Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Computational biologyComputational biology refers to the use of data analysis, mathematical modeling and computational simulations to understand biological systems and relationships. An intersection of computer science, biology, and big data, the field also has foundations in applied mathematics, chemistry, and genetics. It differs from biological computing, a subfield of computer engineering which uses bioengineering to build computers. Bioinformatics, the analysis of informatics processes in biological systems, began in the early 1970s.
TransformerA transformer is a passive component that transfers electrical energy from one electrical circuit to another circuit, or multiple circuits. A varying current in any coil of the transformer produces a varying magnetic flux in the transformer's core, which induces a varying electromotive force (EMF) across any other coils wound around the same core. Electrical energy can be transferred between separate coils without a metallic (conductive) connection between the two circuits.
Arbitrary-precision arithmeticIn computer science, arbitrary-precision arithmetic, also called bignum arithmetic, multiple-precision arithmetic, or sometimes infinite-precision arithmetic, indicates that calculations are performed on numbers whose digits of precision are limited only by the available memory of the host system. This contrasts with the faster fixed-precision arithmetic found in most arithmetic logic unit (ALU) hardware, which typically offers between 8 and 64 bits of precision.
Generative pre-trained transformerGenerative pre-trained transformers (GPT) are a type of large language model (LLM) and a prominent framework for generative artificial intelligence. The first GPT was introduced in 2018 by OpenAI. GPT models are artificial neural networks that are based on the transformer architecture, pre-trained on large data sets of unlabelled text, and able to generate novel human-like content. As of 2023, most LLMs have these characteristics and are sometimes referred to broadly as GPTs.
Self (programming language)Self is an object-oriented programming language based on the concept of prototypes. Self began as a dialect of Smalltalk, being dynamically typed and using just-in-time compilation (JIT) as well as the prototype-based approach to objects: it was first used as an experimental test system for language design in the 1980s and 1990s. In 2006, Self was still being developed as part of the Klein project, which was a Self virtual machine written fully in Self. The latest version is 2017.1 released in May 2017.
BackpropagationAs a machine-learning algorithm, backpropagation performs a backward pass to adjust the model's parameters, aiming to minimize the mean squared error (MSE). In a single-layered network, backpropagation uses the following steps: Traverse through the network from the input to the output by computing the hidden layers' output and the output layer. (the feedforward step) In the output layer, calculate the derivative of the cost function with respect to the input and the hidden layers.
Vanishing gradient problemIn machine learning, the vanishing gradient problem is encountered when training artificial neural networks with gradient-based learning methods and backpropagation. In such methods, during each iteration of training each of the neural networks weights receives an update proportional to the partial derivative of the error function with respect to the current weight. The problem is that in some cases, the gradient will be vanishingly small, effectively preventing the weight from changing its value.
Pumped-storage hydroelectricityPumped-storage hydroelectricity (PSH), or pumped hydroelectric energy storage (PHES), is a type of hydroelectric energy storage used by electric power systems for load balancing. The method stores energy in the form of gravitational potential energy of water, pumped from a lower elevation reservoir to a higher elevation. Low-cost surplus off-peak electric power is typically used to run the pumps. During periods of high electrical demand, the stored water is released through turbines to produce electric power.
Python (programming language)Python is a high-level, general-purpose programming language. Its design philosophy emphasizes code readability with the use of significant indentation. Python is dynamically typed and garbage-collected. It supports multiple programming paradigms, including structured (particularly procedural), object-oriented and functional programming. It is often described as a "batteries included" language due to its comprehensive standard library.
Mathematical and theoretical biologyMathematical and theoretical biology, or biomathematics, is a branch of biology which employs theoretical analysis, mathematical models and abstractions of the living organisms to investigate the principles that govern the structure, development and behavior of the systems, as opposed to experimental biology which deals with the conduction of experiments to prove and validate the scientific theories. The field is sometimes called mathematical biology or biomathematics to stress the mathematical side, or theoretical biology to stress the biological side.
Seq2seqSeq2seq is a family of machine learning approaches used for natural language processing. Applications include language translation, , conversational models, and text summarization. The algorithm was developed by Google for use in machine translation. Similar earlier work includes Tomáš Mikolov's 2012 PhD thesis. In 2019, Facebook announced its use in symbolic integration and resolution of differential equations. The company claimed that it could solve complex equations more rapidly and with greater accuracy than commercial solutions such as Mathematica, MATLAB and Maple.
