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  • Hierarchical Risk Parity

    Hierarchical Risk Parity

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

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  • Mean squared error

    Mean squared error

    In statistics, the mean squared error (MSE) or mean squared deviation (MSD) of an estimator (of a procedure for estimating an unobserved quantity) measures the average of the squares of the errors—that is, the average squared difference between the estimated values and the true value. MSE is a risk function, corresponding to the expected value of the squared error loss. The fact that MSE is almost always strictly positive (and not zero) is because of randomness or because the estimator does not account for information that could produce a more accurate estimate. In machine learning, specifically empirical risk minimization, MSE may refer to the empirical risk (the average loss on an observed data set), as an estimate of the true MSE (the true risk: the average loss on the actual population distribution). The MSE is a measure of the quality of an estimator. As it is derived from the square of Euclidean distance, it is always a positive value that decreases as the error approaches zero. The MSE is the second moment (about the origin) of the error, and thus incorporates both the variance of the estimator (how widely spread the estimates are from one data sample to another) and its bias (how far off the average estimated value is from the true value). For an unbiased estimator, the MSE is the variance of the estimator. Like the variance, MSE has the same units of measurement as the square of the quantity being estimated. In an analogy to standard deviation, taking the square root of MSE yields the root-mean-square error or root-mean-square deviation (RMSE or RMSD), which has the same units as the quantity being estimated; for an unbiased estimator, the RMSE is the square root of the variance, known as the standard error. == Definition and basic properties == The MSE either assesses the quality of a predictor (i.e., a function mapping arbitrary inputs to a sample of values of some random variable), or of an estimator (i.e., a mathematical function mapping a sample of data to an estimate of a parameter of the population from which the data is sampled). In the context of prediction, understanding the prediction interval can also be useful as it provides a range within which a future observation will fall, with a certain probability. The definition of an MSE differs according to whether one is describing a predictor or an estimator. === Predictor === If a vector of n {\displaystyle n} predictions is generated from a sample of n {\displaystyle n} data points on all variables, and Y {\displaystyle Y} is the vector of observed values of the variable being predicted, with Y ^ {\displaystyle {\hat {Y}}} being the predicted values (e.g. as from a least-squares fit), then the within-sample MSE of the predictor is computed as MSE = 1 n ∑ i = 1 n ( Y i − Y i ^ ) 2 {\displaystyle \operatorname {MSE} ={\frac {1}{n}}\sum _{i=1}^{n}\left(Y_{i}-{\hat {Y_{i}}}\right)^{2}} In other words, the MSE is the mean ( 1 n ∑ i = 1 n ) {\textstyle \left({\frac {1}{n}}\sum _{i=1}^{n}\right)} of the squares of the errors ( Y i − Y i ^ ) 2 {\textstyle \left(Y_{i}-{\hat {Y_{i}}}\right)^{2}} . This is an easily computable quantity for a particular sample (and hence is sample-dependent). In matrix notation, MSE = 1 n ∑ i = 1 n ( e i ) 2 = 1 n e T e {\displaystyle \operatorname {MSE} ={\frac {1}{n}}\sum _{i=1}^{n}(e_{i})^{2}={\frac {1}{n}}\mathbf {e} ^{\mathsf {T}}\mathbf {e} } where e i {\displaystyle e_{i}} is Y i − Y i ^ {\displaystyle Y_{i}-{\hat {Y_{i}}}} and e {\displaystyle \mathbf {e} } is a n × 1 {\displaystyle n\times 1} column vector. The MSE can also be computed on q data points that were not used in estimating the model, either because they were held back for this purpose, or because these data have been newly obtained. Within this process, known as cross-validation, the MSE is often called the test MSE, and is computed as MSE = 1 q ∑ i = n + 1 n + q ( Y i − Y i ^ ) 2 {\displaystyle \operatorname {MSE} ={\frac {1}{q}}\sum _{i=n+1}^{n+q}\left(Y_{i}-{\hat {Y_{i}}}\right)^{2}} === Estimator === The MSE of an estimator θ ^ {\displaystyle {\hat {\theta }}} with respect to an unknown parameter θ {\displaystyle \theta } is defined as MSE ⁡ ( θ ^ ) = E θ ⁡ [ ( θ ^ − θ ) 2 ] . {\displaystyle \operatorname {MSE} ({\hat {\theta }})=\operatorname {E} _{\theta }\left[({\hat {\theta }}-\theta )^{2}\right].} This definition depends on the unknown parameter, therefore the MSE is a priori property of an estimator. The MSE could be a function of unknown parameters, in which case any estimator of the MSE based on estimates of these parameters would be a function of the data (and thus a random variable). If the estimator θ ^ {\displaystyle {\hat {\theta }}} is derived as a sample statistic and is used to estimate some population parameter, then the expectation is with respect to the sampling distribution of the sample statistic. The MSE can be written as the sum of the variance of the estimator and the squared bias of the estimator, providing a useful way to calculate the MSE and implying that in the case of unbiased estimators, the MSE and variance are equivalent. MSE ⁡ ( θ ^ ) = Var θ ⁡ ( θ ^ ) + Bias ⁡ ( θ ^ , θ ) 2 . {\displaystyle \operatorname {MSE} ({\hat {\theta }})=\operatorname {Var} _{\theta }({\hat {\theta }})+\operatorname {Bias} ({\hat {\theta }},\theta )^{2}.} ==== Proof of variance and bias relationship ==== MSE ⁡ ( θ ^ ) = E θ ⁡ [ ( θ ^ − θ ) 2 ] = E θ ⁡ [ ( θ ^ − E θ ⁡ [ θ ^ ] + E θ ⁡ [ θ ^ ] − θ ) 2 ] = E θ ⁡ [ ( θ ^ − E θ ⁡ [ θ ^ ] ) 2 + 2 ( θ ^ − E θ ⁡ [ θ ^ ] ) ( E θ ⁡ [ θ ^ ] − θ ) + ( E θ ⁡ [ θ ^ ] − θ ) 2 ] = E θ ⁡ [ ( θ ^ − E θ ⁡ [ θ ^ ] ) 2 ] + E θ ⁡ [ 2 ( θ ^ − E θ ⁡ [ θ ^ ] ) ( E θ ⁡ [ θ ^ ] − θ ) ] + E θ ⁡ [ ( E θ ⁡ [ θ ^ ] − θ ) 2 ] = E θ ⁡ [ ( θ ^ − E θ ⁡ [ θ ^ ] ) 2 ] + 2 ( E θ ⁡ [ θ ^ ] − θ ) E θ ⁡ [ θ ^ − E θ ⁡ [ θ ^ ] ] + ( E θ ⁡ [ θ ^ ] − θ ) 2 E θ ⁡ [ θ ^ ] − θ = constant = E θ ⁡ [ ( θ ^ − E θ ⁡ [ θ ^ ] ) 2 ] + 2 ( E θ ⁡ [ θ ^ ] − θ ) ( E θ ⁡ [ θ ^ ] − E θ ⁡ [ θ ^ ] ) + ( E θ ⁡ [ θ ^ ] − θ ) 2 E θ ⁡ [ θ ^ ] = constant = E θ ⁡ [ ( θ ^ − E θ ⁡ [ θ ^ ] ) 2 ] + ( E θ ⁡ [ θ ^ ] − θ ) 2 = Var θ ⁡ ( θ ^ ) + Bias θ ⁡ ( θ ^ , θ ) 2 {\displaystyle {\begin{aligned}\operatorname {MSE} ({\hat {\theta }})&=\operatorname {E} _{\theta }\left[({\hat {\theta }}-\theta )^{2}\right]\\&=\operatorname {E} _{\theta }\left[\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]+\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)^{2}\right]\\&=\operatorname {E} _{\theta }\left[\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)^{2}+2\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)+\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)^{2}\right]\\&=\operatorname {E} _{\theta }\left[\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)^{2}\right]+\operatorname {E} _{\theta }\left[2\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)\right]+\operatorname {E} _{\theta }\left[\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)^{2}\right]\\&=\operatorname {E} _{\theta }\left[\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)^{2}\right]+2\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)\operatorname {E} _{\theta }\left[{\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right]+\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)^{2}&&\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta ={\text{constant}}\\&=\operatorname {E} _{\theta }\left[\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)^{2}\right]+2\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)+\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)^{2}&&\operatorname {E} _{\theta }[{\hat {\theta }}]={\text{constant}}\\&=\operatorname {E} _{\theta }\left[\left({\hat {\theta }}-\operatorname {E} _{\theta }[{\hat {\theta }}]\right)^{2}\right]+\left(\operatorname {E} _{\theta }[{\hat {\theta }}]-\theta \right)^{2}\\&=\operatorname {Var} _{\theta }({\hat {\theta }})+\operatorname {Bias} _{\theta }({\hat {\theta }},\theta )^{2}\end{aligned}}} An even shorter proof can be achieved using the well-known formula that for a random variable X {\textstyle X} , E ( X 2 ) = Var ⁡ ( X ) + ( E ( X ) ) 2 {\textstyle \mathbb {E} (X^{2})=\operatorname {Var} (X)+(\mathbb {E} (X))^{2}} . By substituting X {\textstyle X} with, θ ^ − θ {\textstyle {\hat {\theta }}-\theta } , we have MSE ⁡ ( θ ^ ) = E [ ( θ ^ − θ ) 2 ] = Var ⁡ ( θ ^ − θ ) + ( E [ θ ^ − θ ] ) 2 = Var ⁡ ( θ ^ ) + Bias 2 ⁡ ( θ ^ , θ ) {\displaystyle {\begin{aligned}\operatorname {MSE} ({\hat {\theta }})&=\mathbb {E} [({\hat {\theta }}-\theta )^{2}]\\&=\operator

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  • Stress majorization

    Stress majorization

    Stress majorization is an optimization strategy used in multidimensional scaling (MDS) where, for a set of n {\displaystyle n} m {\displaystyle m} -dimensional data items, a configuration X {\displaystyle X} of n {\displaystyle n} points in r {\displaystyle r} ( ≪ m ) {\displaystyle (\ll m)} -dimensional space is sought that minimizes the so-called stress function σ ( X ) {\displaystyle \sigma (X)} . Usually r {\displaystyle r} is 2 {\displaystyle 2} or 3 {\displaystyle 3} , i.e. the ( n × r ) {\displaystyle (n\times r)} matrix X {\displaystyle X} lists points in 2 − {\displaystyle 2-} or 3 − {\displaystyle 3-} dimensional Euclidean space so that the result may be visualised (i.e. an MDS plot). The function σ {\displaystyle \sigma } is a cost or loss function that measures the squared differences between ideal ( m {\displaystyle m} -dimensional) distances and actual distances in r-dimensional space. It is defined as: σ ( X ) = ∑ i < j ≤ n w i j ( d i j ( X ) − δ i j ) 2 {\displaystyle \sigma (X)=\sum _{i Read more →

  • Occam learning

    Occam learning

    In computational learning theory, Occam learning is a model of algorithmic learning where the objective of the learner is to output a succinct representation of received training data. This is closely related to probably approximately correct (PAC) learning, where the learner is evaluated on its predictive power of a test set. Occam learnability implies PAC learning, and for a wide variety of concept classes, the converse is also true: PAC learnability implies Occam learnability. == Introduction == Occam Learning is named after Occam's razor, which is a principle stating that, given all other things being equal, a shorter explanation for observed data should be favored over a lengthier explanation. The theory of Occam learning is a formal and mathematical justification for this principle. It was first shown by Blumer, et al. that Occam learning implies PAC learning, which is the standard model of learning in computational learning theory. In other words, parsimony (of the output hypothesis) implies predictive power. == Definition of Occam learning == The succinctness of a concept c {\displaystyle c} in concept class C {\displaystyle {\mathcal {C}}} can be expressed by the length s i z e ( c ) {\displaystyle size(c)} of the shortest bit string that can represent c {\displaystyle c} in C {\displaystyle {\mathcal {C}}} . Occam learning connects the succinctness of a learning algorithm's output to its predictive power on unseen data. Let C {\displaystyle {\mathcal {C}}} and H {\displaystyle {\mathcal {H}}} be concept classes containing target concepts and hypotheses respectively. Then, for constants α ≥ 0 {\displaystyle \alpha \geq 0} and 0 ≤ β < 1 {\displaystyle 0\leq \beta <1} , a learning algorithm L {\displaystyle L} is an ( α , β ) {\displaystyle (\alpha ,\beta )} -Occam algorithm for C {\displaystyle {\mathcal {C}}} using H {\displaystyle {\mathcal {H}}} iff, given a set S = { x 1 , … , x m } {\displaystyle S=\{x_{1},\dots ,x_{m}\}} of m {\displaystyle m} samples labeled according to a concept c ∈ C {\displaystyle c\in {\mathcal {C}}} , L {\displaystyle L} outputs a hypothesis h ∈ H {\displaystyle h\in {\mathcal {H}}} such that h {\displaystyle h} is consistent with c {\displaystyle c} on S {\displaystyle S} (that is, h ( x ) = c ( x ) , ∀ x ∈ S {\displaystyle h(x)=c(x),\forall x\in S} ), and s i z e ( h ) ≤ ( n ⋅ s i z e ( c ) ) α m β {\displaystyle size(h)\leq (n\cdot size(c))^{\alpha }m^{\beta }} where n {\displaystyle n} is the maximum length of any sample x ∈ S {\displaystyle x\in S} . An Occam algorithm is called efficient if it runs in time polynomial in n {\displaystyle n} , m {\displaystyle m} , and s i z e ( c ) . {\displaystyle size(c).} We say a concept class C {\displaystyle {\mathcal {C}}} is Occam learnable with respect to a hypothesis class H {\displaystyle {\mathcal {H}}} if there exists an efficient Occam algorithm for C {\displaystyle {\mathcal {C}}} using H . {\displaystyle {\mathcal {H}}.} == The relation between Occam and PAC learning == Occam learnability implies PAC learnability, as the following theorem of Blumer, et al. shows: === Theorem (Occam learning implies PAC learning) === Let L {\displaystyle L} be an efficient ( α , β ) {\displaystyle (\alpha ,\beta )} -Occam algorithm for C {\displaystyle {\mathcal {C}}} using H {\displaystyle {\mathcal {H}}} . Then there exists a constant a > 0 {\displaystyle a>0} such that for any 0 < ϵ , δ < 1 {\displaystyle 0<\epsilon ,\delta <1} , for any distribution D {\displaystyle {\mathcal {D}}} , given m ≥ a ( 1 ϵ log ⁡ 1 δ + ( ( n ⋅ s i z e ( c ) ) α ϵ ) 1 1 − β ) {\displaystyle m\geq a\left({\frac {1}{\epsilon }}\log {\frac {1}{\delta }}+\left({\frac {(n\cdot size(c))^{\alpha }}{\epsilon }}\right)^{\frac {1}{1-\beta }}\right)} samples drawn from D {\displaystyle {\mathcal {D}}} and labelled according to a concept c ∈ C {\displaystyle c\in {\mathcal {C}}} of length n {\displaystyle n} bits each, the algorithm L {\displaystyle L} will output a hypothesis h ∈ H {\displaystyle h\in {\mathcal {H}}} such that e r r o r ( h ) ≤ ϵ {\displaystyle error(h)\leq \epsilon } with probability at least 1 − δ {\displaystyle 1-\delta } .Here, e r r o r ( h ) {\displaystyle error(h)} is with respect to the concept c {\displaystyle c} and distribution D {\displaystyle {\mathcal {D}}} . This implies that the algorithm L {\displaystyle L} is also a PAC learner for the concept class C {\displaystyle {\mathcal {C}}} using hypothesis class H {\displaystyle {\mathcal {H}}} . A slightly more general formulation is as follows: === Theorem (Occam learning implies PAC learning, cardinality version) === Let 0 < ϵ , δ < 1 {\displaystyle 0<\epsilon ,\delta <1} . Let L {\displaystyle L} be an algorithm such that, given m {\displaystyle m} samples drawn from a fixed but unknown distribution D {\displaystyle {\mathcal {D}}} and labeled according to a concept c ∈ C {\displaystyle c\in {\mathcal {C}}} of length n {\displaystyle n} bits each, outputs a hypothesis h ∈ H n , m {\displaystyle h\in {\mathcal {H}}_{n,m}} that is consistent with the labeled samples. Then, there exists a constant b {\displaystyle b} such that if log ⁡ | H n , m | ≤ b ϵ m − log ⁡ 1 δ {\displaystyle \log |{\mathcal {H}}_{n,m}|\leq b\epsilon m-\log {\frac {1}{\delta }}} , then L {\displaystyle L} is guaranteed to output a hypothesis h ∈ H n , m {\displaystyle h\in {\mathcal {H}}_{n,m}} such that e r r o r ( h ) ≤ ϵ {\displaystyle error(h)\leq \epsilon } with probability at least 1 − δ {\displaystyle 1-\delta } . While the above theorems show that Occam learning is sufficient for PAC learning, it doesn't say anything about necessity. Board and Pitt show that, for a wide variety of concept classes, Occam learning is in fact necessary for PAC learning. They proved that for any concept class that is polynomially closed under exception lists, PAC learnability implies the existence of an Occam algorithm for that concept class. Concept classes that are polynomially closed under exception lists include Boolean formulas, circuits, deterministic finite automata, decision-lists, decision-trees, and other geometrically defined concept classes. A concept class C {\displaystyle {\mathcal {C}}} is polynomially closed under exception lists if there exists a polynomial-time algorithm A {\displaystyle A} such that, when given the representation of a concept c ∈ C {\displaystyle c\in {\mathcal {C}}} and a finite list E {\displaystyle E} of exceptions, outputs a representation of a concept c ′ ∈ C {\displaystyle c'\in {\mathcal {C}}} such that the concepts c {\displaystyle c} and c ′ {\displaystyle c'} agree except on the set E {\displaystyle E} . == Proof that Occam learning implies PAC learning == We first prove the Cardinality version. Call a hypothesis h ∈ H {\displaystyle h\in {\mathcal {H}}} bad if e r r o r ( h ) ≥ ϵ {\displaystyle error(h)\geq \epsilon } , where again e r r o r ( h ) {\displaystyle error(h)} is with respect to the true concept c {\displaystyle c} and the underlying distribution D {\displaystyle {\mathcal {D}}} . The probability that a set of samples S {\displaystyle S} is consistent with h {\displaystyle h} is at most ( 1 − ϵ ) m {\displaystyle (1-\epsilon )^{m}} , by the independence of the samples. By the union bound, the probability that there exists a bad hypothesis in H n , m {\displaystyle {\mathcal {H}}_{n,m}} is at most | H n , m | ( 1 − ϵ ) m {\displaystyle |{\mathcal {H}}_{n,m}|(1-\epsilon )^{m}} , which is less than δ {\displaystyle \delta } if log ⁡ | H n , m | ≤ O ( ϵ m ) − log ⁡ 1 δ {\displaystyle \log |{\mathcal {H}}_{n,m}|\leq O(\epsilon m)-\log {\frac {1}{\delta }}} . This concludes the proof of the second theorem above. Using the second theorem, we can prove the first theorem. Since we have a ( α , β ) {\displaystyle (\alpha ,\beta )} -Occam algorithm, this means that any hypothesis output by L {\displaystyle L} can be represented by at most ( n ⋅ s i z e ( c ) ) α m β {\displaystyle (n\cdot size(c))^{\alpha }m^{\beta }} bits, and thus log ⁡ | H n , m | ≤ ( n ⋅ s i z e ( c ) ) α m β {\displaystyle \log |{\mathcal {H}}_{n,m}|\leq (n\cdot size(c))^{\alpha }m^{\beta }} . This is less than O ( ϵ m ) − log ⁡ 1 δ {\displaystyle O(\epsilon m)-\log {\frac {1}{\delta }}} if we set m ≥ a ( 1 ϵ log ⁡ 1 δ + ( ( n ⋅ s i z e ( c ) ) α ) ϵ ) 1 1 − β ) {\displaystyle m\geq a\left({\frac {1}{\epsilon }}\log {\frac {1}{\delta }}+\left({\frac {(n\cdot size(c))^{\alpha })}{\epsilon }}\right)^{\frac {1}{1-\beta }}\right)} for some constant a > 0 {\displaystyle a>0} . Thus, by the Cardinality version Theorem, L {\displaystyle L} will output a consistent hypothesis h {\displaystyle h} with probability at least 1 − δ {\displaystyle 1-\delta } . This concludes the proof of the first theorem above. == Improving sample complexity for common problems == Though Occam and PAC learnability are equivalent, the Occam framework can be used to produce tighter bounds on the sample complexity of classical problems including conjunctions, co

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  • Domain adaptation

    Domain adaptation

    Domain adaptation is a field associated with machine learning and transfer learning. It addresses the challenge of training a model on one data distribution (the source domain) and applying it to a related but different data distribution (the target domain). A common example is spam filtering, where a model trained on emails from one user (source domain) is adapted to handle emails for another user with significantly different patterns (target domain). Domain adaptation techniques can also leverage unrelated data sources to improve learning. When multiple source distributions are involved, the problem extends to multi-source domain adaptation. Domain adaptation is a specific type of transfer learning. According to the taxonomy laid out by Pan and Yang (2010), it falls into the category of transductive transfer learning. In this setting, the source and target tasks are the same (e.g., both are object recognition), but the domains differ (different marginal distributions). This distinguishes it from inductive transfer learning (where labeled data is available for the target task) and unsupervised transfer learning (where labels are unavailable in both domains). == Classification of domain adaptation problems == Domain adaptation setups are classified in two different ways: according to the distribution shift between the domains, and according to the available data from the target domain. === Distribution shifts === Common distribution shifts are classified as follows: Covariate Shift occurs when the input distributions of the source and destination change, but the relationship between inputs and labels remains unchanged. The above-mentioned spam filtering example typically falls in this category. Namely, the distributions (patterns) of emails may differ between the domains, but emails labeled as spam in the one domain should similarly be labeled in another. Prior Shift (Label Shift) occurs when the label distribution differs between the source and target datasets, while the conditional distribution of features given labels remains the same. An example is a classifier of hair color in images from Italy (source domain) and Norway (target domain). The proportions of hair colors (labels) differ, but images within classes like blond and black-haired populations remain consistent across domains. A classifier for the Norway population can exploit this prior knowledge of class proportions to improve its estimates. Concept Shift (Conditional Shift) refers to changes in the relationship between features and labels, even if the input distribution remains the same. For instance, in medical diagnosis, the same symptoms (inputs) may indicate entirely different diseases (labels) in different populations (domains). === Data available during training === Domain adaptation problems typically assume that some data from the target domain is available during training. Problems can be classified according to the type of this available data: Unsupervised: Unlabeled data from the target domain is available, but no labeled data. In the above-mentioned example of spam filtering, this corresponds to the case where emails from the target domain (user) are available, but they are not labeled as spam. Domain adaptation methods can benefit from such unlabeled data, by comparing its distribution (patterns) with the labeled source domain data. Semi-supervised: Most data that is available from the target domain is unlabelled, but some labeled data is also available. In the above-mentioned case of spam filter design, this corresponds to the case that the target user has labeled some emails as being spam or not. Supervised: All data that is available from the target domain is labeled. In this case, domain adaptation reduces to refinement of the source domain predictor. In the above-mentioned example classification of hair-color from images, this could correspond to the refinement of a network already trained on a large dataset of labeled images from Italy, using newly available labeled images from Norway. == Formalization == Let X {\displaystyle X} be the input space (or description space) and let Y {\displaystyle Y} be the output space (or label space). The objective of a machine learning algorithm is to learn a mathematical model (a hypothesis) h : X → Y {\displaystyle h:X\to Y} able to attach a label from Y {\displaystyle Y} to an example from X {\displaystyle X} . This model is learned from a learning sample S = { ( x i , y i ) ∈ ( X × Y ) } i = 1 m {\displaystyle S=\{(x_{i},y_{i})\in (X\times Y)\}_{i=1}^{m}} . Usually in supervised learning (without domain adaptation), we suppose that the examples ( x i , y i ) ∈ S {\displaystyle (x_{i},y_{i})\in S} are drawn i.i.d. from a distribution D S {\displaystyle D_{S}} of support X × Y {\displaystyle X\times Y} (unknown and fixed). The objective is then to learn h {\displaystyle h} (from S {\displaystyle S} ) such that it commits the least error possible for labelling new examples coming from the distribution D S {\displaystyle D_{S}} . The main difference between supervised learning and domain adaptation is that in the latter situation we study two different (but related) distributions D S {\displaystyle D_{S}} and D T {\displaystyle D_{T}} on X × Y {\displaystyle X\times Y} . The domain adaptation task then consists of the transfer of knowledge from the source domain D S {\displaystyle D_{S}} to the target one D T {\displaystyle D_{T}} . The goal is then to learn h {\displaystyle h} (from labeled or unlabelled samples coming from the two domains) such that it commits as little error as possible on the target domain D T {\displaystyle D_{T}} . The major issue is the following: if a model is learned from a source domain, what is its capacity to correctly label data coming from the target domain? == Four algorithmic principles == === Reweighting algorithms === The objective is to reweight the source labeled sample such that it "looks like" the target sample (in terms of the error measure considered). === Iterative algorithms === A method for adapting consists in iteratively "auto-labeling" the target examples. The principle is simple: a model h {\displaystyle h} is learned from the labeled examples; h {\displaystyle h} automatically labels some target examples; a new model is learned from the new labeled examples. Note that there exist other iterative approaches, but they usually need target labeled examples. === Search of a common representation space === The goal is to find or construct a common representation space for the two domains. The objective is to obtain a space in which the domains are close to each other while keeping good performances on the source labeling task. This can be achieved through the use of Adversarial machine learning techniques where feature representations from samples in different domains are encouraged to be indistinguishable. === Hierarchical Bayesian Model === The goal is to construct a Bayesian hierarchical model p ( n ) {\displaystyle p(n)} , which is essentially a factorization model for counts n {\displaystyle n} , to derive domain-dependent latent representations allowing both domain-specific and globally shared latent factors. == Software packages == Several compilations of domain adaptation and transfer learning algorithms have been implemented over the past decades: SKADA (Python) ADAPT (Python) TLlib (Python) Domain-Adaptation-Toolbox (MATLAB)

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  • Information gain ratio

    Information gain ratio

    In decision tree learning, information gain ratio is a ratio of information gain to the intrinsic information. It was proposed by Ross Quinlan, to reduce a bias towards multi-valued attributes by taking the number and size of branches into account when choosing an attribute. Information gain is also known as mutual information. == Information gain calculation == Information gain is the reduction in entropy produced from partitioning a set with attributes a {\displaystyle a} and finding the optimal candidate that produces the highest value: IG ( T , a ) = H ( T ) − H ( T | a ) , {\displaystyle {\text{IG}}(T,a)=\mathrm {H} {(T)}-\mathrm {H} {(T|a)},} where T {\displaystyle T} is a random variable and H ( T | a ) {\displaystyle \mathrm {H} {(T|a)}} is the entropy of T {\displaystyle T} given the value of attribute a {\displaystyle a} . The information gain is equal to the total entropy for an attribute if for each of the attribute values a unique classification can be made for the result attribute. In this case the relative entropies subtracted from the total entropy are 0. == Split information calculation == The split information value for a test is defined as follows: SplitInformation ( X ) = − ∑ i = 1 n N ( x i ) N ( x ) ∗ log ⁡ 2 N ( x i ) N ( x ) {\displaystyle {\text{SplitInformation}}(X)=-\sum _{i=1}^{n}{{\frac {\mathrm {N} (x_{i})}{\mathrm {N} (x)}}\log {_{2}}{\frac {\mathrm {N} (x_{i})}{\mathrm {N} (x)}}}} where X {\displaystyle X} is a discrete random variable with possible values x 1 , x 2 , . . . , x i {\displaystyle {x_{1},x_{2},...,x_{i}}} and N ( x i ) {\displaystyle N(x_{i})} being the number of times that x i {\displaystyle x_{i}} occurs divided by the total count of events N ( x ) {\displaystyle N(x)} where x {\displaystyle x} is the set of events. The split information value is a positive number that describes the potential worth of splitting a branch from a node. This in turn is the intrinsic value that the random variable possesses and will be used to remove the bias in the information gain ratio calculation. == Information gain ratio calculation == The information gain ratio is the ratio between the information gain and the split information value: IGR ( T , a ) = IG ( T , a ) / SplitInformation ( T ) {\displaystyle {\text{IGR}}(T,a)={\text{IG}}(T,a)/{\text{SplitInformation}}(T)} IGR ( T , a ) = − ∑ i = 1 n P ( T ) log ⁡ P ( T ) − ( − ∑ i = 1 n P ( T | a ) log ⁡ P ( T | a ) ) − ∑ i = 1 n N ( t i ) N ( t ) ∗ log ⁡ 2 N ( t i ) N ( t ) {\displaystyle {\text{IGR}}(T,a)={\frac {-\sum _{i=1}^{n}{\mathrm {P} (T)\log \mathrm {P} (T)}-(-\sum _{i=1}^{n}{\mathrm {P} (T|a)\log \mathrm {P} (T|a)})}{-\sum _{i=1}^{n}{{\frac {\mathrm {N} (t_{i})}{\mathrm {N} (t)}}\log {_{2}}{\frac {\mathrm {N} (t_{i})}{\mathrm {N} (t)}}}}}} == Example == Using weather data published by Fordham University, the table was created below: Using the table above, one can find the entropy, information gain, split information, and information gain ratio for each variable (outlook, temperature, humidity, and wind). These calculations are shown in the tables below: Using the above tables, one can deduce that Outlook has the highest information gain ratio. Next, one must find the statistics for the sub-groups of the Outlook variable (sunny, overcast, and rainy), for this example one will only build the sunny branch (as shown in the table below): One can find the following statistics for the other variables (temperature, humidity, and wind) to see which have the greatest effect on the sunny element of the outlook variable: Humidity was found to have the highest information gain ratio. One will repeat the same steps as before and find the statistics for the events of the Humidity variable (high and normal): Since the play values are either all "No" or "Yes", the information gain ratio value will be equal to 1. Also, now that one has reached the end of the variable chain with Wind being the last variable left, they can build an entire root to leaf node branch line of a decision tree. Once finished with reaching this leaf node, one would follow the same procedure for the rest of the elements that have yet to be split in the decision tree. This set of data was relatively small, however, if a larger set was used, the advantages of using the information gain ratio as the splitting factor of a decision tree can be seen more. == Advantages == Information gain ratio biases the decision tree against considering attributes with a large number of distinct values. For example, suppose that we are building a decision tree for some data describing a business's customers. Information gain ratio is used to decide which of the attributes are the most relevant. These will be tested near the root of the tree. One of the input attributes might be the customer's telephone number. This attribute has a high information gain, because it uniquely identifies each customer. Due to its high amount of distinct values, this will not be chosen to be tested near the root. == Disadvantages == Although information gain ratio solves the key problem of information gain, it creates another problem. If one is considering an amount of attributes that have a high number of distinct values, these will never be above one that has a lower number of distinct values. == Difference from information gain == Information gain's shortcoming is created by not providing a numerical difference between attributes with high distinct values from those that have less. Example: Suppose that we are building a decision tree for some data describing a business's customers. Information gain is often used to decide which of the attributes are the most relevant, so they can be tested near the root of the tree. One of the input attributes might be the customer's credit card number. This attribute has a high information gain, because it uniquely identifies each customer, but we do not want to include it in the decision tree: deciding how to treat a customer based on their credit card number is unlikely to generalize to customers we haven't seen before. Information gain ratio's strength is that it has a bias towards the attributes with the lower number of distinct values. Below is a table describing the differences of information gain and information gain ratio when put in certain scenarios.

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  • List of datasets for machine-learning research

    List of datasets for machine-learning research

    These datasets are used in machine learning (ML) research and have been cited in peer-reviewed academic journals. Datasets are an integral part of the field of machine learning. Major advances in this field can result from advances in learning algorithms (such as deep learning), computer hardware, and, less intuitively, the availability of high-quality training datasets. High-quality labeled training datasets for supervised and semi-supervised machine-learning algorithms are usually difficult and expensive to produce because of the large amount of time needed to label the data. Although they do not need to be labeled, high-quality unlabeled datasets for unsupervised learning can also be difficult and costly to produce. Many organizations, including governments, publish and share their datasets, often using common metadata formats (such as Croissant). The datasets are classified, based on the licenses, into two groups: open data and non-open data. The datasets from various governmental-bodies are presented in List of open government data sites. The datasets are ported on open data portals. They are made available for searching, depositing and accessing through interfaces like Open API. The datasets are made available as various sorted types and subtypes. == List of sorting used for datasets == The data portal is classified based on its type of license. The open source license based data portals are known as open data portals which are used by many government organizations and academic institutions. == List of open data portals == == List of portals suitable for multiple types of applications == The data portal sometimes lists a wide variety of subtypes of datasets pertaining to many machine learning applications. == List of portals suitable for a specific subtype of applications == The data portals which are suitable for a specific subtype of machine learning application are listed in the subsequent sections. == Image data == == Text data == These datasets consist primarily of text for tasks such as natural language processing, sentiment analysis, translation, and cluster analysis. === Reviews === === News articles === === Messages === === Twitter and tweets === === Dialogues === === Legal === === Other text === == Sound data == These datasets consist of sounds and sound features used for tasks such as speech recognition and speech synthesis. === Speech === === Music === === Other sounds === == Signal data == Datasets containing electric signal information requiring some sort of signal processing for further analysis. === Electrical === === Motion-tracking === === Other signals === == Chemical data == Datasets from physical systems. === Chemical Reactions with transition states (TS) === === OpenReACT-CHON-EFH === OpenReACT-CHON-EFH (Open Reaction Dataset of Atomic ConfiguraTions comprising C, H, O and N with Energies, Forces and Hessians) is a 2025 open-access benchmark for machine-learning interatomic potentials. RTP set – 35,087 stationary-point geometries (reactant, transition state and product) drawn from 11,961 elementary reactions, each labeled with density-functional energies, atomic forces and full Hessian matrices at the ωB97X-D/6-31G(d) level. IRC set – 34,248 structures along 600 minimum-energy reaction paths, used to test extrapolation beyond trained stationary points. NMS set – 62,527 off-equilibrium geometries generated by normal-mode sampling to probe model robustness under thermal perturbations. The collection underpins the study Does Hessian Data Improve the Performance of Machine Learning Potentials? and was used to train and benchmark the machine-learning interatomic potentials reported therein. The dataset itself is distributed under a CC licence via Figshare. == Physical data == Datasets from physical systems. === High-energy physics === === Systems === === Astronomy === === Earth science === === Other physical === == Biological data == Datasets from biological systems. === Human === === Animal === === Fungi === === Plant === === Microbe === === Drug discovery === == Anomaly data == == Question answering data == This section includes datasets that deals with structured data. == Dialog or instruction prompted data == This section includes datasets that contains multi-turn text with at least two actors, a "user" and an "agent". The user makes requests for the agent, which performs the request. == Cybersecurity == == Climate and sustainability == == Code data == == Multivariate data == === Financial === === Weather === === Census === === Transit === === Internet === === Games === === Other multivariate === == Curated repositories of datasets == As datasets come in myriad formats and can sometimes be difficult to use, there has been considerable work put into curating and standardizing the format of datasets to make them easier to use for machine learning research. OpenML: Web platform with Python, R, Java, and other APIs for downloading hundreds of machine learning datasets, evaluating algorithms on datasets, and benchmarking algorithm performance against dozens of other algorithms. PMLB: A large, curated repository of benchmark datasets for evaluating supervised machine learning algorithms. Provides classification and regression datasets in a standardized format that are accessible through a Python API. Metatext NLP: https://metatext.io/datasets web repository maintained by community, containing nearly 1000 benchmark datasets, and counting. Provides many tasks from classification to QA, and various languages from English, Portuguese to Arabic. Appen: Off The Shelf and Open Source Datasets hosted and maintained by the company. These biological, image, physical, question answering, signal, sound, text, and video resources number over 250 and can be applied to over 25 different use cases.

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  • Principal component analysis

    Principal component analysis

    Principal component analysis (PCA) is a linear dimensionality reduction technique with applications in exploratory data analysis, visualization and data preprocessing. The data are linearly transformed onto a new coordinate system such that the directions (principal components) capturing the largest variation in the data can be easily identified. The principal components of a collection of points in a real coordinate space are a sequence of p {\displaystyle p} unit vectors, where the i {\displaystyle i} -th vector is the direction of a line that best fits the data while being orthogonal to the first i − 1 {\displaystyle i-1} vectors. Here, a best-fitting line is defined as one that minimizes the average squared perpendicular distance from the points to the line. These directions (i.e., principal components) constitute an orthonormal basis in which different individual dimensions of the data are linearly uncorrelated. Many studies use the first two principal components in order to plot the data in two dimensions and to visually identify clusters of closely related data points. Principal component analysis has applications in many fields such as population genetics, microbiome studies, and atmospheric science. == Overview == When performing PCA, the first principal component of a set of p {\displaystyle p} variables is the derived variable formed as a linear combination of the original variables that explains the most variance. The second principal component explains the most variance in what is left once the effect of the first component is removed, and we may proceed through p {\displaystyle p} iterations until all the variance is explained. PCA is most commonly used when many of the variables are highly correlated with each other and it is desirable to reduce their number to an independent set. The first principal component can equivalently be defined as a direction that maximizes the variance of the projected data. The i {\displaystyle i} -th principal component can be taken as a direction orthogonal to the first i − 1 {\displaystyle i-1} principal components that maximizes the variance of the projected data. For either objective, it can be shown that the principal components are eigenvectors of the data's covariance matrix. Thus, the principal components are often computed by eigendecomposition of the data covariance matrix or singular value decomposition of the data matrix. PCA is the simplest of the true eigenvector-based multivariate analyses and is closely related to factor analysis. Factor analysis typically incorporates more domain-specific assumptions about the underlying structure and solves eigenvectors of a slightly different matrix. PCA is also related to canonical correlation analysis (CCA). CCA defines coordinate systems that optimally describe the cross-covariance between two datasets while PCA defines a new orthogonal coordinate system that optimally describes variance in a single dataset. Robust and L1-norm-based variants of standard PCA have also been proposed. == History == PCA was invented in 1901 by Karl Pearson, as an analogue of the principal axis theorem in mechanics; it was later independently developed and named by Harold Hotelling in the 1930s. Depending on the field of application, it is also named the discrete Karhunen–Loève transform (KLT) in signal processing, the Hotelling transform in multivariate quality control, proper orthogonal decomposition (POD) in mechanical engineering, singular value decomposition (SVD) of X (invented in the last quarter of the 19th century), eigenvalue decomposition (EVD) of XTX in linear algebra, factor analysis (for a discussion of the differences between PCA and factor analysis see Ch. 7 of Jolliffe's Principal Component Analysis), Eckart–Young theorem (Harman, 1960), or empirical orthogonal functions (EOF) in meteorological science (Lorenz, 1956), empirical eigenfunction decomposition (Sirovich, 1987), quasiharmonic modes (Brooks et al., 1988), spectral decomposition in noise and vibration, and empirical modal analysis in structural dynamics. == Intuition == PCA can be thought of as fitting a p-dimensional ellipsoid to the data, where each axis of the ellipsoid represents a principal component. If some axis of the ellipsoid is small, then the variance along that axis is also small. To find the axes of the ellipsoid, we must first center the values of each variable in the dataset on 0 by subtracting the mean of the variable's observed values from each of those values. These transformed values are used instead of the original observed values for each of the variables. Then, we compute the covariance matrix of the data and calculate the eigenvalues and corresponding eigenvectors of this covariance matrix. Then we must normalize each of the orthogonal eigenvectors to turn them into unit vectors. Once this is done, each of the mutually-orthogonal unit eigenvectors can be interpreted as an axis of the ellipsoid fitted to the data. This choice of basis will transform the covariance matrix into a diagonalized form, in which the diagonal elements represent the variance of each axis. The proportion of the variance that each eigenvector represents can be calculated by dividing the eigenvalue corresponding to that eigenvector by the sum of all eigenvalues. Biplots and scree plots (degree of explained variance) are used to interpret findings of the PCA. == Details == PCA is defined as an orthogonal linear transformation on a real inner product space that transforms the data to a new coordinate system such that the greatest variance by some scalar projection of the data comes to lie on the first coordinate (called the first principal component), the second greatest variance on the second coordinate, and so on. Consider an n × p {\displaystyle n\times p} data matrix, X, with column-wise zero empirical mean (the sample mean of each column has been shifted to zero), where each of the n rows represents a different repetition of the experiment, and each of the p columns gives a particular kind of feature (say, the results from a particular sensor). Mathematically, the transformation is defined by a set of size l {\displaystyle l} (where l {\displaystyle l} is usually selected to be strictly less than p {\displaystyle p} to reduce dimensionality) of p {\displaystyle p} -dimensional vectors of weights or coefficients w ( k ) = ( w 1 , … , w p ) ( k ) {\displaystyle \mathbf {w} _{(k)}=(w_{1},\dots ,w_{p})_{(k)}} that map each row vector x ( i ) = ( x 1 , … , x p ) ( i ) {\displaystyle \mathbf {x} _{(i)}=(x_{1},\dots ,x_{p})_{(i)}} of X to a new vector of principal component scores t ( i ) = ( t 1 , … , t l ) ( i ) {\displaystyle \mathbf {t} _{(i)}=(t_{1},\dots ,t_{l})_{(i)}} , given by t k ( i ) = x ( i ) ⋅ w ( k ) f o r i = 1 , … , n k = 1 , … , l {\displaystyle {t_{k}}_{(i)}=\mathbf {x} _{(i)}\cdot \mathbf {w} _{(k)}\qquad \mathrm {for} \qquad i=1,\dots ,n\qquad k=1,\dots ,l} in such a way that the individual variables t 1 , … , t l {\displaystyle t_{1},\dots ,t_{l}} of t considered over the data set successively inherit the maximum possible variance from X, with each coefficient vector w constrained to be a unit vector. The above may equivalently be written in matrix form as T = X W {\displaystyle \mathbf {T} =\mathbf {X} \mathbf {W} } where T i k = t k ( i ) {\displaystyle {\mathbf {T} }_{ik}={t_{k}}_{(i)}} , X i j = x j ( i ) {\displaystyle {\mathbf {X} }_{ij}={x_{j}}_{(i)}} , and W j k = w j ( k ) {\displaystyle {\mathbf {W} }_{jk}={w_{j}}_{(k)}} . === First component === In order to maximize variance, the first weight vector w(1) thus has to satisfy w ( 1 ) = arg ⁡ max ‖ w ‖ = 1 { ∑ i ( t 1 ) ( i ) 2 } = arg ⁡ max ‖ w ‖ = 1 { ∑ i ( x ( i ) ⋅ w ) 2 } {\displaystyle \mathbf {w} _{(1)}=\arg \max _{\Vert \mathbf {w} \Vert =1}\,\left\{\sum _{i}(t_{1})_{(i)}^{2}\right\}=\arg \max _{\Vert \mathbf {w} \Vert =1}\,\left\{\sum _{i}\left(\mathbf {x} _{(i)}\cdot \mathbf {w} \right)^{2}\right\}} Equivalently, writing this in matrix form gives w ( 1 ) = arg ⁡ max ‖ w ‖ = 1 { ‖ X w ‖ 2 } = arg ⁡ max ‖ w ‖ = 1 { w T X T X w } {\displaystyle \mathbf {w} _{(1)}=\arg \max _{\left\|\mathbf {w} \right\|=1}\left\{\left\|\mathbf {Xw} \right\|^{2}\right\}=\arg \max _{\left\|\mathbf {w} \right\|=1}\left\{\mathbf {w} ^{\mathsf {T}}\mathbf {X} ^{\mathsf {T}}\mathbf {Xw} \right\}} Since w(1) has been defined to be a unit vector, it equivalently also satisfies w ( 1 ) = arg ⁡ max { w T X T X w w T w } {\displaystyle \mathbf {w} _{(1)}=\arg \max \left\{{\frac {\mathbf {w} ^{\mathsf {T}}\mathbf {X} ^{\mathsf {T}}\mathbf {Xw} }{\mathbf {w} ^{\mathsf {T}}\mathbf {w} }}\right\}} The quantity to be maximised can be recognised as a Rayleigh quotient. A standard result for a positive semidefinite matrix such as XTX is that the quotient's maximum possible value is the largest eigenvalue of the matrix, which occurs when w is the corresponding eigenvector. With w(1) found, the first principal component of a data vector

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  • Cloud management

    Cloud management

    Cloud management refers to the administration and oversight of cloud computing products and services. Public clouds are managed by cloud service providers, which operate the underlying infrastructure such as servers, storage, networking, and data center facilities. Users may also opt to manage their public cloud services with a third-party cloud management tool. Users of public cloud services can generally select from three basic cloud provisioning categories: User self-provisioning: Customers purchase cloud services directly from the provider, typically through a web form or console interface. The customer pays on a per-transaction basis. Advanced provisioning: Customers contract in advance a predetermined amount of resources, which are prepared in advance of service. The customer pays a flat fee or a monthly fee. Dynamic provisioning: The provider allocates resources when the customer needs them, then decommissions them when they are no longer needed. The customer is charged on a pay-per-use basis. Managing a private cloud requires software tools to help create a virtualized pool of compute resources, provide a self-service portal for end users and handle security, resource allocation, tracking and billing. Management tools for private clouds tend to be service driven, as opposed to resource driven, because cloud environments are typically highly virtualized and organized in terms of portable workloads. In hybrid cloud environments, compute, network and storage resources must be managed across multiple domains, so a good management strategy should start by defining what needs to be managed, and where and how to do it. Policies to help govern these domains should include configuration and installation of images, access control, and budgeting and reporting. Access control often includes the use of Single sign-on (SSO), in which a user logs in once and gains access to all systems without being prompted to log in again at each of them. == Characteristics of Cloud Management == Cloud management combines software and technologies in a design for managing cloud environments. Software developers have responded to the management challenges of cloud computing with a variety of cloud management platforms and tools. These tools include native tools offered by public cloud providers as well as third-party tools designed to provide consistent functionality across multiple cloud providers. Administrators must balance the competing requirements of efficient consistency across different cloud platforms with access to different native functionality within individual cloud platforms. The growing acceptance of public cloud and increased multicloud usage is driving the need for consistent cross-platform management. Rapid adoption of cloud services is introducing a new set of management challenges for those technical professionals responsible for managing IT systems and services. Cloud-management platforms and tools should have the ability to provide minimum functionality in the following categories. Functionality can be both natively provided or orchestrated via third-party integration. Provisioning and orchestration: create, modify, and delete resources as well as orchestrate workflows and management of workloads Automation: Enable cloud consumption and deployment of app services via infrastructure-as-code and other DevOps concepts Security and compliance: manage role-based access of cloud services and enforce security configurations Service request: collect and fulfill requests from users to access and deploy cloud resources. Monitoring and logging: collect performance and availability metrics as well as automate incident management and log aggregation Inventory and classification: discover and maintain pre-existing brownfield cloud resources plus monitor and manage changes Cost management and optimization: track and rightsize cloud spend and align capacity and performance to actual demand Migration, backup, and DR: enable data protection, disaster recovery, and data mobility via snapshots and/or data replication Organizations may group these criteria into key use cases including Cloud Brokerage, DevOps Automation, Governance, and Day-2 Life Cycle Operations. Enterprises with large-scale cloud implementations may require more robust cloud management tools which include specific characteristics, such as the ability to manage multiple platforms from a single point of reference, or intelligent analytics to automate processes like application lifecycle management. High-end cloud management tools should also have the ability to handle system failures automatically with capabilities such as self-monitoring, an explicit notification mechanism, and include failover and self-healing capabilities. == Multi-Cloud and Hybrid Cloud Management Challenges == Legacy management infrastructures, which are based on the concept of dedicated system relationships and architecture constructs, are not well suited to cloud environments where instances are continually launched and decommissioned. Instead, the dynamic nature of cloud computing requires monitoring and management tools that are adaptable, extensible and customizable. Cloud computing presents a number of management challenges. Companies using public clouds do not have ownership of the equipment hosting the cloud environment, and because the environment is not contained within their own networks, public cloud customers do not have full visibility or control. Users of public cloud services must also integrate with an architecture defined by the cloud provider, using its specific parameters for working with cloud components. Integration includes tying into the cloud APIs for configuring IP addresses, subnets, firewalls and data service functions for storage. Because control of these functions is based on the cloud provider’s infrastructure and services, public cloud users must integrate with the cloud infrastructure management. Capacity management is a challenge for both public and private cloud environments because end users have the ability to deploy applications using self-service portals. Applications of all sizes may appear in the environment, consume an unpredictable amount of resources, then disappear at any time. A possible solution is profiling the applications impact on computational resources. As result, the performance models allow the prediction of how resource utilization changes according to application patterns. Thus, resources can be dynamically scaled to meet the expected demand. This is critical to cloud providers that need to provision resources quickly to meet a growing demand by their applications. Charge-back—or, pricing resource use on a granular basis—is a challenge for both public and private cloud environments. Charge-back is a challenge for public cloud service providers because they must price their services competitively while still creating profit. Users of public cloud services may find charge-back challenging because it is difficult for IT groups to assess actual resource costs on a granular basis due to overlapping resources within an organization that may be paid for by an individual business unit, such as electrical power. For private cloud operators, charge-back is fairly straightforward, but the challenge lies in guessing how to allocate resources as closely as possible to actual resource usage to achieve the greatest operational efficiency. Exceeding budgets can be a risk. Hybrid cloud environments, which combine public and private cloud services, sometimes with traditional infrastructure elements, present their own set of management challenges. These include security concerns if sensitive data lands on public cloud servers, budget concerns around overuse of storage or bandwidth and proliferation of mismanaged images. Managing the information flow in a hybrid cloud environment is also a significant challenge. On-premises clouds must share information with applications hosted off-premises by public cloud providers, and this information may change constantly. Hybrid cloud environments also typically include a complex mix of policies, permissions and limits that must be managed consistently across both public and private clouds. == Cloud Management Platforms (CMP) == CMPs provide a means for a cloud service customer to manage the deployment and operation of applications and associated datasets across multiple cloud service infrastructures, including both on-premises cloud infrastructure and public cloud service provider infrastructure. In other words, CMPs provide management capabilities for hybrid cloud and multi-cloud environments. A cloud management platform (CMP) provides broad cloud management functionality atop both public cloud provider platforms and private cloud platforms. CMPs manage cloud services and resources that are distributed across multiple cloud platforms. The value of CMPs stands in delivering the maximum level of consistency between platforms without comp

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  • Averaged one-dependence estimators

    Averaged one-dependence estimators

    Averaged one-dependence estimators (AODE) is a probabilistic classification learning technique. It was developed to address the attribute-independence problem of the popular naive Bayes classifier. It frequently develops substantially more accurate classifiers than naive Bayes at the cost of a modest increase in the amount of computation. == The AODE classifier == AODE seeks to estimate the probability of each class y given a specified set of features x1, ... xn, P(y | x1, ... xn). To do so it uses the formula P ^ ( y ∣ x 1 , … x n ) = ∑ i : 1 ≤ i ≤ n ∧ F ( x i ) ≥ m P ^ ( y , x i ) ∏ j = 1 n P ^ ( x j ∣ y , x i ) ∑ y ′ ∈ Y ∑ i : 1 ≤ i ≤ n ∧ F ( x i ) ≥ m P ^ ( y ′ , x i ) ∏ j = 1 n P ^ ( x j ∣ y ′ , x i ) {\displaystyle {\hat {P}}(y\mid x_{1},\ldots x_{n})={\frac {\sum _{i:1\leq i\leq n\wedge F(x_{i})\geq m}{\hat {P}}(y,x_{i})\prod _{j=1}^{n}{\hat {P}}(x_{j}\mid y,x_{i})}{\sum _{y^{\prime }\in Y}\sum _{i:1\leq i\leq n\wedge F(x_{i})\geq m}{\hat {P}}(y^{\prime },x_{i})\prod _{j=1}^{n}{\hat {P}}(x_{j}\mid y^{\prime },x_{i})}}} where P ^ ( ⋅ ) {\displaystyle {\hat {P}}(\cdot )} denotes an estimate of P ( ⋅ ) {\displaystyle P(\cdot )} , F ( ⋅ ) {\displaystyle F(\cdot )} is the frequency with which the argument appears in the sample data and m is a user specified minimum frequency with which a term must appear in order to be used in the outer summation. In recent practice m is usually set at 1. == Derivation of the AODE classifier == We seek to estimate P(y | x1, ... xn). By the definition of conditional probability P ( y ∣ x 1 , … x n ) = P ( y , x 1 , … x n ) P ( x 1 , … x n ) . {\displaystyle P(y\mid x_{1},\ldots x_{n})={\frac {P(y,x_{1},\ldots x_{n})}{P(x_{1},\ldots x_{n})}}.} For any 1 ≤ i ≤ n {\displaystyle 1\leq i\leq n} , P ( y , x 1 , … x n ) = P ( y , x i ) P ( x 1 , … x n ∣ y , x i ) . {\displaystyle P(y,x_{1},\ldots x_{n})=P(y,x_{i})P(x_{1},\ldots x_{n}\mid y,x_{i}).} Under an assumption that x1, ... xn are independent given y and xi, it follows that P ( y , x 1 , … x n ) = P ( y , x i ) ∏ j = 1 n P ( x j ∣ y , x i ) . {\displaystyle P(y,x_{1},\ldots x_{n})=P(y,x_{i})\prod _{j=1}^{n}P(x_{j}\mid y,x_{i}).} This formula defines a special form of One Dependence Estimator (ODE), a variant of the naive Bayes classifier that makes the above independence assumption that is weaker (and hence potentially less harmful) than the naive Bayes' independence assumption. In consequence, each ODE should create a less biased estimator than naive Bayes. However, because the base probability estimates are each conditioned by two variables rather than one, they are formed from less data (the training examples that satisfy both variables) and hence are likely to have more variance. AODE reduces this variance by averaging the estimates of all such ODEs. == Features of the AODE classifier == Like naive Bayes, AODE does not perform model selection and does not use tuneable parameters. As a result, it has low variance. It supports incremental learning whereby the classifier can be updated efficiently with information from new examples as they become available. It predicts class probabilities rather than simply predicting a single class, allowing the user to determine the confidence with which each classification can be made. Its probabilistic model can directly handle situations where some data are missing. AODE has computational complexity O ( l n 2 ) {\displaystyle O(ln^{2})} at training time and O ( k n 2 ) {\displaystyle O(kn^{2})} at classification time, where n is the number of features, l is the number of training examples and k is the number of classes. This makes it infeasible for application to high-dimensional data. However, within that limitation, it is linear with respect to the number of training examples and hence can efficiently process large numbers of training examples. == Implementations == The free Weka machine learning suite includes an implementation of AODE.

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  • Sum of absolute differences

    Sum of absolute differences

    In digital image processing, the sum of absolute differences (SAD) is a measure of the similarity between image blocks. It is calculated by taking the absolute difference between each pixel in the original block and the corresponding pixel in the block being used for comparison. These differences are summed to create a simple metric of block similarity, the L1 norm of the difference image or Manhattan distance between two image blocks. The sum of absolute differences may be used for a variety of purposes, such as object recognition, the generation of disparity maps for stereo images, and motion estimation for video compression. == Example == This example uses the sum of absolute differences to identify which part of a search image is most similar to a template image. In this example, the template image is 3 by 3 pixels in size, while the search image is 3 by 5 pixels in size. Each pixel is represented by a single integer from 0 to 9. Template Search image 2 5 5 2 7 5 8 6 4 0 7 1 7 4 2 7 7 5 9 8 4 6 8 5 There are exactly three unique locations within the search image where the template may fit: the left side of the image, the center of the image, and the right side of the image. To calculate the SAD values, the absolute value of the difference between each corresponding pair of pixels is used: the difference between 2 and 2 is 0, 4 and 1 is 3, 7 and 8 is 1, and so forth. Calculating the values of the absolute differences for each pixel, for the three possible template locations, gives the following: Left Center Right 0 2 0 5 0 3 3 3 1 3 7 3 3 4 5 0 2 0 1 1 3 3 1 1 1 3 4 For each of these three image patches, the 9 absolute differences are added together, giving SAD values of 20, 25, and 17, respectively. From these SAD values, it could be asserted that the right side of the search image is the most similar to the template image, because it has the lowest sum of absolute differences as compared to the other two locations. == Comparison to other metrics == === Object recognition === The sum of absolute differences provides a simple way to automate the searching for objects inside an image, but may be unreliable due to the effects of contextual factors such as changes in lighting, color, viewing direction, size, or shape. The SAD may be used in conjunction with other object recognition methods, such as edge detection, to improve the reliability of results. === Video compression === SAD is an extremely fast metric due to its simplicity; it is effectively the simplest possible metric that takes into account every pixel in a block. Therefore, it is very effective for a wide motion search of many different blocks. SAD is also easily parallelizable since it analyzes each pixel separately, making it easily implementable with such instructions as ARM NEON or x86 SSE2. For example, SSE has packed sum of absolute differences instruction (PSADBW) specifically for this purpose. Once candidate blocks are found, the final refinement of the motion estimation process is often done with other slower but more accurate metrics, which better take into account human perception. These include the sum of absolute transformed differences (SATD), the sum of squared differences (SSD), and rate–distortion optimization.

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  • Random indexing

    Random indexing

    Random indexing is a dimensionality reduction method and computational framework for distributional semantics, based on the insight that very-high-dimensional vector space model implementations are impractical, that models need not grow in dimensionality when new items (e.g. new terminology) are encountered, and that a high-dimensional model can be projected into a space of lower dimensionality without compromising L2 distance metrics if the resulting dimensions are chosen appropriately. This is the original point of the random projection approach to dimension reduction first formulated as the Johnson–Lindenstrauss lemma, and locality-sensitive hashing has some of the same starting points. Random indexing, as used in representation of language, originates from the work of Pentti Kanerva on sparse distributed memory, and can be described as an incremental formulation of a random projection. It can be also verified that random indexing is a random projection technique for the construction of Euclidean spaces—i.e. L2 normed vector spaces. In Euclidean spaces, random projections are elucidated using the Johnson–Lindenstrauss lemma. The TopSig technique extends the random indexing model to produce bit vectors for comparison with the Hamming distance similarity function. It is used for improving the performance of information retrieval and document clustering. In a similar line of research, Random Manhattan Integer Indexing (RMII) is proposed for improving the performance of the methods that employ the Manhattan distance between text units. Many random indexing methods primarily generate similarity from co-occurrence of items in a corpus. Reflexive Random Indexing (RRI) generates similarity from co-occurrence and from shared occurrence with other items.

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  • Key frame

    Key frame

    In animation and filmmaking, a key frame (or keyframe) is a drawing or shot that defines the starting and ending points of a smooth transition. These are called frames because their position in time is measured in frames on a strip of film or on a digital video editing timeline. A sequence of key frames defines which movement the viewer will see, whereas the position of the key frames on the film, video, or animation defines the timing of the movement. Because only two or three key frames over the span of a second do not create the illusion of movement, the remaining frames are filled with "inbetweens". == Use of key frames as a means to change parameters == In software packages that support animation, especially 3D graphics, there are many parameters that can be changed for any one object. One example of such an object is a light. In 3D graphics, lights function similarly to real-world lights. They cause illumination, cast shadows, and create specular highlights. Lights have many parameters, including light intensity, beam size, light color, and the texture cast by the light. Supposing that an animator wants the beam size to change smoothly from one value to another within a predefined period of time, that could be achieved by using key frames. At the start of the animation, a beam size value is set. Another value is set for the end of the animation. Thus, the software program automatically interpolates the two values, creating a smooth transition. == Video editing == In non-linear digital video editing, as well as in video compositing software, a key frame is a frame used to indicate the beginning or end of a change made to a parameter. For example, a key frame could be set to indicate the point at which audio will have faded up or down to a certain level. == Video compression == In video compression, a key frame, also known as an intra-frame, is a frame in which a complete image is stored in the data stream. In video compression, only changes that occur from one frame to the next are stored in the data stream, in order to greatly reduce the amount of information that must be stored. This technique capitalizes on the fact that most video sources (such as a typical movie) have only small changes in the image from one frame to the next. Whenever a drastic change to the image occurs, such as when switching from one camera shot to another or at a scene change, a key frame must be created. The entire image for the frame must be output when the visual difference between the two frames is so great that representing the new image incrementally from the previous frame would require more data than recreating the whole image. Because video compression only stores incremental changes between frames (except for key frames), it is not possible to fast-forward or rewind to any arbitrary spot in the video stream. That is because the data for a given frame only represents how that frame was different from the preceding one. For that reason, it is beneficial to include key frames at arbitrary intervals while encoding video. For example, a key frame may be output once for each 10 seconds of video, even though the video image does not change enough visually to warrant the automatic creation of the key frame. That would allow seeking within the video stream at a minimum of 10-second intervals. The downside is that the resulting video stream will be larger in disk size because many key frames are added when they are not necessary for the frame's visual representation. This drawback, however, does not produce significant compression loss when the bitrate is already set at a high value for better quality (as in the DVD MPEG-2 format).

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  • Rule-based machine learning

    Rule-based machine learning

    Rule-based machine learning (RBML) is a term in computer science intended to encompass any machine learning method that identifies, learns, or evolves 'rules' to store, manipulate or apply. The defining characteristic of a rule-based machine learner is the identification and utilization of a set of relational rules that collectively represent the knowledge captured by the system. Rule-based machine learning approaches include learning classifier systems, association rule learning, artificial immune systems, and any other method that relies on a set of rules, each covering contextual knowledge. While rule-based machine learning is conceptually a type of rule-based system, it is distinct from traditional rule-based systems, which are often hand-crafted, and other rule-based decision makers. This is because rule-based machine learning applies some form of learning algorithm such as Rough sets theory to identify and minimise the set of features and to automatically identify useful rules, rather than a human needing to apply prior domain knowledge to manually construct rules and curate a rule set. == Rules == Rules typically take the form of an '{IF:THEN} expression', (e.g. {IF 'condition' THEN 'result'}, or as a more specific example, {IF 'red' AND 'octagon' THEN 'stop-sign}). An individual rule is not in itself a model, since the rule is only applicable when its condition is satisfied. Therefore rule-based machine learning methods typically comprise a set of rules, or knowledge base, that collectively make up the prediction model usually known as decision algorithm. Rules can also be interpreted in various ways depending on the domain knowledge, data types(discrete or continuous) and in combinations. == RIPPER == Repeated incremental pruning to produce error reduction (RIPPER) is a propositional rule learner proposed by William W. Cohen as an optimized version of IREP.

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  • ARKA descriptors in QSAR

    ARKA descriptors in QSAR

    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.

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