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Behavior informatics

Behavior informatics (BI) is the informatics of behaviors so as to obtain behavior intelligence and behavior insights. BI is a research method combining science and technology, specifically in the area of engineering. The purpose of BI includes analysis of current behaviors as well as the inference of future possible behaviors. This occurs through pattern recognition. Different from applied behavior analysis from the psychological perspective, BI builds computational theories, systems and tools to qualitatively and quantitatively model, represent, analyze, and manage behaviors of individuals, groups and/or organizations. BI is built on classic study of behavioral science, including behavior modeling, applied behavior analysis, behavior analysis, behavioral economics, and organizational behavior. Typical BI tasks consist of individual and group behavior formation, representation, computational modeling, analysis, learning, simulation, and understanding of behavior impact, utility, non-occurring behaviors, etc. for behavior intervention and management. The Behavior Informatics approach to data utilizes cognitive as well as behavioral data. By combining the data, BI has the potential to effectively illustrate the big picture when it comes to behavioral decisions and patterns. One of the goals of BI is also to be able to study human behavior while eliminating issues like self-report bias. This creates more reliable and valid information for research studies. == Behavior == From an Informatics perspective, a behavior consists of three key elements: actors (behavioral subjects and objects), operations (actions, activities) and interactions (relationships), and their properties. A behavior can be represented as a behavior vector, all behaviors of an actor or an actor group can be represented as behavior sequences and multi-dimensional behavior matrix. The following table explains some of the elements of behavior. Behavior Informatics takes into account behavior when analyzing business patterns and intelligence. The inclusion of behavior in these analyses provides prominent information on social and driving factors of patterns. == Applications == Behavior Informatics is being used in a variety of settings, including but not limited to health care management, telecommunications, marketing, and security. Behavior Informatics provides a manner in which to analyze and organize the many aspects that go into a person's health care needs and decisions. When it comes to business models, behavior informatics may be utilized for a similar role. Organizations implement behavior informatics to enhance business structure and regime, where it helps moderate ideal business decisions and situations.
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Attention (machine learning)

In machine learning, attention is a method that determines the importance of each component in a sequence relative to the other components in that sequence. In natural language processing, importance is represented by "soft" weights assigned to each word in a sentence. More generally, attention encodes vectors called token embeddings across a fixed-width sequence that can range from tens to millions of tokens in size. Unlike "hard" weights, which are computed during the backwards training pass, "soft" weights exist only in the forward pass and therefore change with every step of the input. Earlier designs implemented the attention mechanism in a serial recurrent neural network (RNN) language translation system, but a more recent design, namely the transformer, removed the slower sequential RNN and relied more heavily on the faster parallel attention scheme. Inspired by ideas about attention in humans, the attention mechanism was developed to address the weaknesses of using information from the hidden layers of recurrent neural networks. Recurrent neural networks favor information contained in words at the end of a sentence and thus deemed more recent, thereby tending to attenuate the significance and associated predictive weight assigned to information earlier in the sentence. Attention allows a token equal access to any part of a sentence directly, rather than only through the previous state. == History == Additional surveys of the attention mechanism in deep learning are provided by Niu et al. and Soydaner. The major breakthrough came with self-attention, where each element in the input sequence attends to all others, enabling the model to capture global dependencies. This idea was central to the Transformer architecture, which replaced recurrence with attention mechanisms. As a result, Transformers became the foundation for models like BERT, T5 and generative pre-trained transformers (GPT). == Overview == The modern era of machine attention was revitalized by grafting an attention mechanism (Fig 1. orange) to an Encoder-Decoder. Figure 2 shows the internal step-by-step operation of the attention block (A) in Fig 1. === Interpreting attention weights === In translating between languages, alignment is the process of matching words from the source sentence to words of the translated sentence. Networks that perform verbatim translation without regard to word order would show the highest scores along the (dominant) diagonal of the matrix. The off-diagonal dominance shows that the attention mechanism is more nuanced. Consider an example of translating I love you to French. On the first pass through the decoder, 94% of the attention weight is on the first English word I, so the network offers the word je. On the second pass of the decoder, 88% of the attention weight is on the third English word you, so it offers t'. On the last pass, 95% of the attention weight is on the second English word love, so it offers aime. In the I love you example, the second word love is aligned with the third word aime. Stacking soft row vectors together for je, t', and aime yields an alignment matrix: Sometimes, alignment can be multiple-to-multiple. For example, the English phrase look it up corresponds to cherchez-le. Thus, "soft" attention weights work better than "hard" attention weights (setting one attention weight to 1, and the others to 0), as we would like the model to make a context vector consisting of a weighted sum of the hidden vectors, rather than "the best one", as there may not be a best hidden vector. == Variants == Many variants of attention implement soft weights, such as fast weight programmers, or fast weight controllers (1992). A "slow" neural network outputs the "fast" weights of another neural network through outer products. The slow network learns by gradient descent. It was later renamed as "linearized self-attention". Bahdanau-style attention, also referred to as additive attention, Luong-style attention, which is known as multiplicative attention, Early attention mechanisms similar to modern self-attention were proposed using recurrent neural networks. However, the highly parallelizable self-attention was introduced in 2017 and successfully used in the Transformer model, positional attention and factorized positional attention. For convolutional neural networks, attention mechanisms can be distinguished by the dimension on which they operate, namely: spatial attention, channel attention, or combinations. These variants recombine the encoder-side inputs to redistribute those effects to each target output. Often, a correlation-style matrix of dot products provides the re-weighting coefficients. In the figures below, W is the matrix of context attention weights, similar to the formula in Overview section above. == Optimizations == === Flash attention === The size of the attention matrix is proportional to the square of the number of input tokens. Therefore, when the input is long, calculating the attention matrix requires a lot of GPU memory. Flash attention is an implementation that reduces the memory needs and increases efficiency without sacrificing accuracy. It achieves this by partitioning the attention computation into smaller blocks that fit into the GPU's faster on-chip memory, reducing the need to store large intermediate matrices and thus lowering memory usage while increasing computational efficiency. === FlexAttention === FlexAttention is an attention kernel developed by Meta that allows users to modify attention scores prior to softmax and dynamically chooses the optimal attention algorithm. == Applications == Attention is widely used in natural language processing, computer vision, and speech recognition. In NLP, it improves context understanding in tasks like question answering and summarization. In vision, visual attention helps models focus on relevant image regions, enhancing object detection and image captioning. === Attention maps as explanations for vision transformers === From the original paper on vision transformers (ViT), visualizing attention scores as a heat map (called saliency maps or attention maps) has become an important and routine way to inspect the decision making process of ViT models. One can compute the attention maps with respect to any attention head at any layer, while the deeper layers tend to show more semantically meaningful visualization. Attention rollout is a recursive algorithm to combine attention scores across all layers, by computing the dot product of successive attention maps. Because vision transformers are typically trained in a self-supervised manner, attention maps are generally not class-sensitive. When a classification head is attached to the ViT backbone, class-discriminative attention maps (CDAM) combines attention maps and gradients with respect to the class [CLS] token. Some class-sensitive interpretability methods originally developed for convolutional neural networks can be also applied to ViT, such as GradCAM, which back-propagates the gradients to the outputs of the final attention layer. Using attention as basis of explanation for the transformers in language and vision is not without debate. While some pioneering papers analyzed and framed attention scores as explanations, higher attention scores do not always correlate with greater impact on model performances. == Mathematical representation == === Standard scaled dot-product attention === For matrices: Q ∈ R m × d k , K ∈ R n × d k {\displaystyle Q\in \mathbb {R} ^{m\times d_{k}},K\in \mathbb {R} ^{n\times d_{k}}} and V ∈ R n × d v {\displaystyle V\in \mathbb {R} ^{n\times d_{v}}} , the scaled dot-product, or QKV attention, is defined as: Attention ( Q , K , V ) = softmax ( Q K T d k ) V ∈ R m × d v {\displaystyle {\text{Attention}}(Q,K,V)={\text{softmax}}\left({\frac {QK^{T}}{\sqrt {d_{k}}}}\right)V\in \mathbb {R} ^{m\times d_{v}}} where T {\displaystyle {}^{T}} denotes transpose and the softmax function is applied independently to every row of its argument. The matrix Q {\displaystyle Q} contains m {\displaystyle m} queries, while matrices K , V {\displaystyle K,V} jointly contain an unordered set of n {\displaystyle n} key-value pairs. Value vectors in matrix V {\displaystyle V} are weighted using the weights resulting from the softmax operation, so that the rows of the m {\displaystyle m} -by- d v {\displaystyle d_{v}} output matrix are confined to the convex hull of the points in R d v {\displaystyle \mathbb {R} ^{d_{v}}} given by the rows of V {\displaystyle V} . To understand the permutation invariance and permutation equivariance properties of QKV attention, let A ∈ R m × m {\displaystyle A\in \mathbb {R} ^{m\times m}} and B ∈ R n × n {\displaystyle B\in \mathbb {R} ^{n\times n}} be permutation matrices; and D ∈ R m × n {\displaystyle D\in \mathbb {R} ^{m\times n}} an arbitrary matrix. The softmax function is permutation equivariant in the sense that: softmax ( A D B ) = A softmax ( D ) B {\displays
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Symbolic artificial intelligence

In artificial intelligence, symbolic artificial intelligence (also known as classical artificial intelligence or logic-based artificial intelligence) is the term for the collection of all methods in artificial intelligence research that are based on high-level symbolic (human-readable) representations of problems, logic, and search. Symbolic AI used tools such as logic programming, production rules, semantic nets and frames, and it developed applications such as knowledge-based systems (in particular, expert systems), symbolic mathematics, automated theorem provers, ontologies, the semantic web, and automated planning and scheduling systems. The Symbolic AI paradigm led to important ideas in search, symbolic programming languages, agents, multi-agent systems, the semantic web, and the strengths and limitations of formal knowledge and reasoning systems. Symbolic AI was the dominant paradigm of AI research from the mid-1950s until the mid-1990s. Researchers in the 1960s and the 1970s were convinced that symbolic approaches would eventually succeed in creating a machine with artificial general intelligence and considered this the ultimate goal of their field. An early boom, with early successes such as the Logic Theorist and Samuel's Checkers Playing Program, led to unrealistic expectations and promises and was followed by the first AI Winter as funding dried up. A second boom (1969–1986) occurred with the rise of expert systems, their promise of capturing corporate expertise, and an enthusiastic corporate embrace. That boom, and some early successes, e.g., with XCON at DEC, was followed again by later disappointment. Problems with difficulties in knowledge acquisition, maintaining large knowledge bases, and brittleness in handling out-of-domain problems arose. Another, second, AI Winter (1988–2011) followed. Subsequently, AI researchers focused on addressing underlying problems in handling uncertainty and in knowledge acquisition. Uncertainty was addressed with formal methods such as hidden Markov models, Bayesian reasoning, and statistical relational learning. Symbolic machine learning addressed the knowledge acquisition problem with contributions including Version Space, Valiant's PAC learning, Quinlan's ID3 decision-tree learning, case-based learning, and inductive logic programming to learn relations. Neural networks, a subsymbolic approach, had been pursued from early days and reemerged strongly in 2012. Early examples are Rosenblatt's perceptron learning work, the backpropagation work of Rumelhart, Hinton and Williams, and work in convolutional neural networks by LeCun et al. in 1989. However, neural networks were not viewed as successful until about 2012: "Until Big Data became commonplace, the general consensus in the Al community was that the so-called neural-network approach was hopeless. Systems just didn't work that well, compared to other methods. ... A revolution came in 2012, when a number of people, including a team of researchers working with Hinton, worked out a way to use the power of GPUs to enormously increase the power of neural networks." Over the next several years, deep learning had spectacular success in handling vision, speech recognition, speech synthesis, image generation, and machine translation, though symbolic approaches continue to be useful in a few domains such as computer algebra systems and proof assistants. == History == A short history of symbolic AI to the present day follows below. Time periods and titles are drawn from Henry Kautz's 2020 AAAI Robert S. Engelmore Memorial Lecture and the longer Wikipedia article on the History of AI, with dates and titles differing slightly for increased clarity. === The first AI summer: irrational exuberance, 1948–1966 === Success at early attempts in AI occurred in three main areas: artificial neural networks, knowledge representation, and heuristic search, contributing to high expectations. This section summarizes Kautz's reprise of early AI history. ==== Approaches inspired by human or animal cognition or behavior ==== Cybernetic approaches attempted to replicate the feedback loops between animals and their environments. A robotic turtle, with sensors, motors for driving and steering, and seven vacuum tubes for control, based on a preprogrammed neural net, was built as early as 1948. This work can be seen as an early precursor to later work in neural networks, reinforcement learning, and situated robotics. An important early symbolic AI program was the Logic theorist, written by Allen Newell, Herbert Simon and Cliff Shaw in 1955–56, as it was able to prove 38 elementary theorems from Whitehead and Russell's Principia Mathematica. Newell, Simon, and Shaw later generalized this work to create a domain-independent problem solver, GPS (General Problem Solver). GPS solved problems represented with formal operators via state-space search using means-ends analysis. During the 1960s, symbolic approaches achieved great success at simulating intelligent behavior in structured environments such as game-playing, symbolic mathematics, and theorem-proving. AI research was concentrated in four institutions in the 1960s: Carnegie Mellon University, Stanford, MIT and (later) University of Edinburgh. Each one developed its own style of research. Earlier approaches based on cybernetics or artificial neural networks were abandoned or pushed into the background. Herbert Simon and Allen Newell studied human problem-solving skills and attempted to formalize them, and their work laid the foundations of the field of artificial intelligence, as well as cognitive science, operations research and management science. Their research team used the results of psychological experiments to develop programs that simulated the techniques that people used to solve problems. This tradition, centered at Carnegie Mellon University would eventually culminate in the development of the Soar architecture in the middle 1980s. ==== Heuristic search ==== In addition to the highly specialized domain-specific kinds of knowledge that we will see later used in expert systems, early symbolic AI researchers discovered another more general application of knowledge. These were called heuristics, rules of thumb that guide a search in promising directions: "How can non-enumerative search be practical when the underlying problem is exponentially hard? The approach advocated by Simon and Newell is to employ heuristics: fast algorithms that may fail on some inputs or output suboptimal solutions." Another important advance was to find a way to apply these heuristics that guarantees a solution will be found, if there is one, not withstanding the occasional fallibility of heuristics: "The A algorithm provided a general frame for complete and optimal heuristically guided search. A is used as a subroutine within practically every AI algorithm today but is still no magic bullet; its guarantee of completeness is bought at the cost of worst-case exponential time. ==== Early work on knowledge representation and reasoning ==== Early work covered both applications of formal reasoning emphasizing first-order logic, along with attempts to handle common-sense reasoning in a less formal manner. ===== Modeling formal reasoning with logic: the "neats" ===== Unlike Simon and Newell, John McCarthy felt that machines did not need to simulate the exact mechanisms of human thought, but could instead try to find the essence of abstract reasoning and problem-solving with logic, regardless of whether people used the same algorithms. His laboratory at Stanford (SAIL) focused on using formal logic to solve a wide variety of problems, including knowledge representation, planning and learning. Logic was also the focus of the work at the University of Edinburgh and elsewhere in Europe which led to the development of the programming language Prolog and the science of logic programming. ===== Modeling implicit common-sense knowledge with frames and scripts: the "scruffies" ===== Researchers at MIT (such as Marvin Minsky and Seymour Papert) found that solving difficult problems in vision and natural language processing required ad hoc solutions—they argued that no simple and general principle (like logic) would capture all the aspects of intelligent behavior. Roger Schank described their "anti-logic" approaches as "scruffy" (as opposed to the "neat" paradigms at CMU and Stanford). Commonsense knowledge bases (such as Doug Lenat's Cyc) are an example of "scruffy" AI, since they must be built by hand, one complicated concept at a time. === The first AI winter: crushed dreams, 1967–1977 === The first AI winter was a shock: During the first AI summer, many people thought that machine intelligence could be achieved in just a few years. The Defense Advance Research Projects Agency (DARPA) launched programs to support AI research to use AI to solve problems of national security; in particular, to automate the translation of Russian to English for inte
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Decision list

Decision lists are a representation for Boolean functions which can be easily learned from examples. Single term decision lists are more expressive than disjunctions and conjunctions; however, 1-term decision lists are less expressive than the general disjunctive normal form and the conjunctive normal form. The language specified by a k-length decision list includes as a subset the language specified by a k-depth decision tree. Learning decision lists can be used for attribute efficient learning, a type of machine learning. == Definition == A decision list (DL) of length r is of the form: if f1 then output b1 else if f2 then output b2 ... else if fr then output br where fi is the ith formula and bi is the ith boolean for i ∈ { 1... r } {\displaystyle i\in \{1...r\}} . The last if-then-else is the default case, which means formula fr is always equal to true. A k-DL is a decision list where all of formulas have at most k terms. Sometimes "decision list" is used to refer to a 1-DL, where all of the formulas are either a variable or its negation.
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Umoove

Umoove is a high tech startup company that has developed and patented a software-only face and eye tracking technology. The idea was first conceived as an attempt to aid people with disabilities but has since evolved. The only compatibility qualification for tablet computers and smartphones to run Umoove software is a front-facing camera. Umoove headquarters are in Israel on Jerusalem’s Har Hotzvim. Umoove has 15 employees and received two million dollars in financing in 2012. The company's original founders invested around $800,000 to start the business in 2010. In 2013 Umoove was named one of the top three most promising Israeli start ups by Newsgeeks magazine. The company also participated in the 2013 LeWeb conference in Paris, France, where innovative technology startups are showcased. == Technology == The technology uses information extracted from previous frames, such as the angle of the user's head to predict where to look for facial targets in the next frame. This anticipation minimizes the amount of computation needed to scan each image. Umoove accounts for variances in environment, lighting conditions and user hand shake/movement. The technology is designed to provide a consistent experience, whether you're in a brightly lit area or a darkened basement, and to work fluidly between them by adapting its processing when it detects color and brightness shifts. It uses an active stabilization technique to filter out natural body movements from an unstable camera in order to minimize false-positive motion detection. Running the Umoove software on a Samsung Galaxy S3 is said to take up only 2% CPU. Umoove works exclusively with software and there is no hardware add-on necessary. It can be run on any smartphone or tablet computer that has a front-facing camera. Umoove claims that even a low-quality camera on an old device will run their software flawlessly. == Umoove Experience == In January 2014 Umoove released its first game onto the app store. The Umoove Experience game lets users control where they are 'flying' in the game through simple gestures and motions with their head. The avatar will basically go toward wherever the user looks. The game was created to showcase the technology for game developers but that did not stop some from criticizing its simplicity. Umoove also announced that they raised another one million dollars and that they are opening offices in Silicon Valley, California. In February 2014, Umoove announced that their face-tracking software development kit is available for Android developers as well as iOS. == Reviews == The Umoove Experience garnered mostly positive reviews from bloggers and mainstream media with some predicting that it could be the future of mobile gaming. Mashable wrote that Umoove's technology could be the emergence of gesture recognition technology in the mobile space, similar to Kinect with console gaming and what Leap Motion has done with desktop computers. Some, however, remain skeptical. CNET, for example, did not give the game a positive review and called the eye tracking technology 'freaky but cool'. They also noted that pioneering technologies have been known to fall short of expectations, citing Apple Inc’s Siri as an example. The technology blog GigaOM said that the Umoove Experience is ’awesome’ and technology evangelist Robert Scoble has called Umoove "brilliant". == uHealth == In January 2015, Umoove released uHealth, a mobile application that uses eye tracking game-like exercise to challenge the user's ability to be attentive, continuously focus, follow commands and avoid distractions. The app is designed in the form of two games, one to improve attention and another that hones focus. uHealth is a training tool, not a diagnostic. Umoove has stated that they want to use their technology for diagnosing neurological disorders but this will depend on clinical tests and FDA approval. The company cites the direct relationship between eye movements and brain activity as well as various vision-based therapies have been backed by many scientific studies conducted over the past decades. uHealth is the first time this type of therapy is delivered right to the end user through a simple download. == Collaboration rumors == In March 2013 there were rumors on the internet that Umoove would be the functioning software embedded into the Samsung Galaxy S4, which was due to launch that month. This rumor was perpetrated by, among others, New York Times, Techcrunch and Yahoo. Once Samsung launched without the Umoove technology rumors about a potential collaboration with Apple Inc hit the web. It has been said that due to the fact that Apple Inc is losing market share and stock value to Samsung they will be more aggressive and eye tracking is a logical place to make that move.
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Anna Becker

Anna Becker is an Israeli researcher known in the field of artificial intelligence and computer science within the financial field. == Early life and education == Becker was born in Russia and immigrated to Israel at 16 after graduating from a school in Moscow. At 17, she began her studies at Technion – Israel Institute of Technology. During her master's degree in computer science, she taught first-year students of the same course, and at 27, Becker completed her PhD in Computer Science and Artificial Intelligence. == Career == While pursuing her PhD, Becker resolved an NP-complete approximation algorithm that had been unresolved for over twenty years. This made her a recognized scholar in the field. After completing her PhD, she developed an approximation technique by a factor of two. This technique is widely used today in operating systems, database systems, and VLSI chip designs. She then founded and sold Strategy Runner, a fintech software. After this, she founded EndoTech, an algorithmic trading platform based on artificial intelligence and machine learning. EndoTech's trading strategies have been operating in live cryptocurrency markets since 2017. The platform's BTC Alpha strategy has reported an average annual return of 163% on fixed capital over eight years of live operation, with a maximum drawdown of 14% and a trade accuracy rate of approximately 83%. In 2026, EndoTech entered a partnership with Bit1 Exchange to make its BTC Alpha and ETH Alpha copy trading strategies accessible to retail investors with no minimum deposit requirement, through a full-custody model in which user funds remain in their own exchange wallets at all times.As of 2023, Becker is working on Fianchetto Fund, an AI-based investing analysis platform. Becker has also co-authored a book on Bayesian networks, which has been published widely in the field of computer science and artificial intelligence.
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Socially assistive robot

A socially assistive robot (SAR) aids users through social engagement and support rather than through physical tasks and interactions. == Background == The field of socially assistive robotics emerged in the early 2000s, following the emergence of the field of social robots. In contrast to social robots, SARs aid users with specific goals related to behavior change rather than serving as purely social entities. The term "Socially assistive robot" was initially defined by Maja Matarić and David Feil-Seifer in 2005. Since its inception, the field has gained substantial recognition, featuring numerous research projects, a wealth of global research publications, startup companies, and a growing array of products on the consumer market. The COVID-19 pandemic has underscored the immense potential of socially assistive robots, particularly in addressing the needs of large user populations, including children engaged in remote learning, elderly individuals grappling with loneliness, and those affected by social isolation and its associated negative consequences. == Characteristics of interaction == SARs rely on artificial intelligence (AI) to generate real-time, responsive, natural, and meaningful robot behaviors during interactions with humans. The robots employ various forms of communication, such as facial expressions, gestures, body movements, and speech. In contrast to robots intended for physical tasks, SARs are designed to support and motivate users to perform their own tasks. The tasks a user engages in can be physical (e.g., rehabilitation exercises for post-stroke users), cognitive (e.g., dementia screening for elderly users), or social (e.g., turn-taking for users with autism spectrum disorders). This complex interaction involves detecting and interpreting the user's movement, behavior, intent, goals, speech, and preferences. Machine learning and robot learning techniques are frequently employed to enhance the robot's understanding of the user, predict user preferences, and provide effective assistance. The effectiveness of socially assistive robots is assessed based on objective measurements of user performance and improvement resulting from the robot’s assistance and support. Unlike other branches of robotics, where effectiveness depends on the robot's physical task completion, SAR measures the success of the robot based on the user's progress and achievements. This evaluation is carried out using quantitative objective metrics, such as time spent on tasks, accuracy, retention, and verbalization, as well as quantitative subjective metrics, such as user survey tools. SAR is based on the large body of evidence showing that users tend to respond more positively to interactions with physical robots compared to interactions with screens. Interaction with physical robots also encourages users to learn and retain more information than screen-based interactions. This fundamental insight underlines why physical robots in SAR applications are more effective, as opposed to interactions solely involving screens, tablets, or computers. == Uses and applications == SARs have been developed and validated in a wide array of applications, including healthcare, elder care, education, and training. For example, SARs have been developed to support children on the autism spectrum in acquiring and practicing social and cognitive skills, to motivate and coach stroke patients throughout their rehabilitation exercises, monitoring individuals health (ex. fall detection), and to encourage elderly users to be more physically and socially active. There is a concern that technophobia and lack of trust in robots will pose a barrier to the effectiveness of SARs in older adults.
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80 Million Tiny Images

80 Million Tiny Images is a dataset intended for training machine-learning systems constructed by Antonio Torralba, Rob Fergus, and William T. Freeman in a collaboration between MIT and New York University. It was published in 2008. The dataset has size 760 GB. It contains 79,302,017 32×32-pixel color images, scaled down from images scraped from the World Wide Web over 8 months. The images are classified into 75,062 classes. Each class is a non-abstract noun in WordNet. Images may appear in more than one class. The dataset was motivated by non-parametric models of neural activations in the visual cortex upon seeing images. The CIFAR-10 dataset uses a subset of the images in this dataset, but with independently generated labels, as the original labels were not reliable. The CIFAR-10 set has 6000 examples of each of 10 classes, and the CIFAR-100 set has 600 examples of each of 100 non-overlapping classes. == Construction == It was first reported in a technical report in April 2007, during the middle of the construction process, when there were only 73 million images. The full dataset was published in 2008. They began with all 75,846 non-abstract nouns in WordNet, and then for each of these nouns, they scraped 7 image search engines: Altavista, Ask.com, Flickr, Cydral, Google, Picsearch, and Webshots. After 8 months of scraping, they obtained 97,245,098 images. Since they did not have enough storage, they downsized the images to 32×32 as they were scraped. After gathering, they removed images with zero variance and intra-word duplicate images, resulting in the final dataset. Out of the 75,846 nouns, only 75,062 classes had any results, so the other nouns did not appear in the final dataset. The number of images per noun follows a Zipf-like distribution, with 1056 images per noun on average. To prevent a few nouns taking up too many images, they put an upper bound of at most 3000 images per noun. == Retirement == The 80 Million Tiny Images dataset was retired from use by its creators in 2020, after a paper by researchers Abeba Birhane and Vinay Prabhu found that some of the labeling of several publicly available image datasets, including 80 Million Tiny Images, contained racist and misogynistic slurs which were causing models trained on them to exhibit racial and sexual bias. The dataset also contained offensive images. Following the release of the paper, the dataset's creators removed the dataset from distribution, and requested that other researchers not use it for further research and to delete their copies of the dataset.
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Clara.io

Clara.io is web-based freemium 3D computer graphics software developed by Exocortex, a Canadian software company. The free or "Basic" component of their freemium offering, however, places severe restrictions, such as on saving models and importing texture maps, which are undisclosed in the company's own descriptions of their plans.vf TMN == History == Clara.io was announced in July 2013, and first presented as part of the official SIGGRAPH 2013 program later that month. By November 2013, when the open beta period started, Clara.io had 14,000 registered users. Clara.io claimed to have 26,000 registered users in January 2014, which grew to 85,000 by December 2014. Clara.io was permanently shut down on December 31, 2022, but the site is currently still partially functional to logged-in users. == Features == Polygonal modeling Constructive solid geometry Key frame animation Skeletal animation Hierarchical scene graph Texture mapping Photorealistic rendering (streaming cloud rendering using V-Ray Cloud) Scene publishing via HTML iframe embedding FBX, Collada, OBJ, STL and Three.js import/export Collaborative real-time editing Revision control (versioning & history) Scripting, Plugins & REST APIs 3D model library Unlisted and Private scenes (paid subscriptions only). == Technology == Clara.io is developed using HTML5, JavaScript, WebGL and Three.js. Clara.io does not rely on any browser plugins and thus runs on any platform that has a modern standards compliant browser. == Screenshots ==
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Time series

In mathematics, a time series is a sequence of data points indexed, listed, or graphed in chronological order. Most commonly, a time series consists of observations recorded at successive equally spaced points in time. Thus, it represents a form of discrete-time data. A time series may describe measurements collected over seconds, days, years, or even centuries. Common examples include heights of ocean tides, counts of sunspots, daily temperature readings, and the closing values of stock market indices such as the Dow Jones Industrial Average. A time series is often visualized using a run chart (a type of temporal line chart), which helps identify patterns such as trends, seasonal effects, and irregular fluctuations. Time series are widely used in statistics, actuarial science, signal processing, pattern recognition, econometrics, mathematical finance, weather forecasting, earthquake prediction, electroencephalography, control engineering, astronomy, communications engineering, and many other areas of applied science and engineering that involve temporal measurements. Time series analysis comprises methods for analyzing time series data in order to extract meaningful statistics and other characteristics of the data. Time series forecasting is the use of a model to predict future values based on previously observed values. Generally, time series data is modeled as a stochastic process. While regression analysis is often employed in such a way as to test relationships between one or more different time series, this type of analysis is not usually called "time series analysis", which refers in particular to relationships between different points in time within a single series. Time series data have a natural temporal ordering. This makes time series analysis distinct from cross-sectional studies, in which there is no natural ordering of the observations (e.g. explaining people's wages by reference to their respective education levels, where the individuals' data could be entered in any order). Time series analysis is also distinct from spatial data analysis where the observations typically relate to geographical locations (e.g. accounting for house prices by the location as well as the intrinsic characteristics of the houses). A stochastic model for a time series will generally reflect the fact that observations close together in time will be more closely related than observations further apart. In addition, time series models will often make use of the natural one-way ordering of time so that values for a given period will be expressed as deriving in some way from past values, rather than from future values (see time reversibility). Time series analysis can be applied to real-valued, continuous data, discrete numeric data, or discrete symbolic data (i.e. sequences of characters, such as letters and words in the English language). == Methods for analysis == Methods for time series analysis may be divided into two classes: frequency-domain methods and time-domain methods. The former include spectral analysis and wavelet analysis; the latter include auto-correlation and cross-correlation analysis. In the time domain, correlation and analysis can be made in a filter-like manner using scaled correlation, thereby mitigating the need to operate in the frequency domain. Additionally, time series analysis techniques may be divided into parametric and non-parametric methods. The parametric approaches assume that the underlying stationary stochastic process has a certain structure which can be described using a small number of parameters (for example, using an autoregressive or moving-average model). In these approaches, the task is to estimate the parameters of the model that describes the stochastic process. By contrast, non-parametric approaches explicitly estimate the covariance or the spectrum of the process without assuming that the process has any particular structure. Methods of time series analysis may also be divided into linear and non-linear, and univariate and multivariate. == Panel data == A time series is one type of panel data. Panel data is the general class, a multidimensional data set, whereas a time series data set is a one-dimensional panel (as is a cross-sectional dataset). A data set may exhibit characteristics of both panel data and time series data. One way to tell is to ask what makes one data record unique from the other records. If the answer is the time data field, then this is a time series data set candidate. If determining a unique record requires a time data field and an additional identifier which is unrelated to time (e.g. student ID, stock symbol, country code), then it is panel data candidate. If the differentiation lies on the non-time identifier, then the data set is a cross-sectional data set candidate. == Analysis == There are several types of motivation and data analysis available for time series which are appropriate for different purposes. === Motivation === In the context of statistics, econometrics, quantitative finance, seismology, meteorology, and geophysics the primary goal of time series analysis is forecasting. In the context of signal processing, control engineering and communication engineering it is used for signal detection. Other applications are in data mining, pattern recognition and machine learning, where time series analysis can be used for clustering, classification, query by content, anomaly detection as well as forecasting. === Exploratory analysis === A simple way to examine a regular time series is manually with a line chart. The datagraphic shows tuberculosis deaths in the United States, along with the yearly change and the percentage change from year to year. The total number of deaths declined in every year until the mid-1980s, after which there were occasional increases, often proportionately - but not absolutely - quite large. A study of corporate data analysts found two challenges to exploratory time series analysis: discovering the shape of interesting patterns, and finding an explanation for these patterns. Visual tools that represent time series data as heat map matrices can help overcome these challenges. === Estimation, filtering, and smoothing === This approach may be based on harmonic analysis and filtering of signals in the frequency domain using the Fourier transform, and spectral density estimation. Its development was significantly accelerated during World War II by mathematician Norbert Wiener, electrical engineers Rudolf E. Kálmán, Dennis Gabor and others for filtering signals from noise and predicting signal values at a certain point in time. An equivalent effect may be achieved in the time domain, as in a Kalman filter; see filtering and smoothing for more techniques. Other related techniques include: Autocorrelation analysis to examine serial dependence Spectral analysis to examine cyclic behavior which need not be related to seasonality. For example, sunspot activity varies over 11 year cycles. Other common examples include celestial phenomena, weather patterns, neural activity, commodity prices, and economic activity. Separation into components representing trend, seasonality, slow and fast variation, and cyclical irregularity: see trend estimation and decomposition of time series === Curve fitting === Curve fitting is the process of constructing a curve, or mathematical function, that has the best fit to a series of data points, possibly subject to constraints. Curve fitting can involve either interpolation, where an exact fit to the data is required, or smoothing, in which a "smooth" function is constructed that approximately fits the data. A related topic is regression analysis, which focuses more on questions of statistical inference such as how much uncertainty is present in a curve that is fit to data observed with random errors. Fitted curves can be used as an aid for data visualization, to infer values of a function where no data are available, and to summarize the relationships among two or more variables. Extrapolation refers to the use of a fitted curve beyond the range of the observed data, and is subject to a degree of uncertainty since it may reflect the method used to construct the curve as much as it reflects the observed data. For processes that are expected to generally grow in magnitude one of the curves in the graphic (and many others) can be fitted by estimating their parameters. The construction of economic time series involves the estimation of some components for some dates by interpolation between values ("benchmarks") for earlier and later dates. Interpolation is estimation of an unknown quantity between two known quantities (historical data), or drawing conclusions about missing information from the available information ("reading between the lines"). Interpolation is useful where the data surrounding the missing data is available and its trend, seasonality, and longer-term cycles are known. This is often done by using a relat
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Astrostatistics

Astrostatistics is a discipline which spans astrophysics, statistical analysis and data mining. It is used to process the vast amount of data produced by automated scanning of the cosmos, to characterize complex datasets, and to link astronomical data to astrophysical theory. Many branches of statistics are involved in astronomical analysis including nonparametrics, multivariate regression and multivariate classification, time series analysis, and especially Bayesian inference. The field is closely related to astroinformatics.
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Pythia (machine learning)

Pythia is an ancient text restoration model that recovers missing characters from damaged text input using deep neural networks. It was created by Yannis Assael, Thea Sommerschield, and Jonathan Prag, researchers from Google DeepMind and the University of Oxford. To study the society and the history of ancient civilisations, ancient history relies on disciplines such as epigraphy, the study of ancient inscribed texts. Hundreds of thousands of these texts, known as inscriptions, have survived to our day, but are often damaged over the centuries. Illegible parts of the text must then be restored by specialists, called epigraphists, in order to extract meaningful information from the text and use it to expand our knowledge of the context in which the text was written. Pythia takes as input the damaged text, and is trained to return hypothesised restorations of ancient Greek inscriptions, working as an assistive aid for ancient historians. Its neural network architecture works at both the character- and word-level, thereby effectively handling long-term context information, and dealing efficiently with incomplete word representations. Pythia is applicable to any discipline dealing with ancient texts (philology, papyrology, codicology) and can work in any language (ancient or modern).
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Operation Serenata de Amor

Operation Serenata de Amor is an artificial intelligence project designed to analyze public spending in Brazil. The project has been funded by a recurrent financing campaign since September 7, 2016, and came in the wake of major scandals of misappropriation of public funds in Brazil, such as the Mensalão scandal and what was revealed in the Operation Car Wash investigations. The analysis began with data from the National Congress then expanded to other types of budget and instances of government, such as the Federal Senate. The project is built through collaboration on GitHub and using a public group with more than 600 participants on Telegram. The name "Serenata de Amor," which means "serenade of love," was taken from a popular cashew cream bonbon produced by Chocolates Garoto in Brazil. == Modules == Throughout development of the project, new modules have been newly introduced in addition to the main repository: The main repository, serenata-de-amor, serves as the starting point for investigative work. Rosie is the robot programmed to identify public funds expenses with discrepancies, starting with CEAP (Quota for Exercise of Parliamentary Activity); it analyzes each of the reimbursements requested by the deputies and senators, indicating the reasons that lead it to believe they are suspicious. From Rosie was born whistleblower, which tweets under the name of @RosieDaSerenata, distributing the results found on social media. Jarbas (Github repository) is a data visualization tool which shows a complete list of reimbursements made available by the Chamber of Deputies and mined by Rosie. Toolbox is a Python installable package that supports the development of Serenata de Amor and Rosie. == History == Operation Serenata de Amor is an Artificial intelligence project for analysis of public expenditures. It was conceived in March 2016 by data scientist Irio Musskopf, sociologist Eduardo Cuducos and entrepreneur Felipe Cabral. The project was financed collectively in the Catarse platform, where it reached 131% of the collection goal paying 3 months of project development. Ana Schwendler, also a data scientist, Pedro Vilanova "Tonny", data journalist, Bruno Pazzim, software engineer, Filipe Linhares, a frontend engineer, Leandro Devegili, an entrepreneur and André Pinho took the first steps towards constructing the platform, such as collecting and structuring the first datasets. Jessica Temporal, data scientist and Yasodara Córdova "Yaso", researcher, Tatiana Balachova "Russa", UX designer, joined the project after the financing took place. The members created a recurring financing campaign, expanding the analysis of public spending to the Federal Senate. Donors make monthly payments ranging from 5 BRL to 200 BRL to maintain group activities. The monthly amount collected is around 10,000 BRL. == Results == In January 2017, concluding the period financed by the initial campaign, the group carried out an investigation into the suspicious activities found by the data analysis system. 629 complaints were made to the Ombudsman's Office of the Chamber of Deputies, questioning expenses of 216 federal deputies. In addition, the Facebook project page has more than 25,000 followers, and users frequently cite the operation as a benchmark in transparency in the Brazilian government. One of the examples of results obtained by the operation is the case of the Deputy who had to return about 700 BRL to the House after his expenses were analyzed by the platform. The platform was able to analyze more than 3 million notes, raising about 8,000 suspected cases in public spending. The community that supports the work of the team benefits from open source repositories, with licenses open for the collaboration. So much so that the two main data scientists of the project presented it at the CivicTechFest in Taipei, obtaining several mentions even in the international press. The technical leader presented the project in Poland during DevConf2017 in Kraków. It was also presented in the Google News Lab in 2017. It was presented by Yaso, when she was the Director of the initiative, at the MIT Media Lab/Berkman Klein Center Initiative for Artificial Intelligence ethics, and at the Artificial Intelligence and Inclusion Symposium, an initiative of the Global Network of Internet & Society Centers (NoC). It was also presented both by Irio and Yaso at the Digital Harvard Kennedy School, over a lunch seminar, where the transparency of the platform and the main solutions found were discussed, so that the code and data are always available to verify its suitability. This infographic provides information about the first results of Operation Serenata de Amor, a project that analyzes open data on public spending to find discrepancies. The project was presented by Yaso to the House Audit and Control Committee of the Chamber of Deputies in August 2017, and raised the interest of House officials who work with open data. The operation has been a source of inspiration for other civic projects that aim to work with similar goals, demonstrating the broader impact of artificial intelligence also in industry in Brazil. Participation of several team members in events throughout Brazil and abroad can be found on the Internet, such as presentation at OpenDataDay, held at Calango Hackerspace in the Federal District, Campus Party Bahia, Campus Party Brasilia, Friends of Tomorrow, XIII National Meeting of Internal Control, in the event USP Talks Hackfest against corruption in João Pessoa, the latter being also highlighted in the National Press.
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Resisting AI

Resisting AI: An Anti-fascist Approach to Artificial Intelligence is a book on artificial intelligence (AI) by Dan McQuillan, published in 2022 by Bristol University Press. == Content == Resisting AI takes the form of an extended essay, which contrasts optimistic visions about AI's potential by arguing that AI may best be seen as a continuation and reinforcement of bureaucratic forms of discrimination and violence, ultimately fostering authoritarian outcomes. For McQuillan, AI's promise of objective calculability is antithetical to an egalitarian and just society. McQuillan uses the expression "AI violence" to describe how – based on opaque algorithms – various actors can discriminate against categories of people in accessing jobs, loans, medical care, and other benefits. The book suggests that AI has a political resonance with soft eugenic approaches to the valuation of life by modern welfare states, and that AI exhibits eugenic features in its underlying logic, as well as in its technical operations. The parallel is with historical eugenicists achieving saving to the state by sterilizing defectives so the state would not have to care for their offspring. The analysis of McQuillan goes beyond the known critique of AI systems fostering precarious labour markets, addressing "necropolitics", the politics of who is entitled to live, and who to die. Although McQuillan offers a brief history of machine learning at the beginning of the book – with its need for "hidden and undercompensated labour", he is concerned more with the social impacts of AI rather than with its technical aspects. McQuillan sees AI as the continuation of existing bureaucratic systems that already marginalize vulnerable groups – aggravated by the fact that AI systems trained on existing data are likely to reinforce existing discriminations, e.g. in attempting to optimize welfare distribution based on existing data patterns, ultimately creating a system of "self-reinforcing social profiling". In elaborating on the continuation between existing bureaucratic violence and AI, McQuillan connects to Hannah Arendt's concept of the thoughtless bureaucrat in Eichmann in Jerusalem: A Report on the Banality of Evil, which now becomes the algorithm that, lacking intent, cannot be accountable, and is thus endowed with an "algorithmic thoughtlessness". McQuillan defends the "fascist" in the title of the work by arguing that while not all AI is fascist, this emerging technology of control may end up being deployed by fascist or authoritarian regimes. For McQuillan, AI can support the diffusion of states of exception, as a technology impossible to properly regulate and a mechanism for multiplying exceptions more widely. An example of a scenario where AI systems of surveillance could bring discrimination to a new high is the initiative to create LGBT-free zones in Poland. Skeptical of ethical regulations to control the technology, McQuillan suggests people's councils and workers' councils, and other forms of citizens' agency to resist AI. A chapter titled "Post-Machine Learning" makes an appeal for resistance via currents of thought from feminist science (standpoint theory), post-normal science (extended peer communities), and new materialism; McQuillan encourages the reader to question the meaning of "objectivity" and calls for the necessity of alternative ways of knowing. Among the virtuous examples of resistance – possibly to be adopted by the AI workers themselves – McQuillan notes the Lucas Plan of the workers of Lucas Aerospace Corporation, in which a workforce declared redundant took control, reorienting the enterprise toward useful products. McQuillan advocates for what he calls decomputing, an opposition to the sweeping application and expansion of artificial intelligence. Similar to degrowth, the approach criticizes AI as an outgrowth of the systemic issues within capitalist systems. McQuillan argues that a different future is possible, in which distance between people is reduced rather than increased through AI intermediaries. The work of McQuillan warns against "watered-down forms of engagement" with AI, such as citizen juries, which superficially look like democratic deliberation but may actually obscure important decisions about AI that are outside the purview of the engagement situation (McQuillan 2022, 128). In an interview about the book, McQuillan describes himself as an "AI abolitionist". == Reception == The book has been praised for how it "masterfully disassembles AI as an epistemological, social, and political paradigm". On the critical side, a review in the academic journal Justice, Power and Resistance took exception to the "nightmarish visions of Big Brother" offered by McQuillan, and argued that while many elements of AI may pose concern, a critique should not be based on a caricature of what AI is, concluding that McQuillan's work is "less of a theory and more of a Manifesto". Another review notes "a disconnect between the technical aspects of AI and the socio-political analysis McQuillan provides." Although the book was published before the ChatGPT and large language model debate heated up, the book has not lost relevance to the AI discussion. It is noted for suggesting a link between beliefs in artificial intelligence and beliefs in a racialised and gendered visions of intelligence overall, whereby a certain type of rational, measurable intelligence is privileged, leading to "historical notions of hierarchies of being". The blog Reboot praised McQuillan for offering a theory of harm of AI (why AI could end up hurting people and society) that does not just encourage tackling in isolation specific predicted problems with AI-centric systems: bias, non-inclusiveness, exploitativeness, environmental destructiveness, opacity, and non-contestability. For educational policies could also look at AI following the reading of McQuillan: In his book Resisting AI, Dan McQuillan argues that "When we're thinking about the actuality of AI, we can't separate the calculations in the code from the social context of its application" .... McQuillan's particular concern is how many contemporary applications of AI are amplifying existing inequalities and injustices as well as deepening social divisions and instabilities. His book makes a powerful case for anticipating these effects and actively resisting them for the good of societies. Videos and podcasts with an interest in AI and emerging technology have discussed the book.
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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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