Discovery system (artificial intelligence)

Discovery system (artificial intelligence)

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to suggest that the traditional aim of science - to uncover hypotheses and theories about the structure of reality - is obsolete.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

U-Net

U-Net is a convolutional neural network that was developed for image segmentation. The network is based on a fully convolutional neural network whose architecture was modified and extended to work with fewer training images and to yield more precise segmentation. Segmentation of a 512 × 512 image takes less than a second on a modern (2015) GPU using the U-Net architecture. The U-Net architecture has also been employed in diffusion models for iterative image denoising. This technology underlies many modern image generation models, such as DALL-E, Midjourney, and Stable Diffusion. U-Net is also being explored for language models. Tokenization is not a separate step, allowing the model to more easily understand spelling and concurrently vectorizing / tokenizing higher level concepts. == Description == The U-Net architecture stems from the so-called "fully convolutional network". The main idea is to supplement a usual contracting network by successive layers, where pooling operations are replaced by upsampling operators. Hence these layers increase the resolution of the output. A successive convolutional layer can then learn to assemble a precise output based on this information. One important modification in U-Net is that there are a large number of feature channels in the upsampling part, which allow the network to propagate context information to higher resolution layers. As a consequence, the expansive path is more or less symmetric to the contracting part, and yields a u-shaped architecture. The network only uses the valid part of each convolution without any fully connected layers. To predict the pixels in the border region of the image, the missing context is extrapolated by mirroring the input image. This tiling strategy is important to apply the network to large images, since otherwise the resolution would be limited by the GPU memory. Recently, there had also been an interest in receptive field based U-Net models for medical image segmentation. == Network architecture == The network consists of a contracting path and an expansive path, which gives it the u-shaped architecture. The contracting path is a typical convolutional network that consists of repeated application of convolutions, each followed by a rectified linear unit (ReLU) and a max pooling operation. During the contraction, the spatial information is reduced while feature information is increased. The expansive pathway combines the feature and spatial information through a sequence of up-convolutions and concatenations with high-resolution features from the contracting path. == Applications == There are many applications of U-Net in biomedical image segmentation, such as brain image segmentation (''BRATS'') and liver image segmentation ("siliver07") as well as protein binding site prediction. U-Net implementations have also found use in the physical sciences, for example in the analysis of micrographs of materials. Variations of the U-Net have also been applied for medical image reconstruction. Here are some variants and applications of U-Net as follows: Pixel-wise regression using U-Net and its application on pansharpening; 3D U-Net: Learning Dense Volumetric Segmentation from Sparse Annotation; TernausNet: U-Net with VGG11 Encoder Pre-Trained on ImageNet for Image Segmentation. Image-to-image translation to estimate fluorescent stains In binding site prediction of protein structure. == History == U-Net was created by Olaf Ronneberger, Philipp Fischer, Thomas Brox in 2015 and reported in the paper "U-Net: Convolutional Networks for Biomedical Image Segmentation". It is an improvement and development of FCN: Evan Shelhamer, Jonathan Long, Trevor Darrell (2014). "Fully convolutional networks for semantic segmentation".

Tensor product network

A tensor product network, in artificial neural networks, is a network that exploits the properties of tensors to model associative concepts such as variable assignment. Orthonormal vectors are chosen to model the ideas (such as variable names and target assignments), and the tensor product of these vectors construct a network whose mathematical properties allow the user to easily extract the association from it.

Logic learning machine

Logic learning machine (LLM) is a machine learning method based on the generation of intelligible rules. LLM is an efficient implementation of the Switching Neural Network (SNN) paradigm, developed by Marco Muselli, Senior Researcher at the Italian National Research Council CNR-IEIIT in Genoa. LLM has been employed in many different sectors, including the field of medicine (orthopedic patient classification, DNA micro-array analysis and Clinical Decision Support Systems), financial services and supply chain management. == History == The Switching Neural Network approach was developed in the 1990s to overcome the drawbacks of the most commonly used machine learning methods. In particular, black box methods, such as multilayer perceptron and support vector machine, had good accuracy but could not provide deep insight into the studied phenomenon. On the other hand, decision trees were able to describe the phenomenon but often lacked accuracy. Switching Neural Networks made use of Boolean algebra to build sets of intelligible rules able to obtain very good performance. In 2014, an efficient version of Switching Neural Network was developed and implemented in the Rulex suite with the name Logic Learning Machine. Also, an LLM version devoted to regression problems was developed. == General == Like other machine learning methods, LLM uses data to build a model able to perform a good forecast about future behaviors. LLM starts from a table including a target variable (output) and some inputs and generates a set of rules that return the output value y {\displaystyle y} corresponding to a given configuration of inputs. A rule is written in the form: if premise then consequence where consequence contains the output value whereas premise includes one or more conditions on the inputs. According to the input type, conditions can have different forms: for categorical variables the input value must be in a given subset: x 1 ∈ { A , B , C , . . . } {\displaystyle x_{1}\in \{A,B,C,...\}} . for ordered variables the condition is written as an inequality or an interval: x 2 ≤ α {\displaystyle x_{2}\leq \alpha } or β ≤ x 3 ≤ γ {\displaystyle \beta \leq x_{3}\leq \gamma } A possible rule is therefore in the form if x 1 ∈ { A , B , C , . . . } {\displaystyle x_{1}\in \{A,B,C,...\}} AND x 2 ≤ α {\displaystyle x_{2}\leq \alpha } AND β ≤ x 3 ≤ γ {\displaystyle \beta \leq x_{3}\leq \gamma } then y = y ¯ {\displaystyle y={\bar {y}}} == Types == According to the output type, different versions of the Logic Learning Machine have been developed: Logic Learning Machine for classification, when the output is a categorical variable, which can assume values in a finite set Logic Learning Machine for regression, when the output is an integer or real number.

U-matrix

The U-matrix (unified distance matrix) is a representation of a self-organizing map (SOM) where the Euclidean distance between the codebook vectors of neighboring neurons is depicted in a grayscale image. This image is used to visualize the data in a high-dimensional space using a 2D image. == Construction procedure == Once the SOM is trained using the input data, the final map is not expected to have any twists. If the map is twist-free, the distance between the codebook vectors of neighboring neurons gives an approximation of the distance between different parts of the underlying data. When such distances are depicted in a grayscale image, light colors depict closely spaced node codebook vectors and darker colors indicate more widely separated node codebook vectors. Thus, groups of light colors can be considered as clusters, and the dark parts as the boundaries between the clusters. This representation can help to visualize the clusters in the high-dimensional spaces, or to automatically recognize them using relatively simple image processing techniques.

Deluxe Paint Animation

DeluxePaint Animation is a 1990 graphics editor and animation creation package for MS-DOS, based on Deluxe Paint for the Amiga. It was adapted by Brent Iverson with additional animation features by Steve Shaw and released by Electronic Arts. The program requires VGA graphics, MS-DOS 2.1 or higher, and a mouse. == Features == Listed from the back of the box. Complete selection of painting tools — Draw any shape you want, any way you want. Turn any image into a brush. You can rotate, flip, shear, resize, smear, and shade it. 7 levels of magnification — Paint in magnified mode if you want. Use variable zoom for detailed editing at the pixel level. 3-D perspective — Move and rotate images in full 3-D, automatically. Use color cycling and gradient fills to create great special effects. Stencils — Protect your designs from the slip of the hand or a bad idea. A stencil masks your image so you can paint "behind" and "in front of" it. Use the handy Move Dialog to animate brushes in full 3-D — automatically! Ideal for creating spinning titles for low-cost videos. 37 multi-sized fonts

Mathematics of neural networks in machine learning

An artificial neural network (ANN) or neural network combines biological principles with advanced statistics to solve problems in domains such as pattern recognition and game-play. ANNs adopt the basic model of neuron analogues connected to each other in a variety of ways. == Structure == === Neuron === A neuron with label j {\displaystyle j} receiving an input p j ( t ) {\displaystyle p_{j}(t)} from predecessor neurons consists of the following components: an activation a j ( t ) {\displaystyle a_{j}(t)} , the neuron's state, depending on a discrete time parameter, an optional threshold θ j {\displaystyle \theta _{j}} , which stays fixed unless changed by learning, an activation function f {\displaystyle f} that computes the new activation at a given time t + 1 {\displaystyle t+1} from a j ( t ) {\displaystyle a_{j}(t)} , θ j {\displaystyle \theta _{j}} and the net input p j ( t ) {\displaystyle p_{j}(t)} giving rise to the relation a j ( t + 1 ) = f ( a j ( t ) , p j ( t ) , θ j ) , {\displaystyle a_{j}(t+1)=f(a_{j}(t),p_{j}(t),\theta _{j}),} and an output function f out {\displaystyle f_{\text{out}}} computing the output from the activation o j ( t ) = f out ( a j ( t ) ) . {\displaystyle o_{j}(t)=f_{\text{out}}(a_{j}(t)).} Often the output function is simply the identity function. An input neuron has no predecessor but serves as input interface for the whole network. Similarly an output neuron has no successor and thus serves as output interface of the whole network. === Propagation function === The propagation function computes the input p j ( t ) {\displaystyle p_{j}(t)} to the neuron j {\displaystyle j} from the outputs o i ( t ) {\displaystyle o_{i}(t)} and typically has the form p j ( t ) = ∑ i o i ( t ) w i j . {\displaystyle p_{j}(t)=\sum _{i}o_{i}(t)w_{ij}.} === Bias === A bias term can be added, changing the form to the following: p j ( t ) = ∑ i o i ( t ) w i j + w 0 j , {\displaystyle p_{j}(t)=\sum _{i}o_{i}(t)w_{ij}+w_{0j},} where w 0 j {\displaystyle w_{0j}} is a bias. == Neural networks as functions == Neural network models can be viewed as defining a function that takes an input (observation) and produces an output (decision) f : X → Y {\displaystyle \textstyle f:X\rightarrow Y} or a distribution over X {\displaystyle \textstyle X} or both X {\displaystyle \textstyle X} and Y {\displaystyle \textstyle Y} . Sometimes models are intimately associated with a particular learning rule. A common use of the phrase "ANN model" is really the definition of a class of such functions (where members of the class are obtained by varying parameters, connection weights, or specifics of the architecture such as the number of neurons, number of layers or their connectivity). Mathematically, a neuron's network function f ( x ) {\displaystyle \textstyle f(x)} is defined as a composition of other functions g i ( x ) {\displaystyle \textstyle g_{i}(x)} , that can further be decomposed into other functions. This can be conveniently represented as a network structure, with arrows depicting the dependencies between functions. A widely used type of composition is the nonlinear weighted sum, where f ( x ) = K ( ∑ i w i g i ( x ) ) {\displaystyle \textstyle f(x)=K\left(\sum _{i}w_{i}g_{i}(x)\right)} , where K {\displaystyle \textstyle K} (commonly referred to as the activation function) is some predefined function, such as the hyperbolic tangent, sigmoid function, softmax function, or rectifier function. The important characteristic of the activation function is that it provides a smooth transition as input values change, i.e. a small change in input produces a small change in output. The following refers to a collection of functions g i {\displaystyle \textstyle g_{i}} as a vector g = ( g 1 , g 2 , … , g n ) {\displaystyle \textstyle g=(g_{1},g_{2},\ldots ,g_{n})} . This figure depicts such a decomposition of f {\displaystyle \textstyle f} , with dependencies between variables indicated by arrows. These can be interpreted in two ways. The first view is the functional view: the input x {\displaystyle \textstyle x} is transformed into a 3-dimensional vector h {\displaystyle \textstyle h} , which is then transformed into a 2-dimensional vector g {\displaystyle \textstyle g} , which is finally transformed into f {\displaystyle \textstyle f} . This view is most commonly encountered in the context of optimization. The second view is the probabilistic view: the random variable F = f ( G ) {\displaystyle \textstyle F=f(G)} depends upon the random variable G = g ( H ) {\displaystyle \textstyle G=g(H)} , which depends upon H = h ( X ) {\displaystyle \textstyle H=h(X)} , which depends upon the random variable X {\displaystyle \textstyle X} . This view is most commonly encountered in the context of graphical models. The two views are largely equivalent. In either case, for this particular architecture, the components of individual layers are independent of each other (e.g., the components of g {\displaystyle \textstyle g} are independent of each other given their input h {\displaystyle \textstyle h} ). This naturally enables a degree of parallelism in the implementation. Networks such as the previous one are commonly called feedforward, because their graph is a directed acyclic graph. Networks with cycles are commonly called recurrent. Such networks are commonly depicted in the manner shown at the top of the figure, where f {\displaystyle \textstyle f} is shown as dependent upon itself. However, an implied temporal dependence is not shown. == Backpropagation == Backpropagation training algorithms fall into three categories: steepest descent (with variable learning rate and momentum, resilient backpropagation); quasi-Newton (Broyden–Fletcher–Goldfarb–Shanno, one step secant); Levenberg–Marquardt and conjugate gradient (Fletcher–Reeves update, Polak–Ribiére update, Powell–Beale restart, scaled conjugate gradient). === Algorithm === Let N {\displaystyle N} be a network with e {\displaystyle e} connections, m {\displaystyle m} inputs and n {\displaystyle n} outputs. Below, x 1 , x 2 , … {\displaystyle x_{1},x_{2},\dots } denote vectors in R m {\displaystyle \mathbb {R} ^{m}} , y 1 , y 2 , … {\displaystyle y_{1},y_{2},\dots } vectors in R n {\displaystyle \mathbb {R} ^{n}} , and w 0 , w 1 , w 2 , … {\displaystyle w_{0},w_{1},w_{2},\ldots } vectors in R e {\displaystyle \mathbb {R} ^{e}} . These are called inputs, outputs and weights, respectively. The network corresponds to a function y = f N ( w , x ) {\displaystyle y=f_{N}(w,x)} which, given a weight w {\displaystyle w} , maps an input x {\displaystyle x} to an output y {\displaystyle y} . In supervised learning, a sequence of training examples ( x 1 , y 1 ) , … , ( x p , y p ) {\displaystyle (x_{1},y_{1}),\dots ,(x_{p},y_{p})} produces a sequence of weights w 0 , w 1 , … , w p {\displaystyle w_{0},w_{1},\dots ,w_{p}} starting from some initial weight w 0 {\displaystyle w_{0}} , usually chosen at random. These weights are computed in turn: first compute w i {\displaystyle w_{i}} using only ( x i , y i , w i − 1 ) {\displaystyle (x_{i},y_{i},w_{i-1})} for i = 1 , … , p {\displaystyle i=1,\dots ,p} . The output of the algorithm is then w p {\displaystyle w_{p}} , giving a new function x ↦ f N ( w p , x ) {\displaystyle x\mapsto f_{N}(w_{p},x)} . The computation is the same in each step, hence only the case i = 1 {\displaystyle i=1} is described. w 1 {\displaystyle w_{1}} is calculated from ( x 1 , y 1 , w 0 ) {\displaystyle (x_{1},y_{1},w_{0})} by considering a variable weight w {\displaystyle w} and applying gradient descent to the function w ↦ E ( f N ( w , x 1 ) , y 1 ) {\displaystyle w\mapsto E(f_{N}(w,x_{1}),y_{1})} to find a local minimum, starting at w = w 0 {\displaystyle w=w_{0}} . This makes w 1 {\displaystyle w_{1}} the minimizing weight found by gradient descent. == Learning pseudocode == To implement the algorithm above, explicit formulas are required for the gradient of the function w ↦ E ( f N ( w , x ) , y ) {\displaystyle w\mapsto E(f_{N}(w,x),y)} where the function is E ( y , y ′ ) = | y − y ′ | 2 {\displaystyle E(y,y')=|y-y'|^{2}} . The learning algorithm can be divided into two phases: propagation and weight update. === Propagation === Propagation involves the following steps: Propagation forward through the network to generate the output value(s) Calculation of the cost (error term) Propagation of the output activations back through the network using the training pattern target to generate the deltas (the difference between the targeted and actual output values) of all output and hidden neurons. === Weight update === For each weight: Multiply the weight's output delta and input activation to find the gradient of the weight. Subtract the ratio (percentage) of the weight's gradient from the weight. The learning rate is the ratio (percentage) that influences the speed and quality of learning. The greater the ratio, the faster the neuron trains, but the lower the ratio, the more accurat