In computational chemistry and cheminformatics, ARKA descriptors in QSAR are a class of molecular descriptors used in quantitative structure–activity relationship (QSAR) modeling (or related approaches such as QSPR and QSTR), a computational method for predicting the biological activity or toxicity of chemical compounds based on their molecular structure. Molecular descriptors are numerical values that summarize information about a molecule's structure, topology, geometry, or physicochemical properties in a form suitable for machine learning or statistical modeling. ARKA (Arithmetic Residuals in K-Groups Analysis) descriptors differ from traditional descriptors by encoding atomic-level information through recursive autoregression techniques, which aim to capture subtle structural patterns and improve predictive accuracy. They are designed to be both interpretable and well-suited to modeling nonlinear relationships in QSAR studies. == Comparisons == While QSAR is essentially a similarity-based approach, the occurrence of activity/property cliffs may greatly reduce the predictive accuracy of the developed models. The novel Arithmetic Residuals in K-groups Analysis (ARKA) approach is a supervised dimensionality reduction technique developed by the DTC Laboratory, Jadavpur University that can easily identify activity cliffs in a data set. Activity cliffs are similar in their structures but differ considerably in their activity. The basic idea of the ARKA descriptors is to group the conventional QSAR descriptors based on a predefined criterion and then assign weightage to each descriptor in each group. ARKA descriptors have also been used to develop classification-based and regression-based QSAR models with acceptable quality statistics. The ARKA descriptors have been used for the identification of activity cliffs in QSAR studies and/or model development by multiple researchers. A tutorial presentation on the ARKA descriptors is available. Recently a multi-class ARKA framework has been proposed for improved q-RASAR model generation.
Trustworthy computing
The term trustworthy computing (TwC) has been applied to computing systems that are inherently secure, available, and reliable. It is particularly associated with the Microsoft initiative of the same name, launched in 2002. == History == Until 1995, there were restrictions on commercial traffic over the Internet. On, May 26, 1995, Bill Gates sent the "Internet Tidal Wave" memorandum to Microsoft executives assigning "...the Internet this highest level of importance..." but Microsoft's Windows 95 was released without a web browser as Microsoft had not yet developed one. The success of the web had caught them by surprise but by mid 1995, they were testing their own web server, and on August 24, 1995, launched a major online service, The Microsoft Network (MSN). The National Research Council recognized that the rise of the Internet simultaneously increased societal reliance on computer systems while increasing the vulnerability of such systems to failure and produced an important report in 1999, "Trust in Cyberspace". This report reviews the cost of un-trustworthy systems and identifies actions required for improvement. == Microsoft and Trustworthy Computing == Bill Gates launched Microsoft's "Trustworthy Computing" initiative with a January 15, 2002 memo, referencing an internal whitepaper by Microsoft CTO and Senior Vice President Craig Mundie. The move was reportedly prompted by the fact that they "...had been under fire from some of its larger customers–government agencies, financial companies and others–about the security problems in Windows, issues that were being brought front and center by a series of self-replicating worms and embarrassing attacks." such as Code Red, Nimda, Klez and Slammer. Four areas were identified as the initiative's key areas: Security, Privacy, Reliability, and Business Integrity, and despite some initial scepticism, at its 10-year anniversary it was generally accepted as having "...made a positive impact on the industry...". The Trustworthy Computing campaign was the main reason why Easter eggs disappeared from Windows, Office and other Microsoft products.
Multi expression programming
Multi Expression Programming (MEP) is an evolutionary algorithm for generating mathematical functions describing a given set of data. MEP is a Genetic Programming variant encoding multiple solutions in the same chromosome. MEP representation is not specific (multiple representations have been tested). In the simplest variant, MEP chromosomes are linear strings of instructions. This representation was inspired by Three-address code. MEP strength consists in the ability to encode multiple solutions, of a problem, in the same chromosome. In this way, one can explore larger zones of the search space. For most of the problems this advantage comes with no running-time penalty compared with genetic programming variants encoding a single solution in a chromosome. == Representation == MEP chromosomes are arrays of instructions represented in Three-address code format. Each instruction contains a variable, a constant, or a function. If the instruction is a function, then the arguments (given as instruction's addresses) are also present. === Example of MEP program === Here is a simple MEP chromosome (labels on the left side are not a part of the chromosome): 1: a 2: b 3: + 1, 2 4: c 5: d 6: + 4, 5 7: 3, 5 == Fitness computation == When the chromosome is evaluated it is unclear which instruction will provide the output of the program. In many cases, a set of programs is obtained, some of them being completely unrelated (they do not have common instructions). For the above chromosome, here is the list of possible programs obtained during decoding: E1 = a, E2 = b, E4 = c, E5 = d, E3 = a + b. E6 = c + d. E7 = (a + b) d. Each instruction is evaluated as a possible output of the program. The fitness (or error) is computed in a standard manner. For instance, in the case of symbolic regression, the fitness is the sum of differences (in absolute value) between the expected output (called target) and the actual output. == Fitness assignment process == Which expression will represent the chromosome? Which one will give the fitness of the chromosome? In MEP, the best of them (which has the lowest error) will represent the chromosome. This is different from other GP techniques: In Linear genetic programming the last instruction will give the output. In Cartesian Genetic Programming the gene providing the output is evolved like all other genes. Note that, for many problems, this evaluation has the same complexity as in the case of encoding a single solution in each chromosome. Thus, there is no penalty in running time compared to other techniques. == Software == === MEPX === MEPX is a cross-platform (Windows, macOS, and Linux Ubuntu) free software for the automatic generation of computer programs. It can be used for data analysis, particularly for solving symbolic regression, statistical classification and time-series problems. === libmep === Libmep is a free and open source library implementing Multi Expression Programming technique. It is written in C++. === hmep === hmep is a new open source library implementing Multi Expression Programming technique in Haskell programming language.
Stochastic gradient descent
Stochastic gradient descent (often abbreviated SGD) is an iterative method for optimizing an objective function with suitable smoothness properties (e.g. differentiable or subdifferentiable). It can be regarded as a stochastic approximation of gradient descent optimization, since it replaces the actual gradient (calculated from the entire data set) by an estimate thereof (calculated from a randomly selected subset of the data). Especially in high-dimensional optimization problems this reduces the very high computational burden, achieving faster iterations in exchange for a lower convergence rate. The basic idea behind stochastic approximation can be traced back to the Robbins–Monro algorithm of the 1950s. Today, stochastic gradient descent has become an important optimization method in machine learning. == Background == Both statistical estimation and machine learning consider the problem of minimizing an objective function that has the form of a sum: Q ( w ) = 1 n ∑ i = 1 n Q i ( w ) , {\displaystyle Q(w)={\frac {1}{n}}\sum _{i=1}^{n}Q_{i}(w),} where the parameter w {\displaystyle w} that minimizes Q ( w ) {\displaystyle Q(w)} is to be estimated. Each summand function Q i {\displaystyle Q_{i}} is typically associated with the i {\displaystyle i} -th observation in the data set (used for training). In classical statistics, sum-minimization problems arise in least squares and in maximum-likelihood estimation (for independent observations). The general class of estimators that arise as minimizers of sums are called M-estimators. However, in statistics, it has been long recognized that requiring even local minimization is too restrictive for some problems of maximum-likelihood estimation. Therefore, contemporary statistical theorists often consider stationary points of the likelihood function (or zeros of its derivative, the score function, and other estimating equations). The sum-minimization problem also arises for empirical risk minimization. There, Q i ( w ) {\displaystyle Q_{i}(w)} is the value of the loss function at i {\displaystyle i} -th example, and Q ( w ) {\displaystyle Q(w)} is the empirical risk. When used to minimize the above function, a standard (or "batch") gradient descent method would perform the following iterations: w := w − η ∇ Q ( w ) = w − η n ∑ i = 1 n ∇ Q i ( w ) . {\displaystyle w:=w-\eta \,\nabla Q(w)=w-{\frac {\eta }{n}}\sum _{i=1}^{n}\nabla Q_{i}(w).} The step size is denoted by η {\displaystyle \eta } (sometimes called the learning rate in machine learning) and here " := {\displaystyle :=} " denotes the update of a variable in the algorithm. In many cases, the summand functions have a simple form that enables inexpensive evaluations of the sum-function and the sum gradient. For example, in statistics, one-parameter exponential families allow economical function-evaluations and gradient-evaluations. However, in other cases, evaluating the sum-gradient may require expensive evaluations of the gradients from all summand functions. When the training set is enormous and no simple formulas exist, evaluating the sums of gradients becomes very expensive, because evaluating the gradient requires evaluating all the summand functions' gradients. To economize on the computational cost at every iteration, stochastic gradient descent samples a subset of summand functions at every step. This is very effective in the case of large-scale machine learning problems. == Iterative method == In stochastic (or "on-line") gradient descent, the true gradient of Q ( w ) {\displaystyle Q(w)} is approximated by a gradient at a single sample: w := w − η ∇ Q i ( w ) . {\displaystyle w:=w-\eta \,\nabla Q_{i}(w).} As the algorithm sweeps through the training set, it performs the above update for each training sample. Several passes can be made over the training set until the algorithm converges. If this is done, the data can be shuffled for each pass to prevent cycles. Typical implementations may use an adaptive learning rate so that the algorithm converges. In pseudocode, stochastic gradient descent can be presented as : A compromise between computing the true gradient and the gradient at a single sample is to compute the gradient against more than one training sample (called a "mini-batch") at each step. This can perform significantly better than "true" stochastic gradient descent described, because the code can make use of vectorization libraries rather than computing each step separately as was first shown in where it was called "the bunch-mode back-propagation algorithm". It may also result in smoother convergence, as the gradient computed at each step is averaged over more training samples. The convergence of stochastic gradient descent has been analyzed using the theories of convex minimization and of stochastic approximation. Briefly, when the learning rates η {\displaystyle \eta } decrease with an appropriate rate, and subject to relatively mild assumptions, stochastic gradient descent converges almost surely to a global minimum when the objective function is convex or pseudoconvex, and otherwise converges almost surely to a local minimum. This is in fact a consequence of the Robbins–Siegmund theorem. == Linear regression == Suppose we want to fit a straight line y ^ = w 1 + w 2 x {\displaystyle {\hat {y}}=w_{1}+w_{2}x} to a training set with observations ( ( x 1 , y 1 ) , ( x 2 , y 2 ) … , ( x n , y n ) ) {\displaystyle ((x_{1},y_{1}),(x_{2},y_{2})\ldots ,(x_{n},y_{n}))} and corresponding estimated responses ( y ^ 1 , y ^ 2 , … , y ^ n ) {\displaystyle ({\hat {y}}_{1},{\hat {y}}_{2},\ldots ,{\hat {y}}_{n})} using least squares. The objective function to be minimized is Q ( w ) = ∑ i = 1 n Q i ( w ) = ∑ i = 1 n ( y ^ i − y i ) 2 = ∑ i = 1 n ( w 1 + w 2 x i − y i ) 2 . {\displaystyle Q(w)=\sum _{i=1}^{n}Q_{i}(w)=\sum _{i=1}^{n}\left({\hat {y}}_{i}-y_{i}\right)^{2}=\sum _{i=1}^{n}\left(w_{1}+w_{2}x_{i}-y_{i}\right)^{2}.} The last line in the above pseudocode for this specific problem will become: [ w 1 w 2 ] ← [ w 1 w 2 ] − η [ ∂ ∂ w 1 ( w 1 + w 2 x i − y i ) 2 ∂ ∂ w 2 ( w 1 + w 2 x i − y i ) 2 ] = [ w 1 w 2 ] − η [ 2 ( w 1 + w 2 x i − y i ) 2 x i ( w 1 + w 2 x i − y i ) ] . {\displaystyle {\begin{bmatrix}w_{1}\\w_{2}\end{bmatrix}}\leftarrow {\begin{bmatrix}w_{1}\\w_{2}\end{bmatrix}}-\eta {\begin{bmatrix}{\frac {\partial }{\partial w_{1}}}(w_{1}+w_{2}x_{i}-y_{i})^{2}\\{\frac {\partial }{\partial w_{2}}}(w_{1}+w_{2}x_{i}-y_{i})^{2}\end{bmatrix}}={\begin{bmatrix}w_{1}\\w_{2}\end{bmatrix}}-\eta {\begin{bmatrix}2(w_{1}+w_{2}x_{i}-y_{i})\\2x_{i}(w_{1}+w_{2}x_{i}-y_{i})\end{bmatrix}}.} Note that in each iteration or update step, the gradient is only evaluated at a single x i {\displaystyle x_{i}} . This is the key difference between stochastic gradient descent and batched gradient descent. In general, given a linear regression y ^ = ∑ k ∈ 1 : m w k x k {\displaystyle {\hat {y}}=\sum _{k\in 1:m}w_{k}x_{k}} problem, stochastic gradient descent behaves differently when m < n {\displaystyle m In combinatorics and computational learning theory, a witness set is a set of elements that distinguishes a given Boolean function from a given class of other Boolean functions. Let C {\displaystyle C} be a concept class over a domain X {\displaystyle X} (that is, a family of Boolean functions over X {\displaystyle X} ) and c {\displaystyle c} be a concept in X {\displaystyle X} (a single Boolean function). A subset S {\displaystyle S} of X {\displaystyle X} is a witness set for c {\displaystyle c} in X {\displaystyle X} if S {\displaystyle S} distinguishes c {\displaystyle c} from all the other functions in C {\displaystyle C} , in the sense that no other function in C {\displaystyle C} has the same values on S {\displaystyle S} . For a concept class with | C | {\displaystyle |C|} concepts, there exists a concept that has a witness of size at most log 2 | C | {\displaystyle \log _{2}|C|} ; this bound is tight when C {\displaystyle C} consists of all Boolean functions over X {\displaystyle X} . By a result of Bondy (1972) there exists a single witness set of size at most | C | − 1 {\displaystyle |C|-1} that is valid for all concepts in C {\displaystyle C} ; this bound is tight when C {\displaystyle C} consists of the indicator functions of the empty set and some singleton sets. One way to construct this set is to interpret the concepts as bitstrings, and the domain elements as positions in these bitstrings. Then the set of positions at which a trie of the bitstrings branches forms the desired witness set. This construction is central to the operation of the fusion tree data structure. The minimum size of a witness set for c {\displaystyle c} is called the witness size or specification number and is denoted by w C ( c ) {\displaystyle w_{C}(c)} . The value max { w C ( c ) : c ∈ C } {\displaystyle \max\{w_{C}(c):c\in C\}} is called the teaching dimension of C {\displaystyle C} . It represents the number of examples of a concept that need to be presented by a teacher to a learner, in the worst case, to enable the learner to determine which concept is being presented. Witness sets have also been called teaching sets, keys, specifying sets, or discriminants. The "witness set" terminology is from Kushilevitz et al. (1996), who trace the concept of witness sets to work by Cover (1965). Microsoft Clipchamp is a freemium video editing tool developed by Australian company Clipchamp Pty Ltd., a subsidiary of Microsoft. It is a web-based, non-linear editing software that allows users to import, edit, and export audiovisual material in a web browser window. The application is designed to be easy to use for beginners. Clipchamp has offices in Australia, the Philippines, Germany, and the United States. According to figures published by the company, at the beginning of 2021, it had more than 14 million users worldwide. In September 2021, Clipchamp Pty Ltd. was acquired by Microsoft. It has since been offered in a personal version through a Microsoft account and in a business or education version through a work or school account that is built on OneDrive and SharePoint. == Features == Microsoft Clipchamp has multiple features that allow further creativity and accessibility. Since July 2023, users can drag and drop files from their computer, OneDrive, and SharePoint (images, sound & video files) into a list of all media uploaded or inserted. Users can insert media into the video timeline as many times as they want. Users can replace an image, sound, or video clip with another by dragging and dropping it over the target. There is also a Gap Remover tool that removes gaps in the video. Videos can be trimmed, along with timings that can be edited. The user can crop videos and images, too. Text can be added anywhere on the screen, and can be in many fonts, and the size can be changed, too. Specific text color can be selected using presets or an HSV picker, and specific Text Styles (bold, medium, italics, normal) can be selected. The aspect ratio can also be selected, including 16:9, 9:16, 1:1, 4:5, 2:3, and 21:9. Clipchamp also supports numerous effects and transitions for videos and images. The user can export videos in 480p, 720p, and 1080p for free. Exporting GIFs are possible, while the video has to be 15 seconds or less. Microsoft Clipchamp uses a hybrid model of desktop and online application. In the personal version of Clipchamp (on Windows and in a web browser), video processing is all done locally on the computer and mobile phones, but the app itself runs online as a browser-based web app. This is done by uploading and saving project data and information like file names online but not the associated media files themselves. In the work version of Clipchamp, which is a part of Microsoft 365, media files are still processed locally but are automatically backed up to the user's OneDrive or SharePoint work or school account so that it can be accessed anywhere. This version also has integration with other Microsoft productivity services like Microsoft Teams and Microsoft Stream. == History == Clipchamp Pty Ltd. was founded as a startup company by Alexander Dreiling (current CEO), Dave Hewitt, Tobias Raub and Soeren Balko, in Brisbane, Australia, in 2013. In an interview given to SmartCompany, Dreiling commented that at first, the company was "trying to build an enormous, distributed supercomputer". Among the first software developed by the company's team was a tool for video compression and conversion. 2014 saw the official launch of the first version of the free, audiovisual browser-based software on the Clipchamp platform. When the supercomputer project ground to a halt, the team decided to keep going with the video programming technology, which was, in the words of Dreiling, "a tool that worked on Chromebooks". In June 2016, Clipchamp was valued at 1.1 million dollars, according to the Wall Street Journal. In the same month, the second version of Clipchamp was launched internationally. By 2018, the firm had amassed 6.5 million users, attracting investors such as Steve Baxter, who invested one million dollars. In 2020, Clipchamp set up a base in Seattle, USA, after achieving capital of 13.2 million dollars, from alliances made with investment funds such as Transition Level Investments, Tola Capital, and TEN13, among others. In February 2021, Clipchamp published on its website that it has 14 million users worldwide, registered in 250 countries and territories. At that time, the company announced that it had an audiovisual library of 800,000 files. On September 7, 2021, Microsoft announced the acquisition of Clipchamp. In a press release, they expressed their interest in learning more about the video content creation market. Johnson Winter Slattery advised Microsoft on its acquisition. Clipchamp was integrated as part of Windows 11 beginning on March 9, 2022, as part of Insider Preview Build 22572. In pattern recognition, iDistance is an indexing and query processing technique for k-nearest neighbor queries on point data in multi-dimensional metric spaces. The kNN query is one of the hardest problems on multi-dimensional data, especially when the dimensionality of the data is high. iDistance is designed to process kNN queries in high-dimensional spaces efficiently and performs extremely well for skewed data distributions, which usually occur in real-life data sets. iDistance employs a two-phase search strategy involving an initial filtering of candidate regions and a subsequent refinement of results, an approach aligned with the Filter and Refine Principle (FRP). This means that the index first prunes the search space to eliminate unlikely candidates, then verifies the true nearest neighbors in a refinement step, following the general FRP paradigm used in database search algorithms. The iDistance index can also be augmented with machine learning models to learn data distributions for improved searching and storage of multi-dimensional data. == Indexing == Building the iDistance index has two steps: A number of reference points in the data space are chosen. There are various ways of choosing reference points. Using cluster centers as reference points is the most efficient way. The data points are partitioned into Voronoi cells based on well-chosen reference points. The distance between a data point and its closest reference point is calculated. This distance plus a scaling value is called the point's iDistance. By this means, points in a multi-dimensional space are mapped to one-dimensional values, and then a B+-tree can be adopted to index the points using the iDistance as the key. The figure on the right shows an example where three reference points (O1, O2, O3) are chosen. The data points are then mapped to a one-dimensional space and indexed in a B+-tree. Various extensions have been proposed to make the selection of reference points for effective query performance, including employing machine learning to learn the identification of reference points. == Query processing == To process a kNN query, the query is mapped to a number of one-dimensional range queries, which can be processed efficiently on a B+-tree. In the above figure, the query Q is mapped to a value in the B+-tree while the kNN search ``sphere" is mapped to a range in the B+-tree. The search sphere expands gradually until the k NNs are found. This corresponds to gradually expanding range searches in the B+-tree. The iDistance technique can be viewed as a way of accelerating the sequential scan. Instead of scanning records from the beginning to the end of the data file, the iDistance starts the scan from spots where the nearest neighbors can be obtained early with a very high probability. == Applications == The iDistance has been used in many applications including Image retrieval Video indexing Similarity search in P2P systems Mobile computing Recommender system == Historical background == The iDistance was first proposed by Cui Yu, Beng Chin Ooi, Kian-Lee Tan and H. V. Jagadish in 2001. Later, together with Rui Zhang, they improved the technique and performed a more comprehensive study on it in 2005.Witness set
Microsoft Clipchamp
IDistance