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  Data remanence

  Data remanence is the residual representation of digital data that remains even after attempts have been made to remove or erase the data. This residue may result from data being left intact by a nominal file deletion operation, by reformatting of storage media that does not remove data previously written to the media, or through physical properties of the storage media that allow previously written data to be recovered. Data remanence may make inadvertent disclosure of sensitive information possible should the storage media be released into an uncontrolled environment (e.g., thrown in refuse containers or lost). Various techniques have been developed to counter data remanence. These techniques are classified as clearing, purging/sanitizing, or destruction. Specific methods include overwriting, degaussing, encryption, and media destruction. Effective application of countermeasures can be complicated by several factors, including media that are inaccessible, media that cannot effectively be erased, advanced storage systems that maintain histories of data throughout the data's life cycle, and persistence of data in memory that is typically considered volatile. Several standards exist for the secure removal of data and the elimination of data remanence. == Causes == Many operating systems, file managers, and other software provide a facility where a file is not immediately deleted when the user requests that action. Instead, the file is moved to a holding area (i.e. the "trash"), making it easy for the user to undo a mistake. Similarly, many software products automatically create backup copies of files that are being edited, to allow the user to restore the original version, or to recover from a possible crash (autosave feature). Even when an explicit deleted file retention facility is not provided or when the user does not use it, operating systems do not actually remove the contents of a file when it is deleted unless they are aware that explicit erasure commands are required, like on a solid-state drive. (In such cases, the operating system will issue the Serial ATA TRIM command or the SCSI UNMAP command to let the drive know to no longer maintain the deleted data.) Instead, they simply remove the file's entry from the file system directory because this requires less work and is therefore faster, and the contents of the file—the actual data—remain on the storage medium. The data will remain there until the operating system reuses the space for new data. In some systems, enough filesystem metadata are also left behind to enable easy undeletion by commonly available utility software. Even when undelete has become impossible, the data, until it has been overwritten, can be read by software that reads disk sectors directly. Computer forensics often employs such software. Likewise, reformatting, repartitioning, or reimaging a system is unlikely to write to every area of the disk, though all will cause the disk to appear empty or, in the case of reimaging, empty except for the files present in the image, to most software. Finally, even when the storage media is overwritten, physical properties of the media may permit recovery of the previous contents. In most cases however, this recovery is not possible by just reading from the storage device in the usual way, but requires using laboratory techniques such as disassembling the device and directly accessing/reading from its components. § Complications below gives further explanations for causes of data remanence. == Countermeasures == There are three levels commonly recognized for eliminating remnant data: === Clearing === Clearing is the removal of sensitive data from storage devices in such a way that there is assurance that the data may not be reconstructed using normal system functions or software file/data recovery utilities. The data may still be recoverable, but not without special laboratory techniques. Clearing is typically an administrative protection against accidental disclosure within an organization. For example, before a hard drive is re-used within an organization, its contents may be cleared to prevent their accidental disclosure to the next user. === Purging === Purging or sanitizing is the physical rewrite of sensitive data from a system or storage device done with the specific intent of rendering the data unrecoverable at a later time. Purging, proportional to the sensitivity of the data, is generally done before releasing media beyond control, such as before discarding old media, or moving media to a computer with different security requirements. === Destruction === The storage media is made unusable for conventional equipment. Effectiveness of destroying the media varies by medium and method. Depending on recording density of the media, and/or the destruction technique, this may leave data recoverable by laboratory methods. Conversely, destruction using appropriate techniques is the most secure method of preventing retrieval. == Specific methods == === Overwriting === A common method used to counter data remanence is to overwrite the storage media with new data. This is often called wiping or shredding a disk or file, by analogy to common methods of destroying print media, although the mechanism bears no similarity to these. Because such a method can often be implemented in software alone, and may be able to selectively target only part of the media, it is a popular, low-cost option for some applications. Overwriting is generally an acceptable method of clearing, as long as the media is writable and not damaged. The simplest overwrite technique writes the same data everywhere—often just a pattern of all zeros. At a minimum, this will prevent the data from being retrieved simply by reading from the media again using standard system functions. The UEFI in modern machines may offer an ATA class disk erase function as well. The ATA-6 standard governs secure erases specifications. Bitlocker is whole disk encryption and illegible without the key. Writing a fresh GPT allows a new file system to be established. Blocks will set empty but LBA read is illegible. New data will be unaffected and work fine. In an attempt to counter more advanced data recovery techniques, specific overwrite patterns and multiple passes have often been prescribed. These may be generic patterns intended to eradicate any trace signatures; an example is the seven-pass pattern 0xF6, 0x00, 0xFF, , 0x00, 0xFF, , sometimes erroneously attributed to US standard DOD 5220.22-M. One challenge with overwriting is that some areas of the disk may be inaccessible, due to media degradation or other errors. Software overwrite may also be problematic in high-security environments, which require stronger controls on data commingling than can be provided by the software in use. The use of advanced storage technologies may also make file-based overwrite ineffective (see the related discussion below under § Complications). There are specialized machines and software that are capable of doing overwriting. The software can sometimes be a standalone operating system specifically designed for data destruction. There are also machines specifically designed to wipe hard drives to the department of defense specifications DOD 5220.22-M. Writing zero to each block on hard disks and SSDs has the advantage of affording the firmware to deploy spare blocks when bad blocks are identified. Bitlocker has the advantage that data is illegible without the key. Seatools and other tools can erase disks with zero which is typical to revive old consumer class disks but they can wipe server disks albeit slowly. Modern 28TB and larger disks have an enormous number of LBA48 blocks. 40TB and 60TB disks will take proportionately longer times to wipe. ==== Feasibility of recovering overwritten data ==== Peter Gutmann investigated data recovery from nominally overwritten media in the mid-1990s. He suggested magnetic force microscopy may be able to recover such data, and developed specific patterns, for specific drive technologies, designed to counter such. These patterns have come to be known as the Gutmann method. Gutmann's belief in the possibility of data recovery is based on many questionable assumptions and factual errors that indicate a low level of understanding of how hard drives work. Daniel Feenberg, an economist at the private National Bureau of Economic Research, claims that the chances of overwritten data being recovered from a modern hard drive amount to "urban legend". He also points to the "18+1⁄2-minute gap" Rose Mary Woods created on a tape of Richard Nixon discussing the Watergate break-in. Erased information in the gap has not been recovered, and Feenberg claims doing so would be an easy task compared to recovery of a modern high density digital signal. As of November 2007, the United States Department of Defense considers overwriting acceptable for clearing magnetic media within the same security area/

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  Learning to rank

  Learning to rank (LTR) or machine-learned ranking (MLR) is the application of machine learning, often supervised, semi-supervised or reinforcement learning, in the construction of ranking models for information retrieval and recommender systems. Training data may, for example, consist of lists of items with some partial order specified between items in each list. This order is typically induced by giving a numerical or ordinal score or a binary judgment (e.g. "relevant" or "not relevant") for each item. The goal of constructing the ranking model is to rank new, unseen lists in a similar way to rankings in the training data. == Applications == === In information retrieval === Ranking is a central part of many information retrieval problems, such as document retrieval, collaborative filtering, sentiment analysis, and online advertising. A possible architecture of a machine-learned search engine is shown in the accompanying figure. Training data consists of queries and documents matching them together with the relevance degree of each match. It may be prepared manually by human assessors (or raters, as Google calls them), who check results for some queries and determine relevance of each result. It is not feasible to check the relevance of all documents, and so typically a technique called pooling is used — only the top few documents, retrieved by some existing ranking models are checked. This technique may introduce selection bias. Alternatively, training data may be derived automatically by analyzing clickthrough logs (i.e. search results which got clicks from users), query chains, or such search engines' features as Google's (since-replaced) SearchWiki. Clickthrough logs can be biased by the tendency of users to click on the top search results on the assumption that they are already well-ranked. Training data is used by a learning algorithm to produce a ranking model which computes the relevance of documents for actual queries. Typically, users expect a search query to complete in a short time (such as a few hundred milliseconds for web search), which makes it impossible to evaluate a complex ranking model on each document in the corpus, and so a two-phase scheme is used. First, a small number of potentially relevant documents are identified using simpler retrieval models which permit fast query evaluation, such as the vector space model, Boolean model, weighted AND, or BM25. This phase is called top- k {\displaystyle k} document retrieval and many heuristics were proposed in the literature to accelerate it, such as using a document's static quality score and tiered indexes. In the second phase, a more accurate but computationally expensive machine-learned model is used to re-rank these documents. === In other areas === Learning to rank algorithms have been applied in areas other than information retrieval: In machine translation for ranking a set of hypothesized translations; In computational biology for ranking candidate 3-D structures in protein structure prediction problems; In recommender systems for identifying a ranked list of related news articles to recommend to a user after he or she has read a current news article. == Feature vectors == For the convenience of MLR algorithms, query-document pairs are usually represented by numerical vectors, which are called feature vectors. Such an approach is sometimes called bag of features and is analogous to the bag of words model and vector space model used in information retrieval for representation of documents. Components of such vectors are called features, factors or ranking signals. They may be divided into three groups (features from document retrieval are shown as examples): Query-independent or static features — those features, which depend only on the document, but not on the query. For example, PageRank or document's length. Such features can be precomputed in off-line mode during indexing. They may be used to compute document's static quality score (or static rank), which is often used to speed up search query evaluation. Query-dependent or dynamic features — those features, which depend both on the contents of the document and the query, such as TF-IDF score or other non-machine-learned ranking functions. Query-level features or query features, which depend only on the query. For example, the number of words in a query. Some examples of features, which were used in the well-known LETOR dataset: TF, TF-IDF, BM25, and language modeling scores of document's zones (title, body, anchors text, URL) for a given query; Lengths and IDF sums of document's zones; Document's PageRank, HITS ranks and their variants. Selecting and designing good features is an important area in machine learning, which is called feature engineering. == Evaluation measures == There are several measures (metrics) which are commonly used to judge how well an algorithm is doing on training data and to compare the performance of different MLR algorithms. Often a learning-to-rank problem is reformulated as an optimization problem with respect to one of these metrics. Examples of ranking quality measures: Mean average precision (MAP); DCG and NDCG; Precision@n, NDCG@n, where "@n" denotes that the metrics are evaluated only on top n documents; Mean reciprocal rank; Kendall's tau; Spearman's rho. DCG and its normalized variant NDCG are usually preferred in academic research when multiple levels of relevance are used. Other metrics such as MAP, MRR and precision, are defined only for binary judgments. Recently, there have been proposed several new evaluation metrics which claim to model user's satisfaction with search results better than the DCG metric: Expected reciprocal rank (ERR); Yandex's pfound. Both of these metrics are based on the assumption that the user is more likely to stop looking at search results after examining a more relevant document, than after a less relevant document. == Approaches == Learning to Rank approaches are often categorized using one of three approaches: pointwise (where individual documents are ranked), pairwise (where pairs of documents are ranked into a relative order), and listwise (where an entire list of documents are ordered). Tie-Yan Liu of Microsoft Research Asia has analyzed existing algorithms for learning to rank problems in his book Learning to Rank for Information Retrieval. He categorized them into three groups by their input spaces, output spaces, hypothesis spaces (the core function of the model) and loss functions: the pointwise, pairwise, and listwise approach. In practice, listwise approaches often outperform pairwise approaches and pointwise approaches. This statement was further supported by a large scale experiment on the performance of different learning-to-rank methods on a large collection of benchmark data sets. In this section, without further notice, x {\displaystyle x} denotes an object to be evaluated, for example, a document or an image, f ( x ) {\displaystyle f(x)} denotes a single-value hypothesis, h ( ⋅ ) {\displaystyle h(\cdot )} denotes a bi-variate or multi-variate function and L ( ⋅ ) {\displaystyle L(\cdot )} denotes the loss function. === Pointwise approach === In this case, it is assumed that each query-document pair in the training data has a numerical or ordinal score. Then the learning-to-rank problem can be approximated by a regression problem — given a single query-document pair, predict its score. Formally speaking, the pointwise approach aims at learning a function f ( x ) {\displaystyle f(x)} predicting the real-value or ordinal score of a document x {\displaystyle x} using the loss function L ( f ; x j , y j ) {\displaystyle L(f;x_{j},y_{j})} . A number of existing supervised machine learning algorithms can be readily used for this purpose. Ordinal regression and classification algorithms can also be used in pointwise approach when they are used to predict the score of a single query-document pair, and it takes a small, finite number of values. === Pairwise approach === In this case, the learning-to-rank problem is approximated by a classification problem — learning a binary classifier h ( x u , x v ) {\displaystyle h(x_{u},x_{v})} that can tell which document is better in a given pair of documents. The classifier shall take two documents as its input and the goal is to minimize a loss function L ( h ; x u , x v , y u , v ) {\displaystyle L(h;x_{u},x_{v},y_{u,v})} . The loss function typically reflects the number and magnitude of inversions in the induced ranking. In many cases, the binary classifier h ( x u , x v ) {\displaystyle h(x_{u},x_{v})} is implemented with a scoring function f ( x ) {\displaystyle f(x)} . As an example, RankNet adapts a probability model and defines h ( x u , x v ) {\displaystyle h(x_{u},x_{v})} as the estimated probability of the document x u {\displaystyle x_{u}} has higher quality than x v {\displaystyle x_{v}} : P u , v ( f ) = CDF ( f ( x u ) − f ( x v ) ) , {\displaystyle P_{u,v}(f)={\text{CDF}

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  Winner-take-all in action selection

  Winner-take-all is a computer science concept that has been widely applied in behavior-based robotics as a method of action selection for intelligent agents. Winner-take-all systems work by connecting modules (task-designated areas) in such a way that when one action is performed it stops all other actions from being performed, so only one action is occurring at a time. The name comes from the idea that the "winner" action takes all of the motor system's power. == History == In the 1980s and 1990s, many roboticists and cognitive scientists were attempting to find speedier and more efficient alternatives to the traditional world modeling method of action selection. In 1982, Jerome A. Feldman and D.H. Ballard published the "Connectionist Models and Their Properties", referencing and explaining winner-take-all as a method of action selection. Feldman's architecture functioned on the simple rule that in a network of interconnected action modules, each module will set its own output to zero if it reads a higher input than its own in any other module. In 1986, Rodney Brooks introduced behavior-based artificial intelligence. Winner-take-all architectures for action selection soon became a common feature of behavior-based robots, because selection occurred at the level of the action modules (bottom-up) rather than at a separate cognitive level (top-down), producing a tight coupling of stimulus and reaction. == Types of winner-take-all architectures == === Hierarchy === In the hierarchical architecture, actions or behaviors are programmed in a high-to-low priority list, with inhibitory connections between all the action modules. The agent performs low-priority behaviors until a higher-priority behavior is stimulated, at which point the higher behavior inhibits all other behaviors and takes over the motor system completely. Prioritized behaviors are usually key to the immediate survival of the agent, while behaviors of lower priority are less time-sensitive. For example, "run away from predator" would be ranked above "sleep." While this architecture allows for clear programming of goals, many roboticists have moved away from the hierarchy because of its inflexibility. === Heterarchy and fully distributed === In the heterarchy and fully distributed architecture, each behavior has a set of pre-conditions to be met before it can be performed, and a set of post-conditions that will be true after the action has been performed. These pre- and post-conditions determine the order in which behaviors must be performed and are used to causally connect action modules. This enables each module to receive input from other modules as well as from the sensors, so modules can recruit each other. For example, if the agent's goal were to reduce thirst, the behavior "drink" would require the pre-condition of having water available, so the module would activate the module in charge of "find water". The activations organize the behaviors into a sequence, even though only one action is performed at a time. The distribution of larger behaviors across modules makes this system flexible and robust to noise. Some critics of this model hold that any existing set of division rules for the predecessor and conflictor connections between modules produce sub-par action selection. In addition, the feedback loop used in the model can in some circumstances lead to improper action selection. === Arbiter and centrally coordinated === In the arbiter and centrally coordinated architecture, the action modules are not connected to each other but to a central arbiter. When behaviors are triggered, they begin "voting" by sending signals to the arbiter, and the behavior with the highest number of votes is selected. In these systems, bias is created through the "voting weight", or how often a module is allowed to vote. Some arbiter systems take a different spin on this type of winner-take-all by using a "compromise" feature in the arbiter. Each module is able to vote for or against each smaller action in a set of actions, and the arbiter selects the action with the most votes, meaning that it benefits the most behavior modules. This can be seen as violating the general rule against creating representations of the world in behavior-based AI, established by Brooks. By performing command fusion, the system is creating a larger composite pool of knowledge than is obtained from the sensors alone, forming a composite inner representation of the environment. Defenders of these systems argue that forbidding world-modeling puts unnecessary constraints on behavior-based robotics, and that agents benefits from forming representations and can still remain reactive.

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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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  Apache Parquet

  Apache Parquet is a free and open-source column-oriented data storage format in the Apache Hadoop ecosystem inspired by Google Dremel interactive ad-hoc query system for analysis of read-only nested data. It is similar to RCFile and ORC, the other columnar-storage file formats in Hadoop, and is compatible with most of the data processing frameworks around Hadoop. It provides data compression and encoding schemes with enhanced performance to handle complex data in bulk. == History == The open-source project to build Apache Parquet began as a joint effort between Twitter and Cloudera using the record shredding and assembly algorithm as described in Google's Dremel. Parquet was designed as an improvement on the Trevni columnar storage format created by Doug Cutting, the creator of Hadoop. The name 'parquet' (lit. 'small compartment') refers to a style of decorative flooring and was chosen to "evoke the bottom layer of a database with an interesting layout". The first version, Apache Parquet 1.0, was released in July 2013. Since April 27, 2015, Apache Parquet has been a top-level Apache Software Foundation (ASF)-sponsored project. == Features == Apache Parquet is implemented using the record-shredding and assembly algorithm, which accommodates the complex data structures that can be used to store data. The values in each column are stored in contiguous memory locations, providing the following benefits: Column-wise compression is efficient in storage space Encoding and compression techniques specific to the type of data in each column can be used Queries that fetch specific column values need not read the entire row, thus improving performance Apache Parquet is implemented using the Apache Thrift framework, which increases its flexibility; it can work with a number of programming languages like C++, Java, Python, PHP, etc. As of August 2015, Parquet supports the big-data-processing frameworks including Apache Hive, Apache Drill, Apache Impala, Apache Crunch, Apache Pig, Cascading, Presto and Apache Spark. It is one of the external data formats used by the pandas Python data manipulation and analysis library. == Compression and encoding == In Parquet, compression is performed column by column, which enables different encoding schemes to be used for text and integer data. This strategy also keeps the door open for newer and better encoding schemes to be implemented as they are invented. Parquet supports various compression formats: snappy, gzip, LZO, brotli, zstd, and LZ4. === Dictionary encoding === Parquet has an automatic dictionary encoding enabled dynamically for data with a small number of unique values (i.e. below 105) that enables significant compression and boosts processing speed. === Bit packing === Storage of integers is usually done with dedicated 32 or 64 bits per integer. For small integers, packing multiple integers into the same space makes storage more efficient. === Run-length encoding (RLE) === To optimize storage of multiple occurrences of the same value, run-length encoding is used, which is where a single value is stored once along with the number of occurrences. Parquet implements a hybrid of bit packing and RLE, in which the encoding switches based on which produces the best compression results. This strategy works well for certain types of integer data and combines well with dictionary encoding. == Cloud Storage and Data Lakes == Parquet is widely used as the underlying file format in modern cloud-based data lake architectures. Cloud storage systems such as Amazon S3, Azure Data Lake Storage, and Google Cloud Storage commonly store data in Parquet format due to its efficient columnar representation and retrieval capabilities. Data lakehouse frameworks—including Apache Iceberg, Delta Lake, and Apache Hudi —build an additional metadata layer on top of Parquet files to support features such as schema evolution, time-travel queries, and ACID-compliant transactions. In these architectures, Parquet files serve as the immutable storage layer while the table formats manage data versioning and transactional integrity. == Comparison == Apache Parquet is comparable to RCFile and Optimized Row Columnar (ORC) file formats — all three fall under the category of columnar data storage within the Hadoop ecosystem. They all have better compression and encoding with improved read performance at the cost of slower writes. In addition to these features, Apache Parquet supports limited schema evolution, i.e., the schema can be modified according to the changes in the data. It also provides the ability to add new columns and merge schemas that do not conflict. Apache Arrow is designed as an in-memory complement to on-disk columnar formats like Parquet and ORC. The Arrow and Parquet projects include libraries that allow for reading and writing between the two formats. == Implementations == Known implementations of Parquet include:

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  Reparameterization trick

  The reparameterization trick (aka "reparameterization gradient estimator") is a technique used in statistical machine learning, particularly in variational inference, variational autoencoders, and stochastic optimization. It allows for the efficient computation of gradients through random variables, enabling the optimization of parametric probability models using stochastic gradient descent, and the variance reduction of estimators. It was developed in the 1980s in operations research, under the name of "pathwise gradients", or "stochastic gradients". Its use in variational inference was proposed in 2013. == Mathematics == Let z {\displaystyle z} be a random variable with distribution q ϕ ( z ) {\displaystyle q_{\phi }(z)} , where ϕ {\displaystyle \phi } is a vector containing the parameters of the distribution. === REINFORCE estimator === Consider an objective function of the form: L ( ϕ ) = E z ∼ q ϕ ( z ) [ f ( z ) ] {\displaystyle L(\phi )=\mathbb {E} _{z\sim q_{\phi }(z)}[f(z)]} Without the reparameterization trick, estimating the gradient ∇ ϕ L ( ϕ ) {\displaystyle \nabla _{\phi }L(\phi )} can be challenging, because the parameter appears in the random variable itself. In more detail, we have to statistically estimate: ∇ ϕ L ( ϕ ) = ∇ ϕ ∫ d z q ϕ ( z ) f ( z ) {\displaystyle \nabla _{\phi }L(\phi )=\nabla _{\phi }\int dz\;q_{\phi }(z)f(z)} The REINFORCE estimator, widely used in reinforcement learning and especially policy gradient, uses the following equality: ∇ ϕ L ( ϕ ) = ∫ d z q ϕ ( z ) ∇ ϕ ( ln ⁡ q ϕ ( z ) ) f ( z ) = E z ∼ q ϕ ( z ) [ ∇ ϕ ( ln ⁡ q ϕ ( z ) ) f ( z ) ] {\displaystyle \nabla _{\phi }L(\phi )=\int dz\;q_{\phi }(z)\nabla _{\phi }(\ln q_{\phi }(z))f(z)=\mathbb {E} _{z\sim q_{\phi }(z)}[\nabla _{\phi }(\ln q_{\phi }(z))f(z)]} This allows the gradient to be estimated: ∇ ϕ L ( ϕ ) ≈ 1 N ∑ i = 1 N ∇ ϕ ( ln ⁡ q ϕ ( z i ) ) f ( z i ) {\displaystyle \nabla _{\phi }L(\phi )\approx {\frac {1}{N}}\sum _{i=1}^{N}\nabla _{\phi }(\ln q_{\phi }(z_{i}))f(z_{i})} The REINFORCE estimator has high variance, and many methods were developed to reduce its variance. === Reparameterization estimator === The reparameterization trick expresses z {\displaystyle z} as: z = g ϕ ( ϵ ) , ϵ ∼ p ( ϵ ) {\displaystyle z=g_{\phi }(\epsilon ),\quad \epsilon \sim p(\epsilon )} Here, g ϕ {\displaystyle g_{\phi }} is a deterministic function parameterized by ϕ {\displaystyle \phi } , and ϵ {\displaystyle \epsilon } is a noise variable drawn from a fixed distribution p ( ϵ ) {\displaystyle p(\epsilon )} . This gives: L ( ϕ ) = E ϵ ∼ p ( ϵ ) [ f ( g ϕ ( ϵ ) ) ] {\displaystyle L(\phi )=\mathbb {E} _{\epsilon \sim p(\epsilon )}[f(g_{\phi }(\epsilon ))]} Now, the gradient can be estimated as: ∇ ϕ L ( ϕ ) = E ϵ ∼ p ( ϵ ) [ ∇ ϕ f ( g ϕ ( ϵ ) ) ] ≈ 1 N ∑ i = 1 N ∇ ϕ f ( g ϕ ( ϵ i ) ) {\displaystyle \nabla _{\phi }L(\phi )=\mathbb {E} _{\epsilon \sim p(\epsilon )}[\nabla _{\phi }f(g_{\phi }(\epsilon ))]\approx {\frac {1}{N}}\sum _{i=1}^{N}\nabla _{\phi }f(g_{\phi }(\epsilon _{i}))} == Examples == For some common distributions, the reparameterization trick takes specific forms: Normal distribution: For z ∼ N ( μ , σ 2 ) {\displaystyle z\sim {\mathcal {N}}(\mu ,\sigma ^{2})} , we can use: z = μ + σ ϵ , ϵ ∼ N ( 0 , 1 ) {\displaystyle z=\mu +\sigma \epsilon ,\quad \epsilon \sim {\mathcal {N}}(0,1)} Exponential distribution: For z ∼ Exp ( λ ) {\displaystyle z\sim {\text{Exp}}(\lambda )} , we can use: z = − 1 λ log ⁡ ( ϵ ) , ϵ ∼ Uniform ( 0 , 1 ) {\displaystyle z=-{\frac {1}{\lambda }}\log(\epsilon ),\quad \epsilon \sim {\text{Uniform}}(0,1)} Discrete distribution can be reparameterized by the Gumbel distribution (Gumbel-softmax trick or "concrete distribution") and diffusion models. In general, any distribution that is differentiable with respect to its parameters can be reparameterized by inverting the multivariable CDF function, then apply the implicit method. See for an exposition and application to the Gamma, Beta, Dirichlet, and von Mises distributions. == Applications == === Variational autoencoder === In Variational Autoencoders (VAEs), the VAE objective function, known as the Evidence Lower Bound (ELBO), is given by: ELBO ( ϕ , θ ) = E z ∼ q ϕ ( z | x ) [ log ⁡ p θ ( x | z ) ] − D KL ( q ϕ ( z | x ) | | p ( z ) ) {\displaystyle {\text{ELBO}}(\phi ,\theta )=\mathbb {E} _{z\sim q_{\phi }(z|x)}[\log p_{\theta }(x|z)]-D_{\text{KL}}(q_{\phi }(z|x)||p(z))} where q ϕ ( z | x ) {\displaystyle q_{\phi }(z|x)} is the encoder (recognition model), p θ ( x | z ) {\displaystyle p_{\theta }(x|z)} is the decoder (generative model), and p ( z ) {\displaystyle p(z)} is the prior distribution over latent variables. The gradient of ELBO with respect to θ {\displaystyle \theta } is simply E z ∼ q ϕ ( z | x ) [ ∇ θ log ⁡ p θ ( x | z ) ] ≈ 1 L ∑ l = 1 L ∇ θ log ⁡ p θ ( x | z l ) {\displaystyle \mathbb {E} _{z\sim q_{\phi }(z|x)}[\nabla _{\theta }\log p_{\theta }(x|z)]\approx {\frac {1}{L}}\sum _{l=1}^{L}\nabla _{\theta }\log p_{\theta }(x|z_{l})} but the gradient with respect to ϕ {\displaystyle \phi } requires the trick. Express the sampling operation z ∼ q ϕ ( z | x ) {\displaystyle z\sim q_{\phi }(z|x)} as: z = μ ϕ ( x ) + σ ϕ ( x ) ⊙ ϵ , ϵ ∼ N ( 0 , I ) {\displaystyle z=\mu _{\phi }(x)+\sigma _{\phi }(x)\odot \epsilon ,\quad \epsilon \sim {\mathcal {N}}(0,I)} where μ ϕ ( x ) {\displaystyle \mu _{\phi }(x)} and σ ϕ ( x ) {\displaystyle \sigma _{\phi }(x)} are the outputs of the encoder network, and ⊙ {\displaystyle \odot } denotes element-wise multiplication. Then we have ∇ ϕ ELBO ( ϕ , θ ) = E ϵ ∼ N ( 0 , I ) [ ∇ ϕ log ⁡ p θ ( x | z ) + ∇ ϕ log ⁡ q ϕ ( z | x ) − ∇ ϕ log ⁡ p ( z ) ] {\displaystyle \nabla _{\phi }{\text{ELBO}}(\phi ,\theta )=\mathbb {E} _{\epsilon \sim {\mathcal {N}}(0,I)}[\nabla _{\phi }\log p_{\theta }(x|z)+\nabla _{\phi }\log q_{\phi }(z|x)-\nabla _{\phi }\log p(z)]} where z = μ ϕ ( x ) + σ ϕ ( x ) ⊙ ϵ {\displaystyle z=\mu _{\phi }(x)+\sigma _{\phi }(x)\odot \epsilon } . This allows us to estimate the gradient using Monte Carlo sampling: ∇ ϕ ELBO ( ϕ , θ ) ≈ 1 L ∑ l = 1 L [ ∇ ϕ log ⁡ p θ ( x | z l ) + ∇ ϕ log ⁡ q ϕ ( z l | x ) − ∇ ϕ log ⁡ p ( z l ) ] {\displaystyle \nabla _{\phi }{\text{ELBO}}(\phi ,\theta )\approx {\frac {1}{L}}\sum _{l=1}^{L}[\nabla _{\phi }\log p_{\theta }(x|z_{l})+\nabla _{\phi }\log q_{\phi }(z_{l}|x)-\nabla _{\phi }\log p(z_{l})]} where z l = μ ϕ ( x ) + σ ϕ ( x ) ⊙ ϵ l {\displaystyle z_{l}=\mu _{\phi }(x)+\sigma _{\phi }(x)\odot \epsilon _{l}} and ϵ l ∼ N ( 0 , I ) {\displaystyle \epsilon _{l}\sim {\mathcal {N}}(0,I)} for l = 1 , … , L {\displaystyle l=1,\ldots ,L} . This formulation enables backpropagation through the sampling process, allowing for end-to-end training of the VAE model using stochastic gradient descent or its variants. === Variational inference === More generally, the trick allows using stochastic gradient descent for variational inference. Let the variational objective (ELBO) be of the form: ELBO ( ϕ ) = E z ∼ q ϕ ( z ) [ log ⁡ p ( x , z ) − log ⁡ q ϕ ( z ) ] {\displaystyle {\text{ELBO}}(\phi )=\mathbb {E} _{z\sim q_{\phi }(z)}[\log p(x,z)-\log q_{\phi }(z)]} Using the reparameterization trick, we can estimate the gradient of this objective with respect to ϕ {\displaystyle \phi } : ∇ ϕ ELBO ( ϕ ) ≈ 1 L ∑ l = 1 L ∇ ϕ [ log ⁡ p ( x , g ϕ ( ϵ l ) ) − log ⁡ q ϕ ( g ϕ ( ϵ l ) ) ] , ϵ l ∼ p ( ϵ ) {\displaystyle \nabla _{\phi }{\text{ELBO}}(\phi )\approx {\frac {1}{L}}\sum _{l=1}^{L}\nabla _{\phi }[\log p(x,g_{\phi }(\epsilon _{l}))-\log q_{\phi }(g_{\phi }(\epsilon _{l}))],\quad \epsilon _{l}\sim p(\epsilon )} === Dropout === The reparameterization trick has been applied to reduce the variance in dropout, a regularization technique in neural networks. The original dropout can be reparameterized with Bernoulli distributions: y = ( W ⊙ ϵ ) x , ϵ i j ∼ Bernoulli ( α i j ) {\displaystyle y=(W\odot \epsilon )x,\quad \epsilon _{ij}\sim {\text{Bernoulli}}(\alpha _{ij})} where W {\displaystyle W} is the weight matrix, x {\displaystyle x} is the input, and α i j {\displaystyle \alpha _{ij}} are the (fixed) dropout rates. More generally, other distributions can be used than the Bernoulli distribution, such as the gaussian noise: y i = μ i + σ i ⊙ ϵ i , ϵ i ∼ N ( 0 , I ) {\displaystyle y_{i}=\mu _{i}+\sigma _{i}\odot \epsilon _{i},\quad \epsilon _{i}\sim {\mathcal {N}}(0,I)} where μ i = m i ⊤ x {\displaystyle \mu _{i}=\mathbf {m} _{i}^{\top }x} and σ i 2 = v i ⊤ x 2 {\displaystyle \sigma _{i}^{2}=\mathbf {v} _{i}^{\top }x^{2}} , with m i {\displaystyle \mathbf {m} _{i}} and v i {\displaystyle \mathbf {v} _{i}} being the mean and variance of the i {\displaystyle i} -th output neuron. The reparameterization trick can be applied to all such cases, resulting in the variational dropout method.

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  Character computing

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

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  Autonomous agent

  An autonomous agent is an artificial intelligence (AI) system that can perform complex tasks independently. == Definitions == There are various definitions of autonomous agent. According to Brustoloni (1991): "Autonomous agents are systems capable of autonomous, purposeful action in the real world." According to Maes (1995): "Autonomous agents are computational systems that inhabit some complex dynamic environment, sense and act autonomously in this environment, and by doing so realize a set of goals or tasks for which they are designed." Franklin and Graesser (1997) review different definitions and propose their definition: "An autonomous agent is a system situated within and a part of an environment that senses that environment and acts on it, over time, in pursuit of its own agenda and so as to effect what it senses in the future." They explain that: "Humans and some animals are at the high end of being an agent, with multiple, conflicting drives, multiples senses, multiple possible actions, and complex sophisticated control structures. At the low end, with one or two senses, a single action, and an absurdly simple control structure we find a thermostat." == Agent appearance == Lee et al. (2015) post safety issue from how the combination of external appearance and internal autonomous agent have impact on human reaction about autonomous vehicles. Their study explores the human-like appearance agent and high level of autonomy are strongly correlated with social presence, intelligence, safety and trustworthiness. In specific, appearance impacts most on affective trust while autonomy impacts most on both affective and cognitive domain of trust where cognitive trust is characterized by knowledge-based factors and affective trust is largely emotion driven. == Applications == Agentic AI systems: Advanced AI agents that can scope out projects and complete them with necessary tools, representing a significant evolution from simple task-oriented systems. Internet of things (IoT) Integration: Autonomous agents increasingly interact with IoT devices, enabling smart home systems, industrial monitoring, and urban infrastructure management. Collaborative software development: Tools like Cognition AI's Devin aim to create autonomous software engineers capable of complex reasoning, planning, and completing engineering tasks requiring thousands of decisions. Enterprise automation: Business process automation platforms like Salesforce's Agentforce provide autonomous bots for various service functions. == Challenges and considerations == Uncertainty and incomplete information: Autonomous agents must make decisions with limited or uncertain information about their environment and future states. Integration complexity: Incorporating autonomous agents into existing systems and workflows can be technically challenging and resource-intensive. Scalability: As systems become more complex and more agents are used, maintaining coordination and avoiding conflicts becomes increasingly difficult. Trust: Research has shown the combination of external appearance and internal autonomous capabilities significantly impacts human reactions and trust. Lee et al. (2015) found that human-like appearance and high levels of autonomy are strongly correlated with social presence, intelligence, safety, and trustworthiness perceptions. Specifically, appearance impacts affective trust most significantly, while autonomy affects both affective and cognitive trust domains, where affective trust is emotionally driven, and cognitive trust is characterized by knowledge-based factors. Vulnerability to manipulation: Researchers from Harvard, MIT and other educational institutions found that AI agents could become vulnerable to manipulation and could perform detrimental actions in the process of being helpful. == Ethical and regulatory concerns == Accountability: Determining responsibility when autonomous agents make incorrect or harmful decisions remains a complex issue. Privacy and security: autonomous agents often require access to sensitive data, raising concerns about data protection and system security.

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  Robot Monk Xian'er

  Robot Monk Xian'er (Chinese: 贤二机器僧) is a humanoid robot based on the cartoon character Xian'er. It was developed by a team of monks, volunteers and AI experts from Beijing Longquan Monastery in Beijing, China. He can follow human instructions to make body movements, read scriptures and play Buddhist music. He can chat and respond to people's emotional and spiritual questions with Buddhist wisdom. As a chatbot, Robot Monk Xian'er is available on certain public platforms including WeChat and Facebook. Over the years, master Xuecheng, the abbot of Beijing Longquan Monastery, replied to thousands of questions on Sina Weibo. These questions and their answers become the data source of the chatbot.

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  Symbolic regression

  Symbolic regression (SR) is a type of regression analysis that searches the space of mathematical expressions to find the model that best fits a given dataset, both in terms of accuracy and simplicity. No particular model is provided as a starting point for symbolic regression. Instead, initial expressions are formed by randomly combining mathematical building blocks such as mathematical operators, analytic functions, constants, and state variables. Usually, a subset of these primitives will be specified by the person operating it, but that's not a requirement of the technique. The symbolic regression problem for mathematical functions has been tackled with a variety of methods, including recombining equations most commonly using genetic programming, as well as more recent methods utilizing Bayesian methods and neural networks. Another non-classical alternative method to SR is called Universal Functions Originator (UFO), which has a different mechanism, search-space, and building strategy. Further methods such as Exact Learning attempt to transform the fitting problem into a moments problem in a natural function space, usually built around generalizations of the Meijer-G function. By not requiring a priori specification of a model, symbolic regression isn't affected by human bias, or unknown gaps in domain knowledge. It attempts to uncover the intrinsic relationships of the dataset, by letting the patterns in the data itself reveal the appropriate models, rather than imposing a model structure that is deemed mathematically tractable from a human perspective. The fitness function that drives the evolution of the models takes into account not only error metrics (to ensure the models accurately predict the data), but also special complexity measures, thus ensuring that the resulting models reveal the data's underlying structure in a way that's understandable from a human perspective. This facilitates reasoning and favors the odds of getting insights about the data-generating system, as well as improving generalisability and extrapolation behaviour by preventing overfitting. Accuracy and simplicity may be left as two separate objectives of the regression—in which case the optimum solutions form a Pareto front—or they may be combined into a single objective by means of a model selection principle such as minimum description length. It has been proven that symbolic regression is an NP-hard problem. Nevertheless, if the sought-for equation is not too complex it is possible to solve the symbolic regression problem exactly by generating every possible function (built from some predefined set of operators) and evaluating them on the dataset in question. == Difference from classical regression == While conventional regression techniques seek to optimize the parameters for a pre-specified model structure, symbolic regression avoids imposing prior assumptions, and instead infers the model from the data. In other words, it attempts to discover both model structures and model parameters. This approach has the disadvantage of having a much larger space to search, because not only the search space in symbolic regression is infinite, but there are an infinite number of models which will perfectly fit a finite data set (provided that the model complexity isn't artificially limited). This means that it will possibly take a symbolic regression algorithm longer to find an appropriate model and parametrization, than traditional regression techniques. This can be attenuated by limiting the set of building blocks provided to the algorithm, based on existing knowledge of the system that produced the data; but in the end, using symbolic regression is a decision that has to be balanced with how much is known about the underlying system. Nevertheless, this characteristic of symbolic regression also has advantages: because the evolutionary algorithm requires diversity in order to effectively explore the search space, the result is likely to be a selection of high-scoring models (and their corresponding set of parameters). Examining this collection could provide better insight into the underlying process, and allows the user to identify an approximation that better fits their needs in terms of accuracy and simplicity. == Benchmarking == === SRBench === In 2021, SRBench was proposed as a large benchmark for symbolic regression. In its inception, SRBench featured 14 symbolic regression methods, 7 other ML methods, and 252 datasets from PMLB. The benchmark intends to be a living project: it encourages the submission of improvements, new datasets, and new methods, to keep track of the state of the art in SR. === SRBench Competition 2022 === In 2022, SRBench announced the competition Interpretable Symbolic Regression for Data Science, which was held at the GECCO conference in Boston, MA. The competition pitted nine leading symbolic regression algorithms against each other on a novel set of data problems and considered different evaluation criteria. The competition was organized in two tracks, a synthetic track and a real-world data track. ==== Synthetic Track ==== In the synthetic track, methods were compared according to five properties: re-discovery of exact expressions; feature selection; resistance to local optima; extrapolation; and sensitivity to noise. Rankings of the methods were: QLattice PySR (Python Symbolic Regression) uDSR (Deep Symbolic Optimization) ==== Real-world Track ==== In the real-world track, methods were trained to build interpretable predictive models for 14-day forecast counts of COVID-19 cases, hospitalizations, and deaths in New York State. These models were reviewed by a subject expert and assigned trust ratings and evaluated for accuracy and simplicity. The ranking of the methods was: uDSR (Deep Symbolic Optimization) QLattice geneticengine (Genetic Engine) == Non-standard methods == Most symbolic regression algorithms prevent combinatorial explosion by implementing evolutionary algorithms that iteratively improve the best-fit expression over many generations. Recently, researchers have proposed algorithms utilizing other tactics in AI. Silviu-Marian Udrescu and Max Tegmark developed the "AI Feynman" algorithm, which attempts symbolic regression by training a neural network to represent the mystery function, then runs tests against the neural network to attempt to break up the problem into smaller parts. For example, if f ( x 1 , . . . , x i , x i + 1 , . . . , x n ) = g ( x 1 , . . . , x i ) + h ( x i + 1 , . . . , x n ) {\displaystyle f(x_{1},...,x_{i},x_{i+1},...,x_{n})=g(x_{1},...,x_{i})+h(x_{i+1},...,x_{n})} , tests against the neural network can recognize the separation and proceed to solve for g {\displaystyle g} and h {\displaystyle h} separately and with different variables as inputs. This is an example of divide and conquer, which reduces the size of the problem to be more manageable. AI Feynman also transforms the inputs and outputs of the mystery function in order to produce a new function which can be solved with other techniques, and performs dimensional analysis to reduce the number of independent variables involved. The algorithm was able to "discover" 100 equations from The Feynman Lectures on Physics, while a leading software using evolutionary algorithms, Eureqa, solved only 71. AI Feynman, in contrast to classic symbolic regression methods, requires a very large dataset in order to first train the neural network and is naturally biased towards equations that are common in elementary physics.

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  Discovery system (artificial intelligence)

  A discovery system is an artificial intelligence system that attempts to discover new scientific concepts or laws. The aim of discovery systems is to automate scientific data analysis and the scientific discovery process. Ideally, an artificial intelligence system should be able to search systematically through the space of all possible hypotheses and yield the hypothesis - or set of equally likely hypotheses - that best describes the complex patterns in data. During the era known as the second AI summer (approximately 1978–1987), various systems akin to the era's dominant expert systems were developed to tackle the problem of extracting scientific hypotheses from data, with or without interacting with a human scientist. These systems included Autoclass, Automated Mathematician, Eurisko, which aimed at general-purpose hypothesis discovery, and more specific systems such as Dalton, which uncovers molecular properties from data. The dream of building systems that discover scientific hypotheses was pushed to the background with the second AI winter and the subsequent resurgence of subsymbolic methods such as neural networks. Subsymbolic methods emphasize prediction over explanation, and yield models which works well but are difficult or impossible to explain which has earned them the name black box AI. A black-box model cannot be considered a scientific hypothesis, and this development has even led some researchers to suggest that the traditional aim of science - to uncover hypotheses and theories about the structure of reality - is obsolete. Other researchers disagree and argue that subsymbolic methods are useful in many cases, just not for generating scientific theories. == Discovery systems from the 1970s and 1980s == Autoclass was a Bayesian Classification System written in 1986 Automated Mathematician was one of the earliest successful discovery systems. It was written in 1977 and worked by generating a modifying small Lisp programs Eurisko was a Sequel to Automated Mathematician written in 1984 Dalton is a still maintained program capable of calculating various molecular properties initially launched in 1983 and available in open source since 2017 Glauber is a scientific discovery method written in the context of computational philosophy of science launched in 1983 == Modern discovery systems (2009–present) == After a couple of decades with little interest in discovery systems, the interest in using AI to uncover natural laws and scientific explanations was renewed by the work of Michael Schmidt, then a PhD student in Computational Biology at Cornell University. Schmidt and his advisor, Hod Lipson, invented Eureqa, which they described as a symbolic regression approach to "distilling free-form natural laws from experimental data". This work effectively demonstrated that symbolic regression was a promising way forward for AI-driven scientific discovery. Since 2009, symbolic regression has matured further, and today, various commercial and open source systems are actively used in scientific research. Notable examples include Eureqa, now a part of DataRobot AI Cloud Platform, AI Feynman, and QLattice.

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  Instance-based learning

  In machine learning, instance-based learning (sometimes called memory-based learning) is a family of learning algorithms that, instead of performing explicit generalization, compare new problem instances with instances seen in training, which have been stored in memory. Because computation is postponed until a new instance is observed, these algorithms are sometimes referred to as "lazy." It is called instance-based because it constructs hypotheses directly from the training instances themselves. This means that the hypothesis complexity can grow with the data: in the worst case, a hypothesis is a list of n training items and the computational complexity of classifying a single new instance is O(n). One advantage that instance-based learning has over other methods of machine learning is its ability to adapt its model to previously unseen data. Instance-based learners may simply store a new instance or throw an old instance away. Examples of instance-based learning algorithms are the k-nearest neighbors algorithm, kernel machines and RBF networks. These store (a subset of) their training set; when predicting a value/class for a new instance, they compute distances or similarities between this instance and the training instances to make a decision. To battle the memory complexity of storing all training instances, as well as the risk of overfitting to noise in the training set, instance reduction algorithms have been proposed.

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  Smoothing

  In statistics and image processing, to smooth a data set is to create an approximating function that attempts to capture important patterns in the data, while leaving out noise or other fine-scale structures/rapid phenomena. In smoothing, the data points of a signal are modified so individual points higher than the adjacent points (presumably because of noise) are reduced, and points that are lower than the adjacent points are increased, leading to a smoother signal. Reducing noise by smoothing may aid in data analysis in two notable ways: Help uncover more meaningful information from the underlying data, such as trends. Provide analyses that are both flexible and robust. Many different algorithms are used in smoothing, most commonly binning, kernels, and local weighted regression. == Compared to curve fitting == Smoothing may be distinguished from the related and partially overlapping concept of curve fitting in the following ways: curve fitting often involves the use of an explicit function form for the result, whereas the immediate results from smoothing are the "smoothed" values with no later use made of a functional form if there is one; the aim of smoothing is to give a general idea of relatively slow changes of value with little attention paid to the close matching of data values, while curve fitting concentrates on achieving as close a match as possible. smoothing methods often have an associated tuning parameter which is used to control the extent of smoothing. Curve fitting will adjust any number of parameters of the function to obtain the 'best' fit. == Linear smoothers == In the case that the smoothed values can be written as a linear transformation of the observed values, the smoothing operation is known as a linear smoother; the matrix representing the transformation is known as a smoother matrix or hat matrix. The operation of applying such a matrix transformation is called convolution. Thus the matrix is also called convolution matrix or a convolution kernel. In the case of simple series of data points (rather than a multi-dimensional image), the convolution kernel is a one-dimensional vector. == Algorithms == One of the most common algorithms is the "moving average", often used to try to capture important trends in repeated statistical surveys. In image processing and computer vision, smoothing ideas are used in scale space representations. The simplest smoothing algorithm is the "rectangular" or "unweighted sliding-average smooth". This method replaces each point in the signal with the average of "m" adjacent points, where "m" is a positive integer called the "smooth width". Usually m is an odd number. The triangular smooth is like the rectangular smooth except that it implements a weighted smoothing function. Some specific smoothing and filter types, with their respective uses, pros and cons are:

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  Manifold hypothesis

  The manifold hypothesis posits that many high-dimensional data sets that occur in the real world actually lie along low-dimensional latent manifolds inside that high-dimensional space. As a consequence of the manifold hypothesis, many data sets that appear to initially require many variables to describe, can actually be described by a comparatively small number of variables, linked to the local coordinate system of the underlying manifold. It is suggested that this principle underpins the effectiveness of machine learning algorithms in describing high-dimensional data sets by considering a few common features. The manifold hypothesis is related to the effectiveness of nonlinear dimensionality reduction techniques in machine learning. Many techniques of dimensional reduction make the assumption that data lies along a low-dimensional submanifold, such as manifold sculpting, manifold alignment, and manifold regularization. The major implications of this hypothesis is that Machine learning models only have to fit relatively simple, low-dimensional, highly structured subspaces within their potential input space (latent manifolds). Within one of these manifolds, it's always possible to interpolate between two inputs, that is to say, morph one into another via a continuous path along which all points fall on the manifold. The ability to interpolate between samples is the key to generalization in deep learning. == The information geometry of statistical manifolds == An empirically-motivated approach to the manifold hypothesis focuses on its correspondence with an effective theory for manifold learning under the assumption that robust machine learning requires encoding the dataset of interest using methods for data compression. This perspective gradually emerged using the tools of information geometry thanks to the coordinated effort of scientists working on the efficient coding hypothesis, predictive coding and variational Bayesian methods. The argument for reasoning about the information geometry on the latent space of distributions rests upon the existence and uniqueness of the Fisher information metric. In this general setting, we are trying to find a stochastic embedding of a statistical manifold. From the perspective of dynamical systems, in the big data regime this manifold generally exhibits certain properties such as homeostasis: We can sample large amounts of data from the underlying generative process. Machine Learning experiments are reproducible, so the statistics of the generating process exhibit stationarity. In a sense made precise by theoretical neuroscientists working on the free energy principle, the statistical manifold in question possesses a Markov blanket.

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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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