AI Data Visualization Tools

AI Data Visualization Tools — independent reviews, comparisons, pricing and step-by-step guides on Aizhi.

  • Tensor (machine learning)

    Tensor (machine learning)

    In machine learning, the term tensor informally refers to two different concepts: (i) a way of organizing data and (ii) a multilinear (tensor) transformation. Data may be organized in a multidimensional array (M-way array), informally referred to as a "data tensor"; however, in the strict mathematical sense, a tensor is a multilinear mapping over a set of domain vector spaces to a range vector space. Observations, such as images, movies, volumes, sounds, and relationships among words and concepts, stored in an M-way array ("data tensor"), may be analyzed either by artificial neural networks or tensor methods. Tensor decomposition factors data tensors into smaller tensors. Operations on data tensors can be expressed in terms of matrix multiplication and the Kronecker product. The computation of gradients, a crucial aspect of backpropagation, can be performed using software libraries such as PyTorch and TensorFlow. Computations are often performed on graphics processing units (GPUs) using CUDA, and on dedicated hardware such as Google's Tensor Processing Unit or Nvidia's Tensor core. These developments have greatly accelerated neural network architectures, and increased the size and complexity of models that can be trained. == History == A tensor is by definition a multilinear map. In mathematics, this may express a multilinear relationship between sets of algebraic objects. In physics, tensor fields, considered as tensors at each point in space, are useful in expressing mechanics such as stress or elasticity. In machine learning, the exact use of tensors depends on the statistical approach being used. In 2001, the field of signal processing and statistics were making use of tensor methods. Pierre Comon surveys the early adoption of tensor methods in the fields of telecommunications, radio surveillance, chemometrics and sensor processing. Linear tensor rank methods (such as, Parafac/CANDECOMP) analyzed M-way arrays ("data tensors") composed of higher order statistics that were employed in blind source separation problems to compute a linear model of the data. He noted several early limitations in determining the tensor rank and efficient tensor rank decomposition. In the early 2000s, multilinear tensor methods crossed over into computer vision, computer graphics and machine learning with papers by Vasilescu or in collaboration with Terzopoulos, such as Human Motion Signatures, TensorFaces TensorTextures and Multilinear Projection. Multilinear algebra, the algebra of higher-order tensors, is a suitable and transparent framework for analyzing the multifactor structure of an ensemble of observations and for addressing the difficult problem of disentangling the causal factors based on second order or higher order statistics associated with each causal factor. Tensor (multilinear) factor analysis disentangles and reduces the influence of different causal factors with multilinear subspace learning. When treating an image or a video as a 2- or 3-way array, i.e., "data matrix/tensor", tensor methods reduce spatial or time redundancies as demonstrated by Wang and Ahuja. Yoshua Bengio, Geoff Hinton and their collaborators briefly discuss the relationship between deep neural networks and tensor factor analysis beyond the use of M-way arrays ("data tensors") as inputs. One of the early uses of tensors for neural networks appeared in natural language processing. A single word can be expressed as a vector via Word2vec. Thus a relationship between two words can be encoded in a matrix. However, for more complex relationships such as subject-object-verb, it is necessary to build higher-dimensional networks. In 2009, the work of Sutskever introduced Bayesian Clustered Tensor Factorization to model relational concepts while reducing the parameter space. From 2014 to 2015, tensor methods become more common in convolutional neural networks (CNNs). Tensor methods organize neural network weights in a "data tensor", analyze and reduce the number of neural network weights. Lebedev et al. accelerated CNN networks for character classification (the recognition of letters and digits in images) by using 4D kernel tensors. == Definition == Let F {\displaystyle \mathbb {F} } be a field (such as the real numbers R {\displaystyle \mathbb {R} } or the complex numbers C {\displaystyle \mathbb {C} } ). A tensor T ∈ F I 1 × I 2 × … × I C {\displaystyle {\mathcal {T}}\in {\mathbb {F} }^{I_{1}\times I_{2}\times \ldots \times I_{C}}} is a multilinear transformation from a set of domain vector spaces to a range vector space: T : { F I 1 × F I 2 × … F I C } ↦ F I 0 {\displaystyle {\mathcal {T}}:\{{\mathbb {F} }^{I_{1}}\times {\mathbb {F} }^{I_{2}}\times \ldots {\mathbb {F} }^{I_{C}}\}\mapsto {\mathbb {F} }^{I_{0}}} Here, C {\displaystyle C} and I 0 , I 1 , … , I C {\displaystyle I_{0},I_{1},\ldots ,I_{C}} are positive integers, and ( C + 1 ) {\displaystyle (C+1)} is the number of modes of a tensor (also known as the number of ways of a multi-way array). The dimensionality of mode c {\displaystyle c} is I c {\displaystyle I_{c}} , for 0 ≤ c ≤ C {\displaystyle 0\leq c\leq C} . In statistics and machine learning, an image is vectorized when viewed as a single observation, and a collection of vectorized images is organized as a "data tensor". For example, a set of facial images { d i p , i e , i l , i v ∈ R I X } {\displaystyle \{{\mathbb {d} }_{i_{p},i_{e},i_{l},i_{v}}\in {\mathbb {R} }^{I_{X}}\}} with I X {\displaystyle I_{X}} pixels that are the consequences of multiple causal factors, such as a facial geometry i p ( 1 ≤ i p ≤ I P ) {\displaystyle i_{p}(1\leq i_{p}\leq I_{P})} , an expression i e ( 1 ≤ i e ≤ I E ) {\displaystyle i_{e}(1\leq i_{e}\leq I_{E})} , an illumination condition i l ( 1 ≤ i l ≤ I L ) {\displaystyle i_{l}(1\leq i_{l}\leq I_{L})} , and a viewing condition i v ( 1 ≤ i v ≤ I V ) {\displaystyle i_{v}(1\leq i_{v}\leq I_{V})} may be organized into a data tensor (ie. multiway array) D ∈ R I X × I P × I E × I L × V {\displaystyle {\mathcal {D}}\in {\mathbb {R} }^{I_{X}\times I_{P}\times I_{E}\times I_{L}\times V}} where I P {\displaystyle I_{P}} are the total number of facial geometries, I E {\displaystyle I_{E}} are the total number of expressions, I L {\displaystyle I_{L}} are the total number of illumination conditions, and I V {\displaystyle I_{V}} are the total number of viewing conditions. Tensor factorizations methods such as TensorFaces and multilinear (tensor) independent component analysis factorizes the data tensor into a set of vector spaces that span the causal factor representations, where an image is the result of tensor transformation T {\displaystyle {\mathcal {T}}} that maps a set of causal factor representations to the pixel space. Another approach to using tensors in machine learning is to embed various data types directly. For example, a grayscale image, commonly represented as a discrete 2-way array D ∈ R I R X × I C X {\displaystyle {\mathbf {D} }\in {\mathbb {R} }^{I_{RX}\times I_{CX}}} with dimensionality I R X × I C X {\displaystyle I_{RX}\times I_{CX}} where I R X {\displaystyle I_{RX}} are the number of rows and I C X {\displaystyle I_{CX}} are the number of columns. When an image is treated as 2-way array or 2nd order tensor (i.e. as a collection of column/row observations), tensor factorization methods compute the image column space, the image row space and the normalized PCA coefficients or the ICA coefficients. Similarly, a color image with RGB channels, D ∈ R N × M × 3 . {\displaystyle {\mathcal {D}}\in \mathbb {R} ^{N\times M\times 3}.} may be viewed as a 3rd order data tensor or 3-way array.-------- In natural language processing, a word might be expressed as a vector v {\displaystyle v} via the Word2vec algorithm. Thus v {\displaystyle v} becomes a mode-1 tensor v ↦ A ∈ R N . {\displaystyle v\mapsto {\mathcal {A}}\in \mathbb {R} ^{N}.} The embedding of subject-object-verb semantics requires embedding relationships among three words. Because a word is itself a vector, subject-object-verb semantics could be expressed using mode-3 tensors v a × v b × v c ↦ A ∈ R N × N × N . {\displaystyle v_{a}\times v_{b}\times v_{c}\mapsto {\mathcal {A}}\in \mathbb {R} ^{N\times N\times N}.} In practice the neural network designer is primarily concerned with the specification of embeddings, the connection of tensor layers, and the operations performed on them in a network. Modern machine learning frameworks manage the optimization, tensor factorization and backpropagation automatically. === As unit values === Tensors may be used as the unit values of neural networks which extend the concept of scalar, vector and matrix values to multiple dimensions. The output value of single layer unit y m {\displaystyle y_{m}} is the sum-product of its input units and the connection weights filtered through the activation function f {\displaystyle f} : y m = f ( ∑ n x n u m , n ) , {\displaystyle y_{m}=f\left(\sum _{n}x_{n}u_{m,n}\right),} where y m ∈ R .

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  • Feature engineering

    Feature engineering

    Feature engineering is a preprocessing step in supervised machine learning and statistical modeling which transforms raw data into a more effective set of inputs. Each input comprises several attributes, known as features. By providing models with relevant information, feature engineering significantly enhances their predictive accuracy and decision-making capability. Beyond machine learning, the principles of feature engineering are applied in various scientific fields, including physics. For example, physicists construct dimensionless numbers such as the Reynolds number in fluid dynamics, the Nusselt number in heat transfer, and the Archimedes number in sedimentation. They also develop first approximations of solutions, such as analytical solutions for the strength of materials in mechanics. == Clustering == One of the applications of feature engineering has been clustering of feature-objects or sample-objects in a dataset. Especially, feature engineering based on matrix decomposition has been extensively used for data clustering under non-negativity constraints on the feature coefficients. These include Non-Negative Matrix Factorization (NMF), Non-Negative Matrix-Tri Factorization (NMTF), Non-Negative Tensor Decomposition/Factorization (NTF/NTD), etc. The non-negativity constraints on coefficients of the feature vectors mined by the above-stated algorithms yields a part-based representation, and different factor matrices exhibit natural clustering properties. Several extensions of the above-stated feature engineering methods have been reported in literature, including orthogonality-constrained factorization for hard clustering, and manifold learning to overcome inherent issues with these algorithms. Other classes of feature engineering algorithms include leveraging a common hidden structure across multiple inter-related datasets to obtain a consensus (common) clustering scheme. An example is Multi-view Classification based on Consensus Matrix Decomposition (MCMD), which mines a common clustering scheme across multiple datasets. MCMD is designed to output two types of class labels (scale-variant and scale-invariant clustering), and: is computationally robust to missing information, can obtain shape- and scale-based outliers, and can handle high-dimensional data effectively. Coupled matrix and tensor decompositions are popular in multi-view feature engineering. == Predictive modelling == Feature engineering in machine learning and statistical modeling involves selecting, creating, transforming, and extracting data features. Key components include feature creation from existing data, transforming and imputing missing or invalid features, reducing data dimensionality through methods like Principal Components Analysis (PCA), Independent Component Analysis (ICA), and Linear Discriminant Analysis (LDA), and selecting the most relevant features for model training based on importance scores and correlation matrices. Features vary in significance. Even relatively insignificant features may contribute to a model. Feature selection can reduce the number of features to prevent a model from becoming too specific to the training data set (overfitting). Feature explosion occurs when the number of identified features is too large for effective model estimation or optimization. Common causes include: Feature templates - implementing feature templates instead of coding new features Feature combinations - combinations that cannot be represented by a linear system Feature explosion can be limited via techniques such as regularization, kernel methods, and feature selection. == Automation == Automation of feature engineering is a research topic that dates back to the 1990s. Machine learning software that incorporates automated feature engineering has been commercially available since 2016. Related academic literature can be roughly separated into two types: Multi-relational Decision Tree Learning (MRDTL) uses a supervised algorithm that is similar to a decision tree. Deep Feature Synthesis uses simpler methods. === Multi-relational Decision Tree Learning (MRDTL) === Multi-relational Decision Tree Learning (MRDTL) extends traditional decision tree methods to relational databases, handling complex data relationships across tables. It innovatively uses selection graphs as decision nodes, refined systematically until a specific termination criterion is reached. Most MRDTL studies base implementations on relational databases, which results in many redundant operations. These redundancies can be reduced by using techniques such as tuple id propagation. === Open-source implementations === There are a number of open-source libraries and tools that automate feature engineering on relational data and time series: featuretools is a Python library for transforming time series and relational data into feature matrices for machine learning. MCMD: An open-source feature engineering algorithm for joint clustering of multiple datasets. OneBM or One-Button Machine combines feature transformations and feature selection on relational data with feature selection techniques. OneBM helps data scientists reduce data exploration time allowing them to try and error many ideas in short time. On the other hand, it enables non-experts, who are not familiar with data science, to quickly extract value from their data with a little effort, time, and cost. getML community is an open source tool for automated feature engineering on time series and relational data. It is implemented in C/C++ with a Python interface. It has been shown to be at least 60 times faster than tsflex, tsfresh, tsfel, featuretools or kats. tsfresh is a Python library for feature extraction on time series data. It evaluates the quality of the features using hypothesis testing. tsflex is an open source Python library for extracting features from time series data. Despite being 100% written in Python, it has been shown to be faster and more memory efficient than tsfresh, seglearn or tsfel. seglearn is an extension for multivariate, sequential time series data to the scikit-learn Python library. tsfel is a Python package for feature extraction on time series data. kats is a Python toolkit for analyzing time series data. === Deep feature synthesis === The deep feature synthesis (DFS) algorithm beat 615 of 906 human teams in a competition. == Feature stores == The feature store is where the features are stored and organized for the explicit purpose of being used to either train models (by data scientists) or make predictions (by applications that have a trained model). It is a central location where you can either create or update groups of features created from multiple different data sources, or create and update new datasets from those feature groups for training models or for use in applications that do not want to compute the features but just retrieve them when it needs them to make predictions. A feature store includes the ability to store code used to generate features, apply the code to raw data, and serve those features to models upon request. Useful capabilities include feature versioning and policies governing the circumstances under which features can be used. Feature stores can be standalone software tools or built into machine learning platforms. == Alternatives == Feature engineering can be a time-consuming and error-prone process, as it requires domain expertise and often involves trial and error. Deep learning algorithms may be used to process a large raw dataset without having to resort to feature engineering. However, deep learning algorithms still require careful preprocessing and cleaning of the input data. In addition, choosing the right architecture, hyperparameters, and optimization algorithm for a deep neural network can be a challenging and iterative process.

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  • Artificial intelligence controversies

    Artificial intelligence controversies

    The controversies surrounding artificial intelligence encompass a broad range of public, academic, and political debates regarding the societal effects of artificial intelligence (AI). These debates intensified particularly in the late 2010s and 2020s, coinciding with an accelerated period of development known as the AI boom. While advocates emphasize the technology's potential to solve complex problems and enhance human quality of life, detractors highlight a wide array of dangers and challenges. These include concerns over ethics, plagiarism and theft, fraud, safety and alignment, environmental impacts, technological unemployment, and the spread of misinformation. It also covers severe future or theoretical challenges, such as the emergence of artificial superintelligence and existential risks. == 2016 == === Microsoft Tay chatbot (2016) === On March 23, 2016, Microsoft released Tay, a chatbot designed to mimic the language patterns of a 19-year-old American girl and learn from interactions with Twitter users. Soon after its launch, Tay began posting racist, sexist, and otherwise inflammatory tweets after Twitter users deliberately taught it offensive phrases and exploited its "repeat after me" capability. Examples of controversial outputs included Holocaust denial and calls for genocide using racial slurs. Within 16 hours of its release, Microsoft suspended the Twitter account, deleted the offensive tweets, and stated that Tay had suffered from a "coordinated attack by a subset of people" that "exploited a vulnerability." Tay was briefly and accidentally re-released on March 30 during testing, after which it was permanently shut down. Microsoft CEO Satya Nadella later stated that Tay "has had a great influence on how Microsoft is approaching AI" and taught the company the importance of taking accountability. == 2022 == === Voiceverse NFT plagiarism scandal (2022) === On January 14, 2022, voice actor Troy Baker announced a partnership with Voiceverse, a blockchain-based company that marketed proprietary AI voice cloning technology as non-fungible tokens (NFT), triggering immediate backlash over environmental concerns, fears that AI could displace human voice actors, and concerns about fraud. Later that same day, the pseudonymous creator of 15.ai—a free, non-commercial AI voice synthesis research project—revealed through server logs that Voiceverse had used 15.ai to generate voice samples, pitch-shifted them to make them unrecognizable, and falsely marketed them as their own proprietary technology before selling them as NFTs; the developer of 15.ai had previously stated that they had no interest in incorporating NFTs into their work. Voiceverse confessed within an hour and stated that their marketing team had used 15.ai without attribution while rushing to create a demo. News publications and AI watchdog groups universally characterized the incident as theft stemming from generative artificial intelligence. === Théâtre D'opéra Spatial (2022) === On August 29, 2022, Jason Michael Allen won first place in the "emerging artist" (non-professional) division of the "Digital Arts/Digitally-Manipulated Photography" category of the Colorado State Fair's fine arts competition with Théâtre D'opéra Spatial, a digital artwork created using the AI image generator Midjourney, Adobe Photoshop, and AI upscaling tools, becoming one of the first images made using generative AI to win such a prize. Allen disclosed his use of Midjourney when submitting, though the judges did not know it was an AI tool but stated they would have awarded him first place regardless. While there was little contention about the image at the fair, reactions to the win on social media were negative. On September 5, 2023, the United States Copyright Office ruled that the work was not eligible for copyright protection as the human creative input was de minimis and that copyright rules "exclude works produced by non-humans." == 2023 == === Statements on AI risk (2023) === On March 22, 2023, the Future of Life Institute published an open letter calling on "all AI labs to immediately pause for at least 6 months the training of AI systems more powerful than GPT-4", citing risks such as AI-generated propaganda, extreme automation of jobs, human obsolescence, and a society-wide loss of control. The letter, published a week after the release of OpenAI's GPT-4, asserted that current large language models were "becoming human-competitive at general tasks". It received more than 30,000 signatures, including academic AI researchers and industry CEOs such as Yoshua Bengio, Stuart Russell, Elon Musk, Steve Wozniak and Yuval Noah Harari. The letter was criticized for diverting attention from more immediate societal risks such as algorithmic biases, with Timnit Gebru and others arguing that it amplified "some futuristic, dystopian sci-fi scenario" instead of current problems with AI. On May 30, 2023, the Center for AI Safety released a one-sentence statement signed by hundreds of artificial intelligence experts and other notable figures: "Mitigating the risk of extinction from AI should be a global priority alongside other societal-scale risks such as pandemics and nuclear war." Signatories included Turing laureates Geoffrey Hinton and Yoshua Bengio, as well as the scientific and executive leaders of several major AI companies, including Sam Altman, Demis Hassabis, and Bill Gates. The statement prompted responses from political leaders, including UK Prime Minister Rishi Sunak, who retweeted it with a statement that the UK government would look carefully into it, and White House Press Secretary Karine Jean-Pierre, who commented that AI "is one of the most powerful technologies that we see currently in our time." Skeptics, including from Human Rights Watch, argued that scientists should focus on known risks of AI instead of speculative future risks. === Removal of Sam Altman from OpenAI (2023) === On November 17, 2023, OpenAI's board of directors ousted co-founder and chief executive Sam Altman, stating that "the board no longer has confidence in his ability to continue leading OpenAI." The removal was precipitated by employee concerns about his handling of artificial intelligence safety and allegations of abusive behavior. Altman was reinstated on November 22 after pressure from employees and investors, including a letter signed by 745 of OpenAI's 770 employees threatening mass resignations if the board did not resign. The removal and subsequent reinstatement caused widespread reactions, including Microsoft's stock falling nearly three percent following the initial announcement and then rising over two percent to an all-time high after Altman was hired to lead a Microsoft AI research team before his reinstatement. The incident also prompted investigations from the Competition and Markets Authority and the Federal Trade Commission into Microsoft's relationship with OpenAI. == 2024 == === Taylor Swift deepfake pornography controversy (2024) === In late January 2024, sexually explicit AI-generated deepfake images of Taylor Swift were proliferated on X, with one post reported to have been seen over 47 million times before its removal. Disinformation research firm Graphika traced the images back to 4chan, while members of a Telegram group had discussed ways to circumvent censorship safeguards of AI image generators to create pornographic images of celebrities. The images prompted responses from anti-sexual assault advocacy groups, US politicians, and Swifties. Microsoft CEO Satya Nadella called the incident "alarming and terrible." X briefly blocked searches of Swift's name on January 27, 2024, and Microsoft enhanced its text-to-image model safeguards to prevent future abuse. On January 30, US senators Dick Durbin, Lindsey Graham, Amy Klobuchar, and Josh Hawley introduced a bipartisan bill that would allow victims to sue individuals who produced or possessed "digital forgeries" with intent to distribute, or those who received the material knowing it was made without consent. === Google Gemini image generation controversy (2024) === In February 2024, social media users reported that Google's Gemini chatbot was generating images that featured people of color and women in historically inaccurate contexts—such as Vikings, Nazi soldiers, and the Founding Fathers—and refusing prompts to generate images of white people. The images were derided on social media, including by conservatives who cited them as evidence of Google's "wokeness", and criticized by Elon Musk, who denounced Google's products as biased and racist. In response, Google paused Gemini's ability to generate images of people. Google executive Prabhakar Raghavan released a statement explaining that Gemini had "overcompensate[d]" in its efforts to strive for diversity and acknowledging that the images were "embarrassing and wrong". Google CEO Sundar Pichai called the incident offensive and unacceptable in an internal memo, promising struc

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  • Machine-learned interatomic potential

    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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  • Dark data

    Dark data

    Dark data is data which is acquired through various computer network operations but not used in any manner to derive insights or for decision making. The ability of an organisation to collect data can exceed the throughput at which it can analyse the data. In some cases the organisation may not even be aware that the data is being collected. IBM estimate that roughly 90 percent of data generated by sensors and analog-to-digital conversions never get used. In an industrial context, dark data can include information gathered by sensors and telematics. Organizations retain dark data for a multitude of reasons, and it is estimated that most companies are only analyzing 1% of their data. Often it is stored for regulatory compliance and record keeping. Some organizations believe that dark data could be useful to them in the future, once they have acquired better analytic and business intelligence technology to process the information. Because storage is inexpensive, storing data is easy. However, storing and securing the data usually entails greater expenses (or even risk) than the potential return profit. In academic discourse, the term dark data was essentially coined by Bryan P. Heidorn. He uses it to describe research data, especially from the long tail of science (the many, small research projects), which are not or no longer available for research because they disappear in a drawer without adequate data management. Without this, the data become dark, and further reasons for this are e.g. missing metadata annotation, missing data management plans and data curators. == Analysis == The term "dark data" very often refers to data that is not amenable to computer processing. For example, a company might have a great deal of data that exists only as scanned page-images. Even the bare text in such documents is not available without something like Optical character recognition, which can vary greatly in accuracy. Even with OCR, the significance of each part of the data is unavailable. An obvious examples is whether a capitalized word is a name or not, and if so, whether it represents a person, place, organization, or even a work of art. Bibliographic and other references, data within tables (that may be labeled quite adequately for humans, but not for processing), and countless assertions represented with the full complexity and ambiguity of human language. A lot of unused data is very valuable, and would be used if it could be; but is blocked because it is in formats that are difficult to process, categorise, identify, and analyse. Often the reason that business does not use their dark data is because of the amount of resources it would take and the difficulty of having that data analysed. In other words, the data is "dark" not because it is not used, but because it cannot (feasibly or affordably) be used, given its poor representation. There are many data representations that can make data much more accessible for automation. However, a great deal of information lacks any such identification of information items or relationships; and much more loses it during "downhill" conversion such as saving to page-oriented representations, printing, scanning, or faxing. The journey back "uphill" can be costly. According to Computer Weekly, 60% of organisations believe that their own business intelligence reporting capability is "inadequate" and 65% say that they have "somewhat disorganised content management approaches". == Relevance == Useful data may become dark data after it becomes irrelevant, as it is not processed fast enough. This is called "perishable insights" in "live flowing data". For example, if the geolocation of a customer is known to a business, the business can make offer based on the location, however if this data is not processed immediately, it may be irrelevant in the future. According to IBM, about 60 percent of data loses its value immediately. == Storage == According to the New York Times, 90% of energy used by data centres is wasted. If data was not stored, energy costs could be saved. Furthermore, there are costs associated with the underutilisation of information and thus missed opportunities. According to Datamation, "the storage environments of EMEA organizations consist of 54 percent dark data, 32 percent redundant, obsolete and trivial data and 14 percent business-critical data. By 2020, this can add up to $891 billion in storage and management costs that can otherwise be avoided." The continuous storage of dark data can put an organisation at risk, especially if this data is sensitive. In the case of a breach, this can result in serious repercussions. These can be financial, legal and can seriously hurt an organisation's reputation. For example, a breach of private records of customers could result in the stealing of sensitive information, which could result in identity theft. Another example could be the breach of the company's own sensitive information, for example relating to research and development. These risks can be mitigated by assessing and auditing whether this data is useful to the organisation, employing strong encryption and security and finally, if it is determined to be discarded, then it should be discarded in a way that it becomes unretrievable. == Future == It is generally considered that as more advanced computing systems for analysis of data are built, the higher the value of dark data will be. It has been noted that "data and analytics will be the foundation of the modern industrial revolution". Of course, this includes data that is currently considered "dark data" since there are not enough resources to process it. All this data that is being collected can be used in the future to bring maximum productivity and an ability for organisations to meet consumers' demand. Technology advancements are helping to leverage this dark data affordably. Furthermore, many organisations do not realise the value of dark data right now, for example in healthcare and education organisations deal with large amounts of data that could create a significant "potential to service students and patients in the manner in which the consumer and financial services pursue their target population".

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  • Computational heuristic intelligence

    Computational heuristic intelligence

    Computational heuristic intelligence (CHI) refers to specialized programming techniques in computational intelligence (also called artificial intelligence, or AI). These techniques have the express goal of avoiding complexity issues, also called NP-hard problems, by using human-like techniques. They are best summarized as the use of exemplar-based methods (heuristics), rather than rule-based methods (algorithms). Hence the term is distinct from the more conventional computational algorithmic intelligence, or symbolic AI. An example of a CHI technique is the encoding specificity principle of Tulving and Thompson. In general, CHI principles are problem solving techniques used by people, rather than programmed into machines. It is by drawing attention to this key distinction that the use of this term is justified in a field already replete with confusing neologisms. Note that the legal systems of all modern human societies employ both heuristics (generalisations of cases) from individual trial records as well as legislated statutes (rules) as regulatory guides. Another recent approach to the avoidance of complexity issues is to employ feedback control rather than feedforward modeling as a problem-solving paradigm. This approach has been called computational cybernetics, because (a) the term 'computational' is associated with conventional computer programming techniques which represent a strategic, compiled, or feedforward model of the problem, and (b) the term 'cybernetic' is associated with conventional system operation techniques which represent a tactical, interpreted, or feedback model of the problem. Of course, real programs and real problems both contain both feedforward and feedback components. A real example which illustrates this point is that of human cognition, which clearly involves both perceptual (bottom-up, feedback, sensor-oriented) and conceptual (top-down, feedforward, motor-oriented) information flows and hierarchies. The AI engineer must choose between mathematical and cybernetic problem solution and machine design paradigms. This is not a coding (program language) issue, but relates to understanding the relationship between the declarative and procedural programming paradigms. The vast majority of STEM professionals never get the opportunity to design or implement pure cybernetic solutions. When pushed, most responders will dismiss the importance of any difference by saying that all code can be reduced to a mathematical model anyway. Unfortunately, not only is this belief false, it fails most spectacularly in many AI scenarios. Mathematical models are not time agnostic, but by their very nature are pre-computed, i.e. feedforward. Dyer [2012] and Feldman [2004] have independently investigated the simplest of all somatic governance paradigms, namely control of a simple jointed limb by a single flexor muscle. They found that it is impossible to determine forces from limb positions- therefore, the problem cannot have a pre-computed (feedforward) mathematical solution. Instead, a top-down command bias signal changes the threshold feedback level in the sensorimotor loop, e.g. the loop formed by the afferent and efferent nerves, thus changing the so-called ‘equilibrium point’ of the flexor muscle/ elbow joint system. An overview of the arrangement reveals that global postures and limb position are commanded in feedforward terms, using global displacements (common coding), with the forces needed being computed locally by feedback loops. This method of sensorimotor unit governance, which is based upon what Anatol Feldman calls the ‘equilibrium Point’ theory, is formally equivalent to a servomechanism such as a car's ‘cruise control’.

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  • Artificial brain

    Artificial brain

    An artificial brain (or artificial mind) is software and hardware with cognitive abilities similar to those of the animal or human brain. Research investigating "artificial brains" and brain emulation plays three important roles in science: An ongoing attempt by neuroscientists to understand how the human brain works, known as cognitive neuroscience. A thought experiment in the philosophy of artificial intelligence, demonstrating that it is possible, at least in theory, to create a machine that has all the capabilities of a human being. A long-term project to create machines exhibiting behavior comparable to those of animals with complex central nervous system such as mammals and most particularly humans. The ultimate goal of creating a machine exhibiting human-like behavior or intelligence is sometimes called strong AI. An example of the first objective is the project reported by Aston University in Birmingham, England where researchers are using biological cells to create "neurospheres" (small clusters of neurons) in order to develop new treatments for diseases including Alzheimer's, motor neurone and Parkinson's disease. The second objective is a reply to arguments such as John Searle's Chinese room argument, Hubert Dreyfus's critique of AI or Roger Penrose's argument in The Emperor's New Mind. These critics argued that there are aspects of human consciousness or expertise that can not be simulated by machines. One reply to their arguments is that the biological processes inside the brain can be simulated to any degree of accuracy. This reply was made as early as 1950, by Alan Turing in his classic paper "Computing Machinery and Intelligence". The third objective is generally called artificial general intelligence by researchers. However, Ray Kurzweil prefers the term "strong AI". In his book The Singularity is Near, he focuses on whole brain emulation using conventional computing machines as an approach to implementing artificial brains, and claims (on grounds of computer power continuing an exponential growth trend) that this could be done by 2025. Henry Markram, director of the Blue Brain project (which is attempting brain emulation), made a similar claim (2020) at the Oxford TED conference in 2009. == Approaches to brain simulation == W. Ross Ashby's pioneering work in cybernetics provided an early mathematical framework for understanding adaptive brain-like systems. In his 1952 book Design for a Brain, Ashby proposed that the brain could be modeled as an ultrastable system that maintains equilibrium through continuous adaptation to environmental perturbations. His approach used differential equations and state-space models to describe how neural systems could exhibit purposeful behavior through feedback mechanisms. Ashby's homeostat, a physical machine built in 1948, demonstrated these principles through an electromechanical device with four interconnected units that automatically adjusted their parameters to maintain stability when disturbed. The homeostat represented one of the first attempts to build an artificial system exhibiting brain-like adaptive behavior, influencing subsequent work in adaptive systems, neural networks, and artificial intelligence. Although direct human brain emulation using artificial neural networks on a high-performance computing engine is a commonly discussed approach, there are other approaches. An alternative artificial brain implementation could be based on Holographic Neural Technology (HNeT) non linear phase coherence/decoherence principles. The analogy has been made to quantum processes through the core synaptic algorithm which has strong similarities to the quantum mechanical wave equation. EvBrain is a form of evolutionary software that can evolve "brainlike" neural networks, such as the network immediately behind the retina. In November 2008, IBM received a US$4.9 million grant from the Pentagon for research into creating intelligent computers. The Blue Brain project is being conducted with the assistance of IBM in Lausanne. The project is based on the premise that it is possible to artificially link the neurons "in the computer" by placing thirty million synapses in their proper three-dimensional position. Some proponents of strong AI speculated in 2009 that computers in connection with Blue Brain and Soul Catcher may exceed human intellectual capacity by around 2015, and that it is likely that we will be able to download the human brain at some time around 2050. While Blue Brain is able to represent complex neural connections on the large scale, the project does not achieve the link between brain activity and behaviors executed by the brain. In 2012, project Spaun (Semantic Pointer Architecture Unified Network) attempted to model multiple parts of the human brain through large-scale representations of neural connections that generate complex behaviors in addition to mapping. Spaun's design recreates elements of human brain anatomy. The model, consisting of approximately 2.5 million neurons, includes features of the visual and motor cortices, GABAergic and dopaminergic connections, the ventral tegmental area (VTA), substantia nigra, and others. The design allows for several functions in response to eight tasks, using visual inputs of typed or handwritten characters and outputs carried out by a mechanical arm. Spaun's functions include copying a drawing, recognizing images, and counting. There are good reasons to believe that, regardless of implementation strategy, the predictions of realising artificial brains in the near future are optimistic. In particular brains (including the human brain) and cognition are not currently well understood, and the scale of computation required is unknown. Another near term limitation is that all current approaches for brain simulation require orders of magnitude larger power consumption compared with a human brain. The human brain consumes about 20 W of power, whereas current supercomputers may use as much as 1 MW—i.e., an order of 100,000 more. == Artificial brain thought experiment == Some critics of brain simulation believe that it is simpler to create general intelligent action directly without imitating nature. Some commentators have used the analogy that early attempts to construct flying machines modeled them after birds, but that modern aircraft do not look like birds.

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  • Rademacher complexity

    Rademacher complexity

    In computational learning theory (machine learning and theory of computation), Rademacher complexity, named after Hans Rademacher, measures richness of a class of sets with respect to a probability distribution. The concept can also be extended to real valued functions. == Definitions == === Rademacher complexity of a set === Given a set A ⊆ R m {\displaystyle A\subseteq \mathbb {R} ^{m}} , the Rademacher complexity of A is defined as follows: Rad ⁡ ( A ) := 1 m E σ [ sup a ∈ A ∑ i = 1 m σ i a i ] {\displaystyle \operatorname {Rad} (A):={\frac {1}{m}}\mathbb {E} _{\sigma }\left[\sup _{a\in A}\sum _{i=1}^{m}\sigma _{i}a_{i}\right]} where σ 1 , σ 2 , … , σ m {\displaystyle \sigma _{1},\sigma _{2},\dots ,\sigma _{m}} are independent random variables drawn from the Rademacher distribution i.e. Pr ( σ i = + 1 ) = Pr ( σ i = − 1 ) = 1 / 2 {\displaystyle \Pr(\sigma _{i}=+1)=\Pr(\sigma _{i}=-1)=1/2} for i ∈ { 1 , 2 , … , m } {\displaystyle i\in \{1,2,\dots ,m\}} , and a = ( a 1 , … , a m ) ∈ A {\displaystyle a=(a_{1},\ldots ,a_{m})\in A} . Some authors take the absolute value of the sum before taking the supremum, but if A {\displaystyle A} is symmetric this makes no difference. === Rademacher complexity of a function class === Let S = { z 1 , z 2 , … , z m } ⊆ Z {\displaystyle S=\{z_{1},z_{2},\dots ,z_{m}\}\subseteq Z} be a sample of points and consider a function class F {\displaystyle {\mathcal {F}}} of real-valued functions over Z {\displaystyle Z} . Then, the empirical Rademacher complexity of F {\displaystyle {\mathcal {F}}} given S {\displaystyle S} is defined as: Rad S ⁡ ( F ) = 1 m E σ [ sup f ∈ F | ∑ i = 1 m σ i f ( z i ) | ] {\displaystyle \operatorname {Rad} _{S}({\mathcal {F}})={\frac {1}{m}}\mathbb {E} _{\sigma }\left[\sup _{f\in {\mathcal {F}}}\left|\sum _{i=1}^{m}\sigma _{i}f(z_{i})\right|\right]} This can also be written using the previous definition: Rad S ⁡ ( F ) = Rad ⁡ ( F ∘ S ) {\displaystyle \operatorname {Rad} _{S}({\mathcal {F}})=\operatorname {Rad} ({\mathcal {F}}\circ S)} where F ∘ S {\displaystyle {\mathcal {F}}\circ S} denotes function composition, i.e.: F ∘ S := { ( f ( z 1 ) , … , f ( z m ) ) ∣ f ∈ F } {\displaystyle {\mathcal {F}}\circ S:=\{(f(z_{1}),\ldots ,f(z_{m}))\mid f\in {\mathcal {F}}\}} The worst case empirical Rademacher complexity is Rad ¯ m ( F ) = sup S = { z 1 , … , z m } Rad S ⁡ ( F ) {\displaystyle {\overline {\operatorname {Rad} }}_{m}({\mathcal {F}})=\sup _{S=\{z_{1},\dots ,z_{m}\}}\operatorname {Rad} _{S}({\mathcal {F}})} Let P {\displaystyle P} be a probability distribution over Z {\displaystyle Z} . The Rademacher complexity of the function class F {\displaystyle {\mathcal {F}}} with respect to P {\displaystyle P} for sample size m {\displaystyle m} is: Rad P , m ⁡ ( F ) := E S ∼ P m [ Rad S ⁡ ( F ) ] {\displaystyle \operatorname {Rad} _{P,m}({\mathcal {F}}):=\mathbb {E} _{S\sim P^{m}}\left[\operatorname {Rad} _{S}({\mathcal {F}})\right]} where the above expectation is taken over an identically independently distributed (i.i.d.) sample S = ( z 1 , z 2 , … , z m ) {\displaystyle S=(z_{1},z_{2},\dots ,z_{m})} generated according to P {\displaystyle P} . == Intuition == The Rademacher complexity is typically applied on a function class of models that are used for classification, with the goal of measuring their ability to classify points drawn from a probability space under arbitrary labellings. When the function class is rich enough, it contains functions that can appropriately adapt for each arrangement of labels, simulated by the random draw of σ i {\displaystyle \sigma _{i}} under the expectation, so that this quantity in the sum is maximized. The Rademacher complexity of a set A {\displaystyle A} can be rewritten as Rad ⁡ ( A ) := 1 m E σ [ sup a ∈ A ∑ i = 1 m σ i a i ] = 1 m 2 m ∑ σ ∈ { − 1 / m , + 1 / m } m [ sup a ∈ A ⟨ σ , a ⟩ ] . {\displaystyle \operatorname {Rad} (A):={\frac {1}{m}}\mathbb {E} _{\sigma }\left[\sup _{a\in A}\sum _{i=1}^{m}\sigma _{i}a_{i}\right]={\frac {1}{{\sqrt {m}}2^{m}}}\sum _{\sigma \in \{-1/{\sqrt {m}},+1/{\sqrt {m}}\}^{m}}\left[\sup _{a\in A}\langle \sigma ,a\rangle \right].} Each term in the summation is the farthest distance of the set A {\displaystyle A} from the origin, along a unit-length direction σ {\displaystyle \sigma } . The directions are along the vertices of a hypercube. Thus, we can also write it as Rad ⁡ ( A ) = 1 2 m 1 2 m − 1 ∑ σ ∈ { − 1 / m , + 1 / m } m / { − 1 , + 1 } [ sup a ∈ A ⟨ σ , a ⟩ − inf a ∈ A ⟨ σ , a ⟩ ] {\displaystyle \operatorname {Rad} (A)={\frac {1}{2{\sqrt {m}}}}{\frac {1}{2^{m-1}}}\sum _{\sigma \in \{-1/{\sqrt {m}},+1/{\sqrt {m}}\}^{m}/\{-1,+1\}}\left[\sup _{a\in A}\langle \sigma ,a\rangle -\inf _{a\in A}\langle \sigma ,a\rangle \right]} Here, the set { − 1 / m , + 1 / m } m / { − 1 , + 1 } {\displaystyle \{-1/{\sqrt {m}},+1/{\sqrt {m}}\}^{m}/\{-1,+1\}} denotes half of the vertices of a hypercube, selected so that each diagonal has exactly one vertex selected. In words, this states that 2 m Rad ⁡ ( A ) {\displaystyle 2{\sqrt {m}}\operatorname {Rad} (A)} is precisely the average width of the set A {\displaystyle A} along all diagonal directions of a hypercube. == Examples == A singleton set has 0 width in any direction, so it has Rademacher complexity 0. The set A = { ( 1 , 1 ) , ( 1 , 2 ) } ⊆ R 2 {\displaystyle A=\{(1,1),(1,2)\}\subseteq \mathbb {R} ^{2}} has average width 1 / 2 {\displaystyle 1/{\sqrt {2}}} along the two diagonal directions of the square, so it has Rademacher complexity 1 / 4 {\displaystyle 1/4} . The unit cube [ 0 , 1 ] m {\displaystyle [0,1]^{m}} has constant width m {\displaystyle {\sqrt {m}}} along the diagonal directions, so it has Rademacher complexity 1 / 2 {\displaystyle 1/2} . Similarly, the unit cross-polytope { x ∈ R m : ‖ x ‖ 1 ≤ 1 } {\displaystyle \{x\in \mathbb {R} ^{m}:\|x\|_{1}\leq 1\}} has constant width 2 / m {\displaystyle 2/{\sqrt {m}}} along the diagonal directions, so it has Rademacher complexity 1 / m {\displaystyle 1/m} . == Using the Rademacher complexity == The Rademacher complexity can be used to derive data-dependent upper-bounds on the learnability of function classes. Intuitively, a function-class with smaller Rademacher complexity is easier to learn. === Bounding the representativeness === In machine learning, it is desired to have a training set that represents the true distribution of some sample data S {\displaystyle S} . This can be quantified using the notion of representativeness. Denote by P {\displaystyle P} the probability distribution from which the samples are drawn. Denote by H {\displaystyle H} the set of hypotheses (potential classifiers) and denote by F {\displaystyle {\mathcal {F}}} the corresponding set of error functions, i.e., for every hypothesis h ∈ H {\displaystyle h\in H} , there is a function f h ∈ F {\displaystyle f_{h}\in F} , that maps each training sample (features,label) to the error of the classifier h {\displaystyle h} (note in this case hypothesis and classifier are used interchangeably). For example, in the case that h {\displaystyle h} represents a binary classifier, the error function is a 0–1 loss function, i.e. the error function f h {\displaystyle f_{h}} returns 0 if h {\displaystyle h} correctly classifies a sample and 1 else. We omit the index and write f {\displaystyle f} instead of f h {\displaystyle f_{h}} when the underlying hypothesis is irrelevant. Define: L P ( f ) := E z ∼ P [ f ( z ) ] {\displaystyle L_{P}(f):=\mathbb {E} _{z\sim P}[f(z)]} – the expected error of some error function f ∈ F {\displaystyle f\in {\mathcal {F}}} on the real distribution P {\displaystyle P} ; L S ( f ) := 1 m ∑ i = 1 m f ( z i ) {\displaystyle L_{S}(f):={1 \over m}\sum _{i=1}^{m}f(z_{i})} – the estimated error of some error function f ∈ F {\displaystyle f\in {\mathcal {F}}} on the sample S {\displaystyle S} . The representativeness of the sample S {\displaystyle S} , with respect to P {\displaystyle P} and F {\displaystyle {\mathcal {F}}} , is defined as: Rep P ⁡ ( F , S ) := sup f ∈ F ( L P ( f ) − L S ( f ) ) {\displaystyle \operatorname {Rep} _{P}({\mathcal {F}},S):=\sup _{f\in F}(L_{P}(f)-L_{S}(f))} Smaller representativeness is better, since it provides a way to avoid overfitting: it means that the true error of a classifier is not much higher than its estimated error, and so selecting a classifier that has low estimated error will ensure that the true error is also low. Note however that the concept of representativeness is relative and hence can not be compared across distinct samples. The expected representativeness of a sample can be bounded above by the Rademacher complexity of the function class: If F {\displaystyle {\mathcal {F}}} is a set of functions with range within [ 0 , 1 ] {\displaystyle [0,1]} , then Rad P , m ⁡ ( F ) − ln ⁡ 2 2 m ≤ E S ∼ P m [ Rep P ⁡ ( F , S ) ] ≤ 2 Rad P , m ⁡ ( F ) {\displaystyle \operatorname {Rad} _{P,m}({\mathcal {F}})-{\sqrt {\frac {\ln 2}{2m}}}\leq \mathbb {E} _{S\sim P^{m}}[\operatorname {Rep} _{P}({\

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  • Deep image prior

    Deep image prior

    Deep image prior is a type of convolutional neural network used to enhance a given image with no prior training data other than the image itself. A neural network is randomly initialized and used as prior to solve inverse problems such as noise reduction, super-resolution, and inpainting. Image statistics are captured by the structure of a convolutional image generator rather than by any previously learned capabilities. == Method == === Background === Inverse problems such as noise reduction, super-resolution, and inpainting can be formulated as the optimization task x ∗ = m i n x E ( x ; x 0 ) + R ( x ) {\displaystyle x^{}=min_{x}E(x;x_{0})+R(x)} , where x {\displaystyle x} is an image, x 0 {\displaystyle x_{0}} a corrupted representation of that image, E ( x ; x 0 ) {\displaystyle E(x;x_{0})} is a task-dependent data term, and R(x) is the regularizer. Deep neural networks learn a generator/decoder x = f θ ( z ) {\displaystyle x=f_{\theta }(z)} which maps a random code vector z {\displaystyle z} to an image x {\displaystyle x} . The image corruption method used to generate x 0 {\displaystyle x_{0}} is selected for the specific application. === Specifics === In this approach, the R ( x ) {\displaystyle R(x)} prior is replaced with the implicit prior captured by the neural network (where R ( x ) = 0 {\displaystyle R(x)=0} for images that can be produced by a deep neural networks and R ( x ) = + ∞ {\displaystyle R(x)=+\infty } otherwise). This yields the equation for the minimizer θ ∗ = a r g m i n θ E ( f θ ( z ) ; x 0 ) {\displaystyle \theta ^{}=argmin_{\theta }E(f_{\theta }(z);x_{0})} and the result of the optimization process x ∗ = f θ ∗ ( z ) {\displaystyle x^{}=f_{\theta ^{}}(z)} . The minimizer θ ∗ {\displaystyle \theta ^{}} (typically a gradient descent) starts from a randomly initialized parameters and descends into a local best result to yield the x ∗ {\displaystyle x^{}} restoration function. ==== Overfitting ==== A parameter θ may be used to recover any image, including its noise. However, the network is reluctant to pick up noise because it contains high impedance while useful signal offers low impedance. This results in the θ parameter approaching a good-looking local optimum so long as the number of iterations in the optimization process remains low enough not to overfit data. === Deep Neural Network Model === Typically, the deep neural network model for deep image prior uses a U-Net like model without the skip connections that connect the encoder blocks with the decoder blocks. The authors in their paper mention that "Our findings here (and in other similar comparisons) seem to suggest that having deeper architecture is beneficial, and that having skip-connections that work so well for recognition tasks (such as semantic segmentation) is highly detrimental." == Applications == === Denoising === The principle of denoising is to recover an image x {\displaystyle x} from a noisy observation x 0 {\displaystyle x_{0}} , where x 0 = x + ϵ {\displaystyle x_{0}=x+\epsilon } . The distribution ϵ {\displaystyle \epsilon } is sometimes known (e.g.: profiling sensor and photon noise) and may optionally be incorporated into the model, though this process works well in blind denoising. The quadratic energy function E ( x , x 0 ) = | | x − x 0 | | 2 {\displaystyle E(x,x_{0})=||x-x_{0}||^{2}} is used as the data term, plugging it into the equation for θ ∗ {\displaystyle \theta ^{}} yields the optimization problem m i n θ | | f θ ( z ) − x 0 | | 2 {\displaystyle min_{\theta }||f_{\theta }(z)-x_{0}||^{2}} . === Super-resolution === Super-resolution is used to generate a higher resolution version of image x. The data term is set to E ( x ; x 0 ) = | | d ( x ) − x 0 | | 2 {\displaystyle E(x;x_{0})=||d(x)-x_{0}||^{2}} where d(·) is a downsampling operator such as Lanczos that decimates the image by a factor t. === Inpainting === Inpainting is used to reconstruct a missing area in an image x 0 {\displaystyle x_{0}} . These missing pixels are defined as the binary mask m ∈ { 0 , 1 } H × V {\displaystyle m\in \{0,1\}^{H\times V}} . The data term is defined as E ( x ; x 0 ) = | | ( x − x 0 ) ⊙ m | | 2 {\displaystyle E(x;x_{0})=||(x-x_{0})\odot m||^{2}} (where ⊙ {\displaystyle \odot } is the Hadamard product). The intuition behind this is that the loss is computed only on the known pixels in the image, and the network is going to learn enough about the image to fill in unknown parts of the image even though the computed loss doesn't include those pixels. This strategy is used to remove image watermarks by treating the watermark as missing pixels in the image. === Flash–no-flash reconstruction === This approach may be extended to multiple images. A straightforward example mentioned by the author is the reconstruction of an image to obtain natural light and clarity from a flash–no-flash pair. Video reconstruction is possible but it requires optimizations to take into account the spatial differences. == Implementations == A reference implementation rewritten in Python 3.6 with the PyTorch 0.4.0 library was released by the author under the Apache 2.0 license: deep-image-prior A TensorFlow-based implementation written in Python 2 and released under the CC-SA 3.0 license: deep-image-prior-tensorflow A Keras-based implementation written in Python 2 and released under the GPLv3: machine_learning_denoising == Example == See Astronomy Picture of the Day (APOD) of 2024-02-18

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  • Edge inference

    Edge inference

    Edge inference is the process of running machine learning or deep learning models on local devices (edge devices) such as smartphones, IoT devices, embedded systems, and edge servers instead of centralized cloud computing infrastructure. A key feature of edge computing is edge inference, which allows for real-time data processing, low latency, and improved privacy by reducing the amount of data sent to remote servers.

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  • AI warfare

    AI warfare

    AI warfare refers to the use of artificial intelligence technologies to automate military operation and enhance or bypass human decision-making in armed conflicts. AI is used to rapidly analyze large volumes of military intelligence data, including making recommendations or decisions on who and what to target. Abdul-Rahman al-Rawi, a 20-year-old student, was the first acknowledged civilian killed by AI-assisted airstrike in a U.S. strike in Iraq in 2024. In 2026, the U.S. declared it would become an 'AI-first' warfighting force. Husain et al (2018) coined the term hyperwar to refer to warfare which is algorithmic or controlled by artificial intelligence, with little to no human decision-making. == 2026 Iran war == The 2026 Iran war has been described as the "first AI war", although the Untied States and Israel have previously used AI to identify targets during the Gaza war. The U.S. has used AI tools to attack Iran. These tools have been used for military intelligence, targeting, and damage assessment in the war in Iran. Using the Maven smart system, the U.S. attacked 1,000 targets in the first 24 hours of the war and 5,000 targets over the course of 10 days. While the U.S. had used Maven in 2022 to share targeting information with Ukraine and strike against Iraq, Syria, and against the Houthis in 2024, Iran's attacks are its biggest. Authorities are looking into whether artificial intelligence was involved in the airstrike on an Iranian girls' school that killed 170 civilians, the majority of whom were female students. The United States Central Command emphasized that humans were making final targeting decisions. Per a White House tally released on April 8, the U.S. military hit over 13,000 targets in Iran during the war's first 38 days, including more than 2,000 command-and-control sites, 1,500 air defense targets, and 1,450 industrial infrastructure targets. == Gaza war == As part of the Gaza war, the Israel Defense Forces (IDF) have used artificial intelligence to rapidly and automatically perform much of the process of determining what to bomb. IDF's Unit 8200 developed AI systems, dubbed the Gospel and Lavender, to find targets for the Israeli Air Force to bomb. The Gospel automatically provides targeting recommendations to human analysts, who decide whether to approve strikes. Lavender identified 37,000 Hamas-linked individuals early in the war, and was used alongside the Gospel, which chooses buildings or structures as targets. According to a report by +972 Magazine and Local Call, strikes assisted by Lavender were routinely permitted to kill 5–20 civilians for each suspected Hamas militant, who were often bombed at home with their families. The IDF denies these claims, maintaining that every strike is assessed to minimize collateral damage, and that there is no policy "to kill tens of thousands of people in their homes." Israel deployed AI technologies during the Gaza war for audio analysis, facial recognition, and airstrike targeting. One such system was used to help identify the location of Hamas commander Ibrahim Biari through phone call analysis, leading to strikes that killed him as well as more than 125 civilians. == 2022 Russian Ukraine war == Kyiv launched a project with Palantir called Brave1 Dataroom to build AI systems using the extensive combat data Ukraine has gathered since Russia’s full-scale invasion in 2022. The country has also created tools for in-depth airstrike analysis, introduced AI to process large volumes of intelligence, and incorporated these technologies into the planning of long-range strike operations. == Involved companies == Maven Smart System is developed by Palantir. It integrates Anthropic's Claude as its large language model, and uses Amazon's AWS servers as its cloud infrastructure. Since Anthropic's refusal to support autonomous weapons development and domestic surveillance efforts. In its place, other AI firms, including OpenAI, have been brought in to take over that role. == Involved state actors == In 2024, the United States Department of Defense had 800-plus active AI-related projects and requested $1.8 billion in AI funding, with Project Maven and Project Artemis (AI-resistant drones developed together with Ukraine) being the main ones. The technology has been used in Iran, Iraq, Syria and Yemen to identify targets. China is pursuing intelligentized warfare, integrating AI across all combat domains—land, sea, air, space, and cyber—with military AI spending exceeding $1.6 billion annually. == International regulation == Since 2014, states meeting within the framework of the Convention on Certain Conventional Weapons have discussed lethal autonomous weapon systems. In 2016, the treaty's states parties established an open-ended Group of Governmental Experts on Lethal Autonomous Weapons Systems to continue those discussions. The discussions have addressed international humanitarian law, accountability, possible prohibitions and regulations, and the extent of human control required over AI-enabled weapons.

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  • Label noise

    Label noise

    Label noise refers to errors or inaccuracies in the class labels of data instances. This is a widespread issue in machine learning datasets, arising from human annotator mistakes, unclear labeling instructions, automated labeling methods, or adversarial attacks in supervised learning. Label noise can be roughly divided into random noise, where labels are flipped independently of input features, and systematic noise, where mislabeling is dependent on certain patterns or biases in the data. Label noise can be damaging to model performance, especially for complex models that may overfit to noisy labels rather than generalizable patterns. Many approaches have been proposed to deal with the effects of label noise, including robust loss functions, noise-tolerant algorithms, data cleaning methods, and semi-supervised learning approaches. To reduce the impact of wrong labels during training, techniques like label smoothing, sample reweighting and using trusted validation sets are used. The role of noise-robust training paradigms and curriculum learning strategies to improve resilience against mislabeled data is also explored in recent research.

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  • GamePigeon

    GamePigeon

    GamePigeon is a mobile app for iOS devices, developed by Vitalii Zlotskii and released on September 13, 2016. The game takes advantage of the iOS 10 update, which expanded how users could interact with Apple's Messages app. GamePigeon is only available through the Messages app, which allows players to start and respond to different party games in conversations. == Release == The app was first released on September 13, 2016, coinciding with the launch of iOS 10. The app was released for free, although it includes in-app purchases to unlock additional items, such as cosmetic skins, avatar items, new game modes, and an option to remove ads. == Games in the app == The following is a list of games that users can play within GamePigeon: Sources: Poker was one of the games included in GamePigeon at launch, although it has since been removed and is no longer listed on the game's App Store description. == Reception == GamePigeon has enjoyed commercial success, with VentureBeat noting that GamePigeon was ranked number-one in the "Top Free" category of the iMessage App Store, six months after its release. Critically, GamePigeon has been generally well received, being highlighted by online media publications early on shortly after the iOS 10 launch. It has since been included on many "best iMessage apps" lists. Based on over 162,000 ratings, the game holds a 4.0 out of 5 rating on the App Store. Julian Chokkattu of Digital Trends wrote "GamePigeon should be like the pre-installed versions of Solitaire and Minesweeper that used to come with older iterations of Windows." On its launch day, Boy Genius Report included it on a list of "10 of the best iMessage apps, games and stickers for iOS 10 on launch day." The Daily Dot wrote, "GamePigeon is easily the best current gaming option within iMessages." 8-ball and cup pong have been particularly well received by media outlets. The Daily Dot had specific praise for the app's billiards game: "8-Ball controls shockingly smoothly with your fingers, and there’s nothing quite like destroying a dear friend in poker." During his 2020 U.S. presidential campaign, Cory Booker was cited as playing the game with his family. In 2017, CNBC cited one teenager who expressed that GamePigeon was one of just a few reasons that those in her age range use the iMessage app. The game has received particular positive reception for allowing introverted individuals to exercise a form social activity; similarly, the game was highlighted as a way to maintain social distancing guidelines during the COVID-19 pandemic. As an April Fools' Day joke in 2020, The Chronicle, a Duke University newspaper, published that Duke's athletic program adopted GamePigeon's Cup Pong as an official varsity sport.

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  • Kernel density estimation

    Kernel density estimation

    In statistics, kernel density estimation (KDE) is the application of kernel smoothing for probability density estimation, i.e., a non-parametric method to estimate the probability density function of a random variable based on kernels as weights. KDE answers a fundamental data smoothing problem where inferences about the population are made based on a finite data sample. In some fields such as signal processing and econometrics it is also termed the Parzen–Rosenblatt window method, after Emanuel Parzen and Murray Rosenblatt, who are usually credited with independently creating it in its current form. One of the famous applications of kernel density estimation is in estimating the class-conditional marginal densities of data when using a naive Bayes classifier, which can improve its prediction accuracy. == Definition == Let x = ( x 1 , x 2 , x 3 , . . . ) {\displaystyle \mathbf {x} =\left(x_{1},x_{2},x_{3},...\right)} be independent and identically distributed samples drawn from some univariate distribution with an unknown density f at any given point x. We are interested in estimating the shape of this function f. Its kernel density estimator is f ^ h ( x ) = 1 n ∑ i = 1 n K h ( x − x i ) = 1 n h ∑ i = 1 n K ( x − x i h ) , {\displaystyle {\hat {f}}_{h}(x)={\frac {1}{n}}\sum _{i=1}^{n}K_{h}(x-x_{i})={\frac {1}{nh}}\sum _{i=1}^{n}K{\left({\frac {x-x_{i}}{h}}\right)},} where K is the kernel — a non-negative function — and h > 0 is a smoothing parameter called the bandwidth or simply width. A kernel with subscript h is called the scaled kernel and defined as Kh(x) = ⁠1/h⁠ K(⁠x/h⁠). Intuitively one wants to choose h as small as the data will allow; however, there is always a trade-off between the bias of the estimator and its variance. The choice of bandwidth is discussed in more detail below. A range of kernel functions are commonly used: uniform, triangular, biweight, triweight, Epanechnikov (parabolic), normal, and others. The Epanechnikov kernel is optimal in a mean square error sense, though the loss of efficiency is small for the kernels listed previously. Due to its convenient mathematical properties, the normal kernel is often used, which means K(x) = ϕ(x), where ϕ is the standard normal density function. The kernel density estimator then becomes f ^ h ( x ) = 1 n ∑ i = 1 n 1 h 2 π exp ⁡ ( − ( x − x i ) 2 2 h 2 ) , {\displaystyle {\hat {f}}_{h}(x)={\frac {1}{n}}\sum _{i=1}^{n}{\frac {1}{h{\sqrt {2\pi }}}}\exp \left({\frac {-(x-x_{i})^{2}}{2h^{2}}}\right),} where h {\displaystyle h} is the standard deviation of the sample x {\displaystyle \mathbf {x} } . The construction of a kernel density estimate finds interpretations in fields outside of density estimation. For example, in thermodynamics, this is equivalent to the amount of heat generated when heat kernels (the fundamental solution to the heat equation) are placed at each data point locations xi. Similar methods are used to construct discrete Laplace operators on point clouds for manifold learning (e.g. diffusion map). == Example == Kernel density estimates are closely related to histograms, but can be endowed with properties such as smoothness or continuity by using a suitable kernel. The diagram below based on these 6 data points illustrates this relationship: For the histogram, first, the horizontal axis is divided into sub-intervals or bins which cover the range of the data: In this case, six bins each of width 2. Whenever a data point falls inside this interval, a box of height 1/12 is placed there. If more than one data point falls inside the same bin, the boxes are stacked on top of each other. For the kernel density estimate, normal kernels with a standard deviation of 1.5 (indicated by the red dashed lines) are placed on each of the data points xi. The kernels are summed to make the kernel density estimate (solid blue curve). The smoothness of the kernel density estimate (compared to the discreteness of the histogram) illustrates how kernel density estimates converge faster to the true underlying density for continuous random variables. == Bandwidth selection == The bandwidth of the kernel is a free parameter which exhibits a strong influence on the resulting estimate. To illustrate its effect, we take a simulated random sample from the standard normal distribution (plotted at the blue spikes in the rug plot on the horizontal axis). The grey curve is the true density (a normal density with mean 0 and variance 1). In comparison, the red curve is undersmoothed since it contains too many spurious data artifacts arising from using a bandwidth h = 0.05, which is too small. The green curve is oversmoothed since using the bandwidth h = 2 obscures much of the underlying structure. The black curve with a bandwidth of h = 0.337 is considered to be optimally smoothed since its density estimate is close to the true density. An extreme situation is encountered in the limit h → 0 {\displaystyle h\to 0} (no smoothing), where the estimate is a sum of n delta functions centered at the coordinates of analyzed samples. In the other extreme limit h → ∞ {\displaystyle h\to \infty } the estimate retains the shape of the used kernel, centered on the mean of the samples (completely smooth). The most common optimality criterion used to select this parameter is the expected L2 risk function, also termed the mean integrated squared error: MISE ⁡ ( h ) = E [ ∫ ( f ^ h ( x ) − f ( x ) ) 2 d x ] {\displaystyle \operatorname {MISE} (h)=\operatorname {E} \!\left[\int \!{\left({\hat {f}}\!_{h}(x)-f(x)\right)}^{2}dx\right]} Under weak assumptions on f and K, (f is the, generally unknown, real density function), MISE ⁡ ( h ) = AMISE ⁡ ( h ) + o ( ( n h ) − 1 + h 4 ) {\displaystyle \operatorname {MISE} (h)=\operatorname {AMISE} (h)+{\mathcal {o}}{\left((nh)^{-1}+h^{4}\right)}} where o is the little o notation, and n the sample size (as above). The AMISE is the asymptotic MISE, i. e. the two leading terms, AMISE ⁡ ( h ) = R ( K ) n h + 1 4 m 2 ( K ) 2 h 4 R ( f ″ ) {\displaystyle \operatorname {AMISE} (h)={\frac {R(K)}{nh}}+{\frac {1}{4}}m_{2}(K)^{2}h^{4}R(f'')} where R ( g ) = ∫ g ( x ) 2 d x {\textstyle R(g)=\int g(x)^{2}\,dx} for a function g, m 2 ( K ) = ∫ x 2 K ( x ) d x {\textstyle m_{2}(K)=\int x^{2}K(x)\,dx} and f ″ {\displaystyle f''} is the second derivative of f {\displaystyle f} and K {\displaystyle K} is the kernel. The minimum of this AMISE is the solution to this differential equation ∂ ∂ h AMISE ⁡ ( h ) = − R ( K ) n h 2 + m 2 ( K ) 2 h 3 R ( f ″ ) = 0 {\displaystyle {\frac {\partial }{\partial h}}\operatorname {AMISE} (h)=-{\frac {R(K)}{nh^{2}}}+m_{2}(K)^{2}h^{3}R(f'')=0} or h AMISE = R ( K ) 1 / 5 m 2 ( K ) 2 / 5 R ( f ″ ) 1 / 5 n − 1 / 5 = C n − 1 / 5 {\displaystyle h_{\operatorname {AMISE} }={\frac {R(K)^{1/5}}{m_{2}(K)^{2/5}R(f'')^{1/5}}}n^{-1/5}=Cn^{-1/5}} Neither the AMISE nor the hAMISE formulas can be used directly since they involve the unknown density function f {\displaystyle f} or its second derivative f ″ {\displaystyle f''} . To overcome that difficulty, a variety of automatic, data-based methods have been developed to select the bandwidth. Several review studies have been undertaken to compare their efficacies, with the general consensus that the plug-in selectors and cross validation selectors are the most useful over a wide range of data sets. Substituting any bandwidth h which has the same asymptotic order n−1/5 as hAMISE into the AMISE gives that AMISE(h) = O(n−4/5), where O is the big O notation. It can be shown that, under weak assumptions, there cannot exist a non-parametric estimator that converges at a faster rate than the kernel estimator. Note that the n−4/5 rate is slower than the typical n−1 convergence rate of parametric methods. If the bandwidth is not held fixed, but is varied depending upon the location of either the estimate (balloon estimator) or the samples (pointwise estimator), this produces a particularly powerful method termed adaptive or variable bandwidth kernel density estimation. Bandwidth selection for kernel density estimation of heavy-tailed distributions is relatively difficult. === A rule-of-thumb bandwidth estimator === If Gaussian basis functions are used to approximate univariate data, and the underlying density being estimated is Gaussian, the optimal choice for h (that is, the bandwidth that minimises the mean integrated squared error) is: h = ( 4 σ ^ 5 3 n ) 1 / 5 ≈ 1.06 σ ^ n − 1 / 5 , {\displaystyle h={\left({\frac {4{\hat {\sigma }}^{5}}{3n}}\right)}^{1/5}\approx 1.06\,{\hat {\sigma }}\,n^{-1/5},} An h {\displaystyle h} value is considered more robust when it improves the fit for long-tailed and skewed distributions or for bimodal mixture distributions. This is often done empirically by replacing the standard deviation σ ^ {\displaystyle {\hat {\sigma }}} by the parameter A {\displaystyle A} below: A = min ( σ ^ , I Q R 1.34 ) {\displaystyle A=\min \left({\hat {\sigma }},{\frac {\mathrm {IQR} }{1.34}}\right)} where IQR is the

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  • TensorFlow Hub

    TensorFlow Hub

    TensorFlow Hub (also styled TF Hub) is an open-source machine learning library and online repository that provides TensorFlow model components, called modules. It is maintained by Google as part of the TensorFlow ecosystem and allows developers to discover, publish, and reuse pretrained models for tasks such as computer vision, natural language processing, and transfer learning. == Overview == TensorFlow Hub provides a central platform where developers and researchers can access pre-trained models and integrate them directly into TensorFlow workflows. Each module encapsulates a computation graph and its trained weights, with standardized input and output signatures. Modules can be loaded using the hub.load() function or through Keras integration via hub.KerasLayer, enabling users to perform transfer learning or feature extraction. == History == TensorFlow Hub was announced by Google in March 2018, with the first public version released shortly after. Its introduction coincided with the growing adoption of transfer learning techniques and the need for standardized model packaging. Over time, the hub expanded to include models such as the BERT family, MobileNet, EfficientNet, and the Universal Sentence Encoder. In 2020, research on “Regret selection in TensorFlow Hub” explored the problem of identifying optimal models for downstream tasks given a large repository of alternatives. == Applications == TensorFlow Hub hosts a variety of models across machine learning domains: Natural language processing: BERT, ALBERT language model, and Universal Sentence Encoder. Computer vision: ResNet, Inception (deep learning), MobileNet, EfficientNet. Speech and audio: spectrogram feature extractors and automatic speech recognition models. Multilingual embeddings: cross-lingual and sentence-level representations for machine translation and semantic similarity. Modules are widely used in education, academic research, and industry for prototyping and production deployment.

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