Car–Parrinello molecular dynamics (CPMD) refers to either a method used in molecular dynamics (also known as the Car–Parrinello method) or the computational chemistry software package used to implement this method. The CPMD method is one of the major methods for calculating ab initio molecular dynamics (ab initio MD or AIMD). Ab initio molecular dynamics (AIMD) is a computational method that uses first principles through quantum mechanics to simulate the motion of atoms in a system. It is a type of molecular dynamics (MD) simulation that does not rely on empirical potentials or force fields to describe the interactions between atoms, but rather calculates these interactions entirely from the electronic structure of the system using quantum mechanics. In an ab initio MD simulation, the total energy of the system is calculated at each time step using density functional theory (DFT), Hartree-Fock (HF), or other electronic structure calculation methods. The forces acting on each atom are then determined from the gradient of the energy with respect to the atomic coordinates, and the equations of motion are solved to predict the trajectory of the atoms. AIMD permits chemical bond breaking and forming events to occur and accounts for electronic polarization effect. Therefore, Ab initio MD simulations can be used to study a wide range of phenomena, including the structural, thermodynamic, and dynamic properties of materials and chemical reactions. They are particularly useful for systems that are not well described by empirical potentials or force fields, such as systems with strong electronic correlation or systems with many degrees of freedom. However, ab initio MD simulations are computationally demanding and require significant computational resources. The CPMD method is related to the more common Born–Oppenheimer molecular dynamics (BOMD) method in that the quantum mechanical effect of the electrons is included in the calculation of energy and forces for the classical motion of the nuclei. CPMD and BOMD are different types of AIMD. However, whereas BOMD treats the electronic structure problem within the time-independent Schrödinger equation, CPMD explicitly includes the electrons as active degrees of freedom, via (fictitious) dynamical variables. The software is a parallelized plane wave / pseudopotential implementation of density functional theory, particularly designed for ab initio molecular dynamics. == Car–Parrinello method == The Car–Parrinello method is a type of molecular dynamics, usually employing periodic boundary conditions, planewave basis sets, and density functional theory, proposed by Roberto Car and Michele Parrinello in 1985 while working at SISSA, who were subsequently awarded the Dirac Medal by ICTP in 2009. In contrast to Born–Oppenheimer molecular dynamics wherein the nuclear (ions) degree of freedom are propagated using ionic forces which are calculated at each iteration by approximately solving the electronic problem with conventional matrix diagonalization methods, the Car–Parrinello method explicitly introduces the electronic degrees of freedom as (fictitious) dynamical variables, writing an extended Lagrangian for the system which leads to a system of coupled equations of motion for both ions and electrons. In this way, an explicit electronic minimization at each time step, as done in Born–Oppenheimer MD, is not needed: after an initial standard electronic minimization, the fictitious dynamics of the electrons keeps them on the electronic ground state corresponding to each new ionic configuration visited along the dynamics, thus yielding accurate ionic forces. In order to maintain this adiabaticity condition, it is necessary that the fictitious mass of the electrons is chosen small enough to avoid a significant energy transfer from the ionic to the electronic degrees of freedom. This small fictitious mass in turn requires that the equations of motion are integrated using a smaller time step than the one (1–10 fs) commonly used in Born–Oppenheimer molecular dynamics. Currently, the CPMD method can be applied to systems that consist of a few tens or hundreds of atoms and access timescales on the order of tens of picoseconds. == General approach == In CPMD the core electrons are usually described by a pseudopotential and the wavefunction of the valence electrons are approximated by a plane wave basis set. The ground state electronic density (for fixed nuclei) is calculated self-consistently, usually using the density functional theory method. Kohn-Sham equations are often used to calculate the electronic structure, where electronic orbitals are expanded in a plane-wave basis set. Then, using that density, forces on the nuclei can be computed, to update the trajectories (using, e.g. the Verlet integration algorithm). In addition, however, the coefficients used to obtain the electronic orbital functions can be treated as a set of extra spatial dimensions, and trajectories for the orbitals can be calculated in this context. == Fictitious dynamics == CPMD is an approximation of the Born–Oppenheimer MD (BOMD) method. In BOMD, the electrons' wave function must be minimized via matrix diagonalization at every step in the trajectory. CPMD uses fictitious dynamics to keep the electrons close to the ground state, preventing the need for a costly self-consistent iterative minimization at each time step. The fictitious dynamics relies on the use of a fictitious electron mass (usually in the range of 400 – 800 a.u.) to ensure that there is very little energy transfer from nuclei to electrons, i.e. to ensure adiabaticity. Any increase in the fictitious electron mass resulting in energy transfer would cause the system to leave the ground-state BOMD surface. === Lagrangian === L = 1 2 ( ∑ I n u c l e i M I R ˙ I 2 + μ ∑ i o r b i t a l s ∫ d r | ψ ˙ i ( r , t ) | 2 ) − E [ { ψ i } , { R I } ] + ∑ i j Λ i j ( ∫ d r ψ i ψ j − δ i j ) , {\displaystyle {\mathcal {L}}={\frac {1}{2}}\left(\sum _{I}^{\mathrm {nuclei} }\ M_{I}{\dot {\mathbf {R} }}_{I}^{2}+\mu \sum _{i}^{\mathrm {orbitals} }\int d\mathbf {r} \ |{\dot {\psi }}_{i}(\mathbf {r} ,t)|^{2}\right)-E\left[\{\psi _{i}\},\{\mathbf {R} _{I}\}\right]+\sum _{ij}\Lambda _{ij}\left(\int d\mathbf {r} \ \psi _{i}\psi _{j}-\delta _{ij}\right),} where μ {\displaystyle \mu } is the fictitious mass parameter; E[{ψi},{RI}] is the Kohn–Sham energy density functional, which outputs energy values when given Kohn–Sham orbitals and nuclear positions. === Orthogonality constraint === ∫ d r ψ i ∗ ( r , t ) ψ j ( r , t ) = δ i j , {\displaystyle \int d\mathbf {r} \ \psi _{i}^{}(\mathbf {r} ,t)\psi _{j}(\mathbf {r} ,t)=\delta _{ij},} where δij is the Kronecker delta. === Equations of motion === The equations of motion are obtained by finding the stationary point of the Lagrangian under variations of ψi and RI, with the orthogonality constraint. M I R ¨ I = − ∇ I E [ { ψ i } , { R I } ] {\displaystyle M_{I}{\ddot {\mathbf {R} }}_{I}=-\nabla _{I}\,E\left[\{\psi _{i}\},\{\mathbf {R} _{I}\}\right]} μ ψ ¨ i ( r , t ) = − δ E δ ψ i ∗ ( r , t ) + ∑ j Λ i j ψ j ( r , t ) , {\displaystyle \mu {\ddot {\psi }}_{i}(\mathbf {r} ,t)=-{\frac {\delta E}{\delta \psi _{i}^{}(\mathbf {r} ,t)}}+\sum _{j}\Lambda _{ij}\psi _{j}(\mathbf {r} ,t),} where Λij is a Lagrangian multiplier matrix to comply with the orthonormality constraint. === Born–Oppenheimer limit === In the formal limit where μ → 0, the equations of motion approach Born–Oppenheimer molecular dynamics. == Software packages == There are a number of software packages available for performing AIMD simulations. Some of the most widely used packages include: CP2K: an open-source software package for AIMD. Quantum Espresso: an open-source package for performing DFT calculations. It includes a module for AIMD. VASP: a commercial software package for performing DFT calculations. It includes a module for AIMD. Gaussian: a commercial software package that can perform AIMD. NWChem: an open-source software package for AIMD. LAMMPS: an open-source software package for performing classical and ab initio MD simulations. SIESTA: an open-source software package for AIMD. ORCA: a general-purpose quantum chemistry package. == Applications == Studying the behavior of water across different environments, such as near a hydrophobic graphene sheet. Investigating the structure and dynamics of liquid water at ambient temperature. Solving the heat transfer problems (heat conduction and thermal radiation), such as in Si/Ge superlattices. Probing the proton transfer along hydrogen-bonds in different environments, such as in 1D water chains inside carbon nanotubes. Evaluating the critical point of crystals, composites, and solid-state materials, such as aluminum. Predicting and modelling different phases and phase transitions, such as in the amorphous phase of the phase-change memory material GeSbTe. Studying the combustion of combustibles, such as lignite-water systems. Measuring th
Niki.ai
Niki was an artificial intelligence company headquartered in Bangalore, Karnataka. It was founded in May 2015 by IIT Kharagpur graduates Sachin Jaiswal, Keshav Prawasi, Shishir Modi, and Nitin Babel. The Niki android app was launched for a limited beta in June 2015, then released for public during YourStory's TechSparks 2015, and is a Tech30 company. The company raised an undisclosed amount in seed funding from Unilazer Ventures, a Mumbai-based VC firm founded by Ronnie Screwvala, in October 2015. This was followed by another seed funding round by Ratan Tata in May 2016. The company then raised US$2 million in Series A round of funding from SAP.iO, existing investors and some US and German-based investors, among others. Niki.ai shut down in October 2021 as per media reports. Website not working. == Product == The product is an artificial intelligence-powered chatbot which works as an intelligent personal assistant, named Niki. Leveraging natural language processing and machine learning, Niki presents a chat-based natural language user interface to the users where they can interact with Niki in their natural language. Niki understands how users chat in India, deciphers the words, in the context of product/services that they would like to purchase, and comes up with apt recommendations. Initially, it was only available on the Android platform as a mobile app. The company has expanded its operations to the Facebook Messenger and Apple iOS platforms. The company aims to soon be present on more messaging platforms like Slack and WhatsApp. The company currently provides 20+ services to over 2 million consumers, covering a wide spectrum ranging from utility services like mobile recharge, bill payments, travel services like cabs, buses, hotels and entertainment services like movies and events. Services such as flights and healthcare are also planned. == Partnerships == In September 2017, Infosys Finacle joined with Niki.ai to provide chat-based service to banking customers. In August 2017, Niki partnered with LazyPay to enable a 'buy now, pay later' feature for its users.
JSGF
JSGF stands for Java Speech Grammar Format or the JSpeech Grammar Format (in a W3C Note). Developed by Sun Microsystems, it is a textual representation of grammars for use in speech recognition for technologies like XHTML+Voice. JSGF adopts the style and conventions of the Java programming language in addition to use of traditional grammar notations. The Speech Recognition Grammar Specification was derived from this specification. == Example == The following JSGF grammar will recognize the words coffee, tea, and milk.
ARIS Express
ARIS Express is a free-of-charge modeling tool for business process analysis and management. It supports different modeling notations such as BPMN 2, Event-driven Process Chains (EPC), Organizational charts, process landscapes, whiteboards, etc. ARIS Express was initially developed by IDS Scheer, which was bought by Software AG in December 2010. The tool is provided as freeware on the ARIS Community webpage. ARIS Express is notable - having been mentioned in research published by Schumm, Garcia, Krumnow and Greenwood amongst others. == History == ARIS Express was first announced on April 28, 2009 in a press release by IDS Scheer. The first release was on July 28, 2009 in a public beta test on ARIS Community. Only people, who registered before for the beta test were allowed to download and test this beta version. This closed beta test was followed with another public beta test. The official release of ARIS Express 1.0 was on September 9, 2009. In this first stable version, features such as Microsoft Visio import were added, which were not present in the version for the public beta test. On February 26, 2010, ARIS Express 2.0 was released. Major changes compared to version 1.0 include BPMN 2 support, integrated spellchecking and ARISalign integration. On May 25, 2010, version 2.1 of ARIS Express was released. This update improves BPMN 2 support, provides a new online help system for instant feedback, better ARISalign integration and some new symbols in different diagrams. Along with the release, a poster showing the most important modeling concepts supported by ARIS Express was released. In addition, an executable setup is provided for Microsoft Windows-based systems. Beginning of July, an update was released as ARIS Express 2.2, providing bug fixes only. ARIS Express version 2.2 is the current stable release. An official press release published mid of August 2010 said there are more than 50,000 downloads of ARIS Express. On February 2, 2011, version 2.3 of ARIS Express was released. This new version changes the file format of ARIS Express so that models can be shown in an interactive model viewer in ARIS Community. The release announcement contained no details about additional features or changes. == Functionality == === Overview === ARIS Express is a standalone single-user application. It is divided in a home screen and a modeling environment. The home screen is used to create new models or open recently edited ones. The modeling environment is used to edit diagrams. === Supported notations === The following notations are supported by ARIS Express. Users can create diagrams containing an unlimited number of modeling objects. BPMN 2 Collaboration Diagrams Event-driven Process Chains (EPC) Organizational charts Process landscape (value-added chain diagram) Data model in ERM notation IT infrastructure (network diagram) System landscape (component diagram) Whiteboard General diagram === Noteworthy features === Besides common features such as creating new diagrams, saving them as files or adding objects to the modeling canvas, ARIS Express also provides some noteworthy features, which can't be found in most comparable modeling tools. fragments - Often used modeling constructs such as an exclusive decision in a process model can be stored as fragments so that they are available for direct reuse in another model. smart designs - The flow of a process model or hierarchies of other models can be captured in a spreadsheet-like interface. While entering the data in the spreadsheet, the model is generated and laid out in the background while typing. mini toolbar - While moving the mouse pointer over an object in a diagram, a small toolbar is shown allowing quick access to the most important modeling actions. Microsoft Visio import - Diagrams created with Microsoft Visio 2007 or above can be imported to and edited in ARIS Express. A Microsoft Visio export is not provided. ARISalign import - Models created on the online collaboration platform ARISalign can be opened and edited in ARIS Express. === Exports === ARIS Express can export diagrams to different formats such as: PDF JPEG PNG EMF ADF ADF is the file format of ARIS Express. The professional tools of ARIS Platform are able to import diagrams stored in the ADF format. Yet, there are major limitations during import - namely, each object in diagram will be treated as unique object, despite having same type and name, forcing redrawing large sections of diagrams after import. Besides export formats, it is also possible to use the clipboard to copy and paste an ARIS Express diagram into typical office suites such as Microsoft PowerPoint. == Technology == ARIS Express is a Java-based application, which shares some of the features of ARIS Platform products such as ARIS Business Architect and ARIS Business Designer. In contrast to ARIS Platform products, ARIS Express doesn't use a central database for model storage. Instead, each diagram is stored in an ADF file. ARIS Express uses Java Web Start. After download, the application can be started immediately without installation procedure. For Microsoft Windows based systems, an ordinary setup is provided, too. ARIS Express requires Java 1.6.10 or above. On first startup, the user must enter a valid ARIS Community account to register the application. Creating an ARIS Community account is free-of-charge. After installation, no Internet connection is needed to use ARIS Express. ARIS Express uses a mechanism provided by Java Web Start to automatically update the application as soon as a new version becomes available and the user is connected to the Internet during startup. There are reports that this automated update failed while upgrading from version 1.0 to version 2.0. As ARIS Express is based on Java Web Start, it can be installed on any platform supported by Java. The ARIS Community and other Internet sources have reports of successful deployment of ARIS Express on other operating systems than Microsoft Windows. However, ARIS Express is officially supported only on Microsoft Windows. == Miscellaneous == A quick reference sheet is available for ARIS Express. The poster shows all supported diagrams plus the most important modelling concepts for each supported modelling language. ARIS Express contains a hidden game, a so-called Easter Egg. The game can be started by clicking several times on the product logo in the about dialog. Highscores achieved in the game can be submitted to a special page in ARIS Community. A Firefox Personas is available for ARIS Express.
Voice search
Voice search, also called voice-enabled search, allows the user to use a voice to search the Internet, a website, or an app. In a broader definition, voice search includes open-domain keyword query on any information on the Internet, for example in Google Voice Search, Cortana, Siri and Amazon Echo. Voice search is often interactive, involving several rounds of interaction that allows a system to ask for clarification. Voice search is a type of dialog system. Voice search is not a replacement for typed search. Rather the search terms, experience and use cases can differ heavily depending on the input type. == Supported language == Language is the most essential factor for a system to understand, and provide the most accurate results of what the user searches. This covers across languages, dialects, and accents, as users want a voice assistant that both understands them and speaks to them understandably. While spoken and written languages differ, voice search should support natural spoken language instead of only transforming voice into text and doing a regular text search with the help speech recognition. For example, in typed search an eCommerce user can easily copy and paste an alphanumeric product code to search field, but when speaking the search terms can be very different, such as "show me the new Bluetooth headphones by Samsung". == How it works == The difference between text and voice search is not only the input type. The mechanism must include an automatic speech recognition (ASR) for input, but it can also include natural language understanding for natural spoken search queries such as "What's the population for the United States" It can include text-to-speech (TTS) or a regular display for output modalities. Users might sometimes be required to activate the search by using a wake word. Then, the search system will detect the language spoken by the user. It will then detect the keywords and context of the sentence. Lastly, the device will return results depending on its output. A device with a screen might display the results, while a device without a screen will speak them back to the searcher.
Artificial intelligence controversies
The controversies surrounding artificial intelligence encompass a broad range of public, academic, and political debates regarding the societal effects of artificial intelligence (AI). These debates intensified particularly in the late 2010s and 2020s, coinciding with an accelerated period of development known as the AI boom. While advocates emphasize the technology's potential to solve complex problems and enhance human quality of life, detractors highlight a wide array of dangers and challenges. These include concerns over ethics, plagiarism and theft, fraud, safety and alignment, environmental impacts, technological unemployment, and the spread of misinformation. It also covers severe future or theoretical challenges, such as the emergence of artificial superintelligence and existential risks. == 2016 == === Microsoft Tay chatbot (2016) === On March 23, 2016, Microsoft released Tay, a chatbot designed to mimic the language patterns of a 19-year-old American girl and learn from interactions with Twitter users. Soon after its launch, Tay began posting racist, sexist, and otherwise inflammatory tweets after Twitter users deliberately taught it offensive phrases and exploited its "repeat after me" capability. Examples of controversial outputs included Holocaust denial and calls for genocide using racial slurs. Within 16 hours of its release, Microsoft suspended the Twitter account, deleted the offensive tweets, and stated that Tay had suffered from a "coordinated attack by a subset of people" that "exploited a vulnerability." Tay was briefly and accidentally re-released on March 30 during testing, after which it was permanently shut down. Microsoft CEO Satya Nadella later stated that Tay "has had a great influence on how Microsoft is approaching AI" and taught the company the importance of taking accountability. == 2022 == === Voiceverse NFT plagiarism scandal (2022) === On January 14, 2022, voice actor Troy Baker announced a partnership with Voiceverse, a blockchain-based company that marketed proprietary AI voice cloning technology as non-fungible tokens (NFT), triggering immediate backlash over environmental concerns, fears that AI could displace human voice actors, and concerns about fraud. Later that same day, the pseudonymous creator of 15.ai—a free, non-commercial AI voice synthesis research project—revealed through server logs that Voiceverse had used 15.ai to generate voice samples, pitch-shifted them to make them unrecognizable, and falsely marketed them as their own proprietary technology before selling them as NFTs; the developer of 15.ai had previously stated that they had no interest in incorporating NFTs into their work. Voiceverse confessed within an hour and stated that their marketing team had used 15.ai without attribution while rushing to create a demo. News publications and AI watchdog groups universally characterized the incident as theft stemming from generative artificial intelligence. === Théâtre D'opéra Spatial (2022) === On August 29, 2022, Jason Michael Allen won first place in the "emerging artist" (non-professional) division of the "Digital Arts/Digitally-Manipulated Photography" category of the Colorado State Fair's fine arts competition with Théâtre D'opéra Spatial, a digital artwork created using the AI image generator Midjourney, Adobe Photoshop, and AI upscaling tools, becoming one of the first images made using generative AI to win such a prize. Allen disclosed his use of Midjourney when submitting, though the judges did not know it was an AI tool but stated they would have awarded him first place regardless. While there was little contention about the image at the fair, reactions to the win on social media were negative. On September 5, 2023, the United States Copyright Office ruled that the work was not eligible for copyright protection as the human creative input was de minimis and that copyright rules "exclude works produced by non-humans." == 2023 == === Statements on AI risk (2023) === On March 22, 2023, the Future of Life Institute published an open letter calling on "all AI labs to immediately pause for at least 6 months the training of AI systems more powerful than GPT-4", citing risks such as AI-generated propaganda, extreme automation of jobs, human obsolescence, and a society-wide loss of control. The letter, published a week after the release of OpenAI's GPT-4, asserted that current large language models were "becoming human-competitive at general tasks". It received more than 30,000 signatures, including academic AI researchers and industry CEOs such as Yoshua Bengio, Stuart Russell, Elon Musk, Steve Wozniak and Yuval Noah Harari. The letter was criticized for diverting attention from more immediate societal risks such as algorithmic biases, with Timnit Gebru and others arguing that it amplified "some futuristic, dystopian sci-fi scenario" instead of current problems with AI. On May 30, 2023, the Center for AI Safety released a one-sentence statement signed by hundreds of artificial intelligence experts and other notable figures: "Mitigating the risk of extinction from AI should be a global priority alongside other societal-scale risks such as pandemics and nuclear war." Signatories included Turing laureates Geoffrey Hinton and Yoshua Bengio, as well as the scientific and executive leaders of several major AI companies, including Sam Altman, Demis Hassabis, and Bill Gates. The statement prompted responses from political leaders, including UK Prime Minister Rishi Sunak, who retweeted it with a statement that the UK government would look carefully into it, and White House Press Secretary Karine Jean-Pierre, who commented that AI "is one of the most powerful technologies that we see currently in our time." Skeptics, including from Human Rights Watch, argued that scientists should focus on known risks of AI instead of speculative future risks. === Removal of Sam Altman from OpenAI (2023) === On November 17, 2023, OpenAI's board of directors ousted co-founder and chief executive Sam Altman, stating that "the board no longer has confidence in his ability to continue leading OpenAI." The removal was precipitated by employee concerns about his handling of artificial intelligence safety and allegations of abusive behavior. Altman was reinstated on November 22 after pressure from employees and investors, including a letter signed by 745 of OpenAI's 770 employees threatening mass resignations if the board did not resign. The removal and subsequent reinstatement caused widespread reactions, including Microsoft's stock falling nearly three percent following the initial announcement and then rising over two percent to an all-time high after Altman was hired to lead a Microsoft AI research team before his reinstatement. The incident also prompted investigations from the Competition and Markets Authority and the Federal Trade Commission into Microsoft's relationship with OpenAI. == 2024 == === Taylor Swift deepfake pornography controversy (2024) === In late January 2024, sexually explicit AI-generated deepfake images of Taylor Swift were proliferated on X, with one post reported to have been seen over 47 million times before its removal. Disinformation research firm Graphika traced the images back to 4chan, while members of a Telegram group had discussed ways to circumvent censorship safeguards of AI image generators to create pornographic images of celebrities. The images prompted responses from anti-sexual assault advocacy groups, US politicians, and Swifties. Microsoft CEO Satya Nadella called the incident "alarming and terrible." X briefly blocked searches of Swift's name on January 27, 2024, and Microsoft enhanced its text-to-image model safeguards to prevent future abuse. On January 30, US senators Dick Durbin, Lindsey Graham, Amy Klobuchar, and Josh Hawley introduced a bipartisan bill that would allow victims to sue individuals who produced or possessed "digital forgeries" with intent to distribute, or those who received the material knowing it was made without consent. === Google Gemini image generation controversy (2024) === In February 2024, social media users reported that Google's Gemini chatbot was generating images that featured people of color and women in historically inaccurate contexts—such as Vikings, Nazi soldiers, and the Founding Fathers—and refusing prompts to generate images of white people. The images were derided on social media, including by conservatives who cited them as evidence of Google's "wokeness", and criticized by Elon Musk, who denounced Google's products as biased and racist. In response, Google paused Gemini's ability to generate images of people. Google executive Prabhakar Raghavan released a statement explaining that Gemini had "overcompensate[d]" in its efforts to strive for diversity and acknowledging that the images were "embarrassing and wrong". Google CEO Sundar Pichai called the incident offensive and unacceptable in an internal memo, promising struc
Breakup Notifier
Breakup Notifier was a web application written by product developer and programmer Dan Loewenherz that enabled its registered users to track the relationship status of their Facebook friends. An email notification was sent to the user when one of their Facebook friends changed their relationship status. The app was one of the most viral Facebook app's at the time of its release. It was mentioned in a skit on The Jay Leno Show and news of its popularity was published in Time magazine, The New York Post, CNET, and The Globe and Mail. == Popularity and Facebook controversy == Breakup Notifier gathered 100,000 users in less than 24 hours of its launch and reached a user base of more than 3,000,000 in February 2011. Facebook then blocked the app. Loewenherz later created an app named Crush Notifier, which differs from the original app in that users can check if they have a mutual crush. Breakup Notifier was later unblocked by Facebook and monetized.