between student and teacher can cause anxiety and can be uncomfortable. With the help of Cognitive Computer tutors, students will not have to face their uneasiness and can gain the confidence to learn and do well in the classroom. While a student is in class with their personalized assistant, this assistant can develop various techniques, like creating lesson plans, to tailor and aid the student and their needs. Healthcare Numerous tech companies are in the process of developing technology that involves cognitive computing that can be used in the medical field. The ability to classify and identify is one of the main goals of these cognitive devices. This trait can be very helpful in the study of identifying carcinogens. This cognitive system that can detect would be able to assist the examiner in interpreting countless numbers of documents in a lesser amount of time than if they did not use Cognitive Computer technology. This technology can also evaluate information about the patient, looking through every medical record in depth, searching for indications that can be the source of their problems. Commerce Together with Artificial Intelligence, it has been used in warehouse management systems to collect, store, organize and analyze all related supplier data. All these aims at improving efficiency, enabling faster decision-making, monitoring inventory and fraud detection Human Cognitive Augmentation In situations where humans are using or working collaboratively with cognitive systems, called a human/cog ensemble, results achieved by the ensemble are superior to results obtainable by the human working alone. Therefore, the human is cognitively augmented. In cases where the human/cog ensemble achieves results at, or superior to, the level of a human expert then the ensemble has achieved synthetic expertise. In a human/cog ensemble, the "cog" is a cognitive system employing virtually any kind of cognitive computing technology. Other use cases Speech recognition Sentiment analysis Face detection Risk assessment Fraud detection Behavioral recommendations == Industry work == Cognitive computing in conjunction with big data and algorithms that comprehend customer needs, can be a major advantage in economic decision making. The powers of cognitive computing and artificial intelligence hold the potential to affect almost every task that humans are capable of performing. This can negatively affect employment for humans, as there would be no such need for human labor anymore. It would also increase the inequality of wealth; the people at the head of the cognitive computing industry would grow significantly richer, while workers without ongoing, reliable employment would become less well off. The more industries start to use cognitive computing, the more difficult it will be for humans to compete. Increased use of the technology will also increase the amount of work that AI-driven robots and machines can perform. The influence of competitive individuals in conjunction with artificial intelligence/cognitive computing has the potential to change the course of humankind.

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