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Gnome
Gnom mit Zeitung und Tabakspfeife (English: Gnome with newspaper and tobacco pipe) by Heinrich Schlitt (1923)
Creature information
GroupingDiminutive spirit
FolkloreRenaissance
Origin
First attested16th century

A gnome (/nm/[1]) is a mythological creature and diminutive spirit in Renaissance magic and alchemy, introduced by Paracelsus in the 16th century and widely adopted by authors, including those of modern fantasy literature. They are typically depicted as small humanoids who live underground. Gnome characteristics are reinterpreted to suit various storytellers and artists.[2]

Paracelsus's gnome is recognized to have derived from the German miners' legend about Bergmännlein or dæmon metallicus, the "metallurgical or mineralogical demon", according to Georg Agricola (1530), also called virunculus montanos (literal Latinization of Bergmännlein = "mountain manikin") by Agricola in a later work (1549), and described by other names such as cobeli (sing. cobelus; Latinization of German Kobel). Agricola recorded that according to the legends of that profession, these mining spirits acted as miming and laughing pranksters who sometimes threw pebbles at miners, but could also reward them by depositing a rich vein of silver ore.

Paracelsus also called his gnomes occasionally by these names (Bergmännlein, etc.) in the German publications of his work (1567). Paracelsus claimed gnomes measured 2 spans (18 inches) in height, whereas Agricola had them to be 3 dodrans (3 spans, 27 inches) tall.

The name of the element cobalt descends from kobelt, a 16th century German miners' term for unwanted ore (cobalt-zinc ore, or possibly the noxious cobaltite and smaltite), related as mischief perpetrated by the gnome Kobel[a] (cf. § cobalt ore). This Kobel is a synonym of Bergmännlein,[3] technically not the same as kobold, but there is confusion or conflation between them.

The terms Bergmännlein/Bergmännchen or Berggeist [de] are often used in German publications as the generic, overall term for the mine spirits told in "miners' legends" (Bergmannssage).[6]

Lawn ornaments crafted as gnomes were introduced during the 19th century, growing in popularity during the 20th century as garden gnomes.[7]

Etymology

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The word comes from Renaissance Latin gnomus, gnomos,[8] (pl. gnomi[10]) which first appears in A Book on Nymphs, Sylphs, Pygmies, and Salamanders, and on the Other Spirits by Paracelsus, published posthumously in Nysa in 1566.[b][11][12]

The term may be an original invention of Paracelsus, possibly deriving the term from Latin *gēnomos, itself representing a Greek *γηνόμος, approximated by "*gē-nomos", literally "earth-dweller". This is characterized by the Oxford English Dictionary (OED) as a case of "blunder",[1] presumably referring to the omission of the ē to arrive at gnomus. However, this conjectural derivation is not substantiated by any known prior attestation in literature,[c] and one commentator suggests the truth will never be known, short of a discovery of correspondence from the author.[d][13]

Paracelsus

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Paracelsus uses Gnomi as a synonym of Pygmæi[1] and classifies them as earth elementals.[14][15] He describes them as two spans tall.[e][16][17] They are able to move through solid earth, as easily as humans move through air, and hence described as being like a "spirit".[18] However the elementals eat, drink and talk (like humans), distinguishing them from spirits.[19][f]

According to Paracelsus's views, the so-called dwarf (German: Zwerg, Zwerglein) is merely monstra (deformities) of the earth spirit gnome.[27]

Note that Paracelsus also frequently resorts to circumlocutions like "mountain people" (Bergleute) or "mountain manikins" ("Bergmänlein" [sic][28]) to denote the gnomi in the German edition (1567).[29]

Precursors

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There was a belief in early modern Germany about beings that lurked in the mines, known as Bergmännlein (var. Bergmännlin,[30] Bergmänngen[31]), equatable to what Paracelsus called "gnomes".[32] Paracelsus's contemporary, Georgius Agricola, being a supervisor of mines, collected his well-versed knowledge of this mythical being in his monograph, De amantibus subterraneis (recté De animantibus subterraneis, 1549).[32] The (corrected) title suggests the subject to be "subterranean animate beings". It was regarded as a treatise on the "Mountain spirit" (Berggeist by the Brothers Grimm, in Deutsche Sagen.[35][36]

Agricola is the earliest and probably most reliable source on Berggeist [de], then known as Bergmännlein, etc.[37] Agricola's contemporary Johannes Mathesius, a Lutheran reformist theologian, in Sarepta Oder Bergpostill (1562) uses these various mine-lore terminology in his German sermon, so that the noxious ore which Agricola called cadmia is clarified as that which German miners called cobelt (also kobelt, cobalt),[40] and a demon the Germans called kobel was held responsible for the mischief of its existence, according to the preacher. The kobel demon was also blamed for the "hipomane" [sic] or horse's poison (cf. hippomanes, § Rosenkranz mine, Annaberg).[43][g][h]

Agricola

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Agricola, in his earlier Latin work Bermanus, sive, de re metallica (first printed 1530, reprinted 1546, etc.), did delve into a limited discussion on the "metallurgical or mine demon" (dæmon metallicus)[i] touching on the "Corona rosacea" mine disaster (cf. § Rosenkranz mine, Annaberg) and the framework of Psellosian demonology (cf. § Demonology). A Latin-German gloss in later editions identify the being he called daemon metallicus as code for German Bergmännlein (Das bergmenlin [sic], "mountain manikin", general term for earth spirit or mine spirit).[45]

Much more details were presented in Agricola's later Latin work De animantibus subterraneis (1549) (cf. § De animantibus subterraneis),[46][47] known as a monograph on Berggeist ("mountain spirit") in the Grimms' Deutsche Sagen.[36] The equivalent German appellations of the demons/spirits were made available by the subsequent gloss published 1563.[49] Agricola here refers to the "gnome/mine spirit" by a variety of other terms and phrases, such as virunuculus montanos ("mountain manikin", i.e., German: Bergmännlein) or Greek/Latin cobelos/cobelus (German: kobel) .

The pertinent gloss, also quoted by Jacob Grimm,[51] states that the more ferocious of the "underground demons" (daemon subterraneus) were called in German Berg-Teufel or "mountain-devil", while the milder ones were called Bergmännlein, Kobel, Güttel.[j][3] And the daemon metallicus "mine demon" aka Bergmännlein (bergmenlein [sic]) is somehow responsible for depositing rich veins of ore ("fundige zech)" (specifically rich silver[52] ore).[53][50]

A different entry in the gloss reveals that the "metallurgical demon" (daemon metallicus) or Bergmännlein is somehow responsible for leaving a rich vein of ore (fundige zech),[50] specifically a rich vein of silver.[54][56]

De animantibus subterraneis

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According to Agricola in De animantibus subterraneis (1549), these mountain-cave demons were called by the same name, cobalos, in both Greek (i.e. kobalos) and German (i.e. kobel[57][36] var. kobal[59]). The Latin form is appended in the margin (pl. cobali, sing. cobalus). They earned such names due to their alleged habits of aping or mimicking humans. They have the penchant to laugh, and pretend to act like they are doing something meaningful, without actually accomplishing anything.[46][47]

In classical Greek literature, kobalos (κόβαλος) refers to an "impudent rogue",[60][61] or in more modern parlance, "joker"[62] or "trickster".[63] The chemist J. W. Mellor (1935) had suggested "mime".[66]

These were otherwise called the virunculos montanos, literally translatable into German as Bergmännlein, or English as "mountain manikin"[k][68][69] due to their small stature (about 2 feet).[l] They had the appearance of old age, and dressed like miners,[m] in laced/filleted shirt[n][o] and leather apron around the loins.[46][70][47] Although they may pelt miners with gravel/pebbles[p] they did no real harm, unless they were first provoked.[46][47]

Agricola goes on to add there are similar to the beings which the Germans called Guteli (singular: Gutelos; German: Gütel,[36][73] var. Güttgen), which are amicable demons that are rarely seen, since they have business at their home taking care of livestock.[q][46][70] A Gütel or Güttel is elsewhere explained as not necessarily a mountain spirit, but more generic, and may haunt forests and fields.[74][r][s] The Hoovers render these as "goblins".[47]

Agricola finally adds these resemble the Trullis (trolls?) as they are called especially by the Swedes,[t] said to shapeshift into the guise of human males and females, and sometimes made to serve men.[46][70]

Rosenkranz mine, Annaberg

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Purportedly a mountain demon incident caused 12 fatalities at a mine named Rosenkrans at Anneberg[79] or rather Rosenkranz[80][81] or Rosenkrone[82] (Latin: Corona Rosacea[42]) at Annaberg-Buchholz, in the Ore Mountains (German: Erzgebirge) in Saxony.[37] The demon took on the guise of the horse, and killed the twelve men with its breath, according to Agricola.[83][85]

Demonology

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Agricola has a passage in Bermanus which is quoted by a modern scholar as relevant to the study of his contemporary Paracelsus.[86] The passage contains the line[87] basically repeated by Olaus, as "there exist in ore-bearing regions six kinds of demon more malicious than the rest".[88][78]

This is probably misstated or misleading, since Bermanus cites Psellus,[45] who devised a classification of six demon classes, where clearly it is not all six, but just the fifth class of subterranean demons which are relevant to mining.[89]

This demon class is also equatable to Agricola's Cobali and Getuli (recte "Guteli")[90][s] according to commentators.[89][91]

It has also been noted that Agricola distinguished the "mountain devil", exemplified by Rübezahl with the small-statured Bergmännlein;[92] although the popular notion was that Rübezahl was indeed lord of the gnomes, as told in folktales around the Giant Mountains (German: Riesengibirge) region in Silesia, published by 18th century folktale collector Musäus.[93]

Agricola explaining that the "mine demon" dæmon metallicus or Bergmenlin somehow deposited "rich mines" was mentioned above.[53]

Cobalt ore

[edit]

Agricola knew of certain noxious unwanted ores the German miners called kobelt, though he generally referred to it by the Greek term, cadmia.[38][94] This cadmia/kobelt has conventionally been interpreted as referring to cobalt–zinc ore, but Agricola ascribes to it corrosive dangers to the miners' feet, so modern commentators have suggested a better candidate to be smaltite, a cobalt and nickel arsenide mixture which presents corrosive properties.[94] This ore, which defied being smelted by the metallurgy of that time, may also have been cobaltite, composed of cobalt, arsenic, and sulfur.[95]

The presence of this nuisance ore kobelt was blamed on the similar-sounding kobel mine spirits, as Mathesius noted in his preaching.[43] The inferred etymology of kobelt deriving from kobel, which Mathesius does not quite elocute, was explicitly articulated by Johannes Beckmann in Beiträge zur Geschichte der Erfindungen (translated into English as The History of Inventions, discoveries and origins, 1797).[42]

The kobel spirit that was possibly the namesake of the ore is characterized as a "gnome or a goblin" by science writer Philip Ball.[94][97] However, 20th century dictionaries had suggested derivation from Kobold, for example, Webster's in 1911 which did not distinguish kobel from Kobold and lumped them together,[98] and the OED which conjectured that the ore kobolt and the spirit kobolt/Kobold was the same word.[99] An alternative etymology deriving kobolt ore from Kübel, a type of bucket mentioned by Agricola, has been suggested by Karl Müller-Fraureuth.[74][101] Peter Wothers suggests that cobalt could derive (without connection to Agricola) from cobathia for noxious smoke.[96]

Olaus Magnus

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Demons in the mine. Olaus Magnus, Historia de gentibus septentrionalibus[88][78]

The erudite Swedish Olaus Magnus in his Historia de Gentibus Septentrionalibus (1555) also provides a chapter on "demons in the mines".[88][78] Although Olaus uses the term "demon" (daemon) and not the uninvented coinage "gnome", the accompanying woodcut he provided (reproduced here) has been represented as "gnome" in modern reference sources.[2][102][103]

Praetorius

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Bergmännerlein, Wights, and Subterraneans (Unter-Irrdische). Engraving by Thomas Cross, Sr. (fl. 1632–1682), frontispiece to Praetorius (1668) [1666] Anthropodemus Plutonicus.

Johannes Praetorius in Anthropodemus Plutonicus (1666) devotes a chapter of considerable length to the beings he calls Bergmännrigen or Erdleute "earth people", and follows Agricola to a large extent. Thus he considers earth spirits to be of two types, one more evil and sinister looking, the other more benevolent and known as Bergmännlein (lit.'little mountain man') or Kobolde. He gives the measurement of what he calls the Bergmännrigen at "drey viertel einer Ellen lang",[104][105] perhaps shy of one and a half feet.[u]

The mention of kobolde here as a name for the underground spirit is an unresolved contradiction to Praetorius dedicating a wholly separate chapter on the kobold as house sprite[106] with a separate frontispiece art labeled "8. Haußmänner/Kobolde/Gütgen" for the house spirits.[107]

Folklore examples

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Silver Thaler coin. Goslar mint. Dated 1587

The anecdote of the "Rosenkranz" mine localized in Saxony was already given above in § Rosenkranz mine, Annaberg. This and other near modern attestations are given in Wolfersdorf's anthology (1968) above.[108]

German lore regarding gnomes or Berggeister (mine spirits) depicts them as beneficial creatures, at least if they are treated respectfully, and lead miners to rich veins of ore.[110]

Bergmönch of Harz and mine light

[edit]

The silver thaler minted by Duke Henry the Younger of Brunswick-Wolfenbüttel (first minted 1539[111]) which features a "wild man" (see image) was seen to reassert his claim of complete ownership of the local silver and forest resources of the Harz Mountains, probably depicting the supernatural that miners believed led them to the whereabouts of silver ore. Even though the wild man above surface could be a vague supernatural guide, it is pointed out that it must be the Berggeist burrowing underground which guides miners to exact spots. In the Harz area, it is a Bergmönch or "mountain monk" who uses the so-called "mining light" (Grubenlicht or Geleucht) to guide miners to their quarry or to their exit.[112][113] Contemporary writing by the priest Hardanus Hake in his Bergchronik (1583) records the belief that when the Walkenried Abbey operated the mining operation at Wildemann, it was actually being built and run by the Daemon Metallicus or Bergleute, Bergmännlein (i.e. gnomes) that assumed the form of monks,[114] and even before Hake, Agricola (1666)[115][116] had been the first to write of a giant clad in a monk's habit roaming the Ore Mountains.[117] But the term Bergmönch did not come into usage until later, around the mid-17th century.[117] The term Bergmönch was prevalent around Harz and Ore Mountains, but also in use in Transylvania and Graubünden (Grisons, Switzerland).[115]

The lantern he holds is apparently an ignited lump of tallow (Unschlitt).[118] It is also said that the Bergmönch was originally a mine supervisor who begged God to let him continue oversight of mines after death. If ignored it will angrily appear in its giant true form, with eyes as large as cartwheels, his silver lantern measuring a German bushel or Scheffel [de].[v][118]

Communication through noises

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Nineteenth-century miners in Bohemia and Hungary reported hearing knocking in the mines. The mining trade there interpreted such noises as warnings from the kobolds to not go in that direction. Although the Hungarian (or Czech) term was not given by the informant, and called "kobolds" of these mines, they were stated as the equivalents of the Berggeist of the Germans.[122]

Nineteenth-century German miners also talked of the Berggeist, who appeared as small black men, scouting ahead of miners with a hammer, and with their banging sound indicating whether veins of ore, or breaks in the veins called 'faults', and the more knocks, the richer the vein lay ahead.[123]

There is also a experiential report of a German mine sprite communicating residents and visiting their house (cf. Kobold § Visitors from mines).

Switzerland

[edit]

The gnomes of Swiss folklore are also associated with riches of the mines. They are said to have caused the landslide that destroyed the Swiss village of Plurs in 1618 – the villagers had become wealthy from a local gold mine created by the gnomes, who poured liquid gold down into a vein for the benefit of humans, and were corrupted by this newfound prosperity, which greatly offended the gnomes.[124]

Folkloristics

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Grimm discusses the Bergmännlein somewhat under the subsection of Dwarfs (Zwerge), arguing that the dwarf's Nebelkappe (known as Tarnkappe in the Nibelungenlied) slipped from being known as a cape or cloak covering the body in earlier times, into being thought of as caps or head coverings in the post-medieval era. As an example, he cites the Bergmännlein wearing a pointed hat, according to Rollenhagen's poem Froschmeuseler.[71][126]

As can be glimpsed by this example, the approach of Grimm's "Mythologische Schule" is to regard the lore of the various männlein or specifically Bergmännlein as essentially derivatives of the Zwerge/dvergr of pagan Germanic mythologies.[127][w]

In the 1960s there developed a general controversy between this "mythological school" and its opponents over how to interpret the so-called "miner's legends". What sparked the controversy was not over the Bergmännlein type tale per se, but over Grimms' "Three Miners of Kuttenberg",[x] who are trapped underground but supernaturally maintain longevity through prayer.[128] Siegfried Kube (1960) argued the tale was based on ancient mythology, i.e., pagan alpine worship.[131] This was countered by Wolfgang Brückner [de] (1961) who regarded the tale as inspired by medieval Catholic notion of the purgatory.[132] Whereas Ina-Maria Greverus (1962), presented yet a different view, that it was not based on organized church doctrine, but a world-view and faith in the miner's unique microcosm.[133][132]

Greverus at least in her 1962 piece, centered her argument on the Berggeist (instead of Bergmännlein).[133][134] Grimm also uses the Berggeist apparently as a type of Zwerg,[137] but there has been issued a caveat that the meaning of the term Berggeist according to Grimm may not necessarily coincide with the meaning used by the proletarian Greverus.[134] Gerhard Heilfurth [de] and Greverus's Bergbau und Bergmann (1967) amply discuss the Bergmännlein.[138]

The collection of tales under the classification of "Berggeist" was already anticipated as far back as Friedrich Wrubel (1883).[139][140][142] Later Franz Kirnbauer [de] published Bergmanns-Sagen (1954), a collection of miner's legends which basically adopted Wrubel's four-part classification, except Wrubel's Part 2 was retitled as one about "Bergmännlein".[139][141]

In Karl Müllenhoff's anthology (1845), legends No. 443 Das Glück der Grafen Ranzau and No. 444 Josias Ranzaus gefeites Schwert feature the Bergmännlein-männchen or its female form Bergfräuchen.[143][144]

Other collected works also bear "Berggeist-sagen" in the title, such as the collection of legends in Lower Saxony by Wolfersdorf (1968).[108]

Cultural references

[edit]

Derivative uses

[edit]

Garden gnomes

[edit]
Historic garden gnomes on display at the Gnome Reserve in Devon, UK. The ornament on the left of the image was produced by Eckardt and Mentz in the late nineteenth-century,
By the late twentieth century the garden gnome had come to be stylised as an elderly man with a full white beard and a pointed hat.

After World War II (with early references, in ironic use, from the late 1930s) the diminutive figurines introduced as lawn ornaments during the 19th century came to be known as garden gnomes. The image of the gnome changed further during the 1960s to 1970s, when the first plastic garden gnomes were manufactured. These gnomes followed the style of the 1937 depiction of the seven dwarves in Snow White and the Seven Dwarfs by Disney. This "Disneyfied" image of the gnome was built upon[citation needed] by the illustrated children's book classic Gnomes (1976), in the original Dutch Leven en werken van de Kabouter, by author Wil Huygen and artist Rien Poortvliet, followed in 1981 by The Secret Book of Gnomes. Garden gnomes share a resemblance to the Scandinavian tomte and nisse, and the Swedish term "tomte" can be translated as "gnome" in English.

Gnome-themed parks

[edit]
Gnome garden at the Wieliczka Salt Mine, Poland

Several gnome themed entertainment parks exist. Notable ones are:

Gnome parades

[edit]

Gnome parades are held annually at Atlanta's Inman Park Festival.[158] Numerous one-off gnome parades have been held, including in Savannah, Georgia (April 2012)[159] and Cleveland, Ohio (May 2011).[160]

Metaphorical uses

[edit]
  • The expression "Gnomes of Zurich", Swiss bankers pictured as diminutive creatures hoarding gold in subterranean vaults, was derived from a speech in 1956 by Harold Wilson, and gained currency in the 1960s (OED notes the New Statesman issue of 27 November 1964 as earliest attestation).
  • Architect Earl Young built a number of stone houses in Charlevoix, Michigan, that have been referred to as gnome homes.
  • A user of Wikipedia or any wiki who makes useful incremental edits without clamouring for attention is called a WikiGnome.[161]

See also

[edit]

Explanatory notes

[edit]

References

[edit]
Revisions and contributorsEdit on WikipediaRead on Wikipedia
from Grokipedia
GNoME, short for Graph Networks for Materials Exploration, is an artificial intelligence system developed by that uses to accelerate the discovery of new for applications in , , and . Announced on November 29, 2023, GNoME predicted 2.2 million new stable materials, of which approximately 380,000 were integrated into the Materials Project database. The system employs iterative cycles of training on existing to generate and filter candidate structures, focusing on thermodynamic stability and synthesizability to prioritize materials with practical potential. This approach has not only expanded the known materials database significantly but also enabled downstream applications, such as the A-Lab, an -guided robotic laboratory that automates the synthesis of predicted materials, including novel fast-charging . By leveraging , GNoME demonstrates how can transform from a labor-intensive field into a data-driven discipline, potentially unlocking innovations in and .

Overview

Definition and Purpose

GNoME, or Graph Networks for Materials Exploration, is an system developed by designed to accelerate the discovery of new materials through computational prediction of . It leverages to model and explore the vast chemical design space, enabling the identification of stable inorganic crystal structures that would be challenging to uncover via conventional experimental approaches. This system addresses the inefficiencies of traditional in , which are often slow and resource-intensive, by providing a scalable AI-driven alternative for generating novel candidates. The primary purpose of GNoME is to facilitate rapid exploration of potential materials for advanced technologies, with a specific emphasis on suitable for applications in batteries, , and . Unlike broader that may target diverse domains, GNoME is tailored to the domain of , prioritizing and synthesizability to bridge the gap between theoretical predictions and practical use. By simulating atomic interactions within , it aims to uncover structures that could enable breakthroughs in , , and . GNoME was announced on November 29, 2023, through a peer-reviewed paper published in and a accompanying blog post from , marking a significant milestone in AI-assisted scientific research. This launch highlighted its potential to transform by democratizing access to high-fidelity predictions, thereby reducing the time and cost associated with experimental validation.

Key Achievements

GNoME, developed by , achieved a major milestone by identifying 2.2 million stable crystal structures from over 10^9 candidates through the application of its , vastly expanding the known space of potential . This output represents a significant scale-up in , leveraging computational efficiency to explore structures that would otherwise require extensive experimental effort. Among these , approximately 380,000 novel were subsequently integrated into the Materials Project database, enhancing its utility for . These stable materials were validated through benchmarking against established external databases, including the Materials Project, confirming their and . The system's performance demonstrated an 80% success rate in predicting , a marked improvement over the 50% accuracy of prior algorithms, underscoring the reliability of GNoME's predictions. This enhanced precision, driven by the role of in modeling , enabled the discovery of diverse candidates for applications in energy and . Overall, GNoME's achievements equate to an estimated 800 years of traditional scientific progress in , highlighting its transformative potential in accelerating innovation.

Development

Historical Context

The discovery of new materials, particularly essential for technologies like , , and , has historically been constrained by the slow pace of and the immense vastness of the chemical search space, estimated to exceed possible . Traditional approaches relied on or incremental modifications to known structures, which are both time-intensive and limited in scope, often taking decades to identify viable candidates. These challenges underscored the need for in , as manual discovery could only explore a minuscule fraction of potential compositions. GNoME's development was influenced by earlier advancements in applied to , notably 's for , which demonstrated the power of in solving complex inverse design problems. In the , pioneering efforts incorporated for tasks like predicting , such as and stability, building on databases like the Materials Project to train initial models. These foundational works highlighted the potential of to navigate but were limited by data scarcity and computational scale, paving the way for more ambitious . The GNoME project was initiated by around 2020 and culminated in its announcement on November 29, 2023, driven by the urgent demand for novel materials to advance and . Motivated by the global push for , the effort integrated with to compress centuries of progress into months of computation. Key researchers leading the project included Amil Merchant, Simon Batzner, and other scientists, in collaboration with experts from institutions like , focusing on . Prior to GNoME, gaps in persisted, with much of the pre-2023 literature emphasizing and that failed to capture the diversity of stable crystals, leaving vast regions of the materials landscape unexplored. This incomplete coverage in existing knowledge bases, often reliant on outdated or inefficient methods, motivated GNoME's emphasis on . As an extension, GNoME's predictions have informed efforts like the A-Lab.

Technical Architecture

GNoME's technical architecture is built around an ensemble of designed to generate and evaluate candidate for . The system leverages a that integrates structure generation, property prediction, and stability assessment to explore vast chemical spaces efficiently. At its core, the architecture employs GNNs to represent as , where are and or are edges, enabling the model to capture the relational and geometric properties essential for predicting material behaviors. The training data for GNoME is sourced from the Materials Project database, encompassing approximately 69,000 stable inorganic crystal structures from the 2018 version, which provide a diverse foundation for learning patterns in . This dataset allows the models to generalize across various and configurations, focusing on elements relevant to applications like and . The consists of multiple GNN variants, each specialized for tasks such as predicting formation energies, electronic properties, and structural relaxations, with outputs combined to enhance prediction accuracy and robustness. Structure generation in GNoME utilizes two complementary approaches to diversify the exploration of chemical space. The first method involves perturbing known stable structures from the to generate similar candidates, introducing controlled variations in and to discover incremental improvements. The second approach employs within predefined chemical subspaces, allowing for the discovery of entirely novel structures that may not resemble existing ones. These methods collectively enable the system to propose over 2 million candidate structures, with the evaluating their viability through integrated property predictions. The computational scale of GNoME's training and inference processes relies on Google's large-scale computing infrastructure, including thousands of , which facilitated the evaluation of millions of candidates in a computationally efficient manner. This setup underscores the system's ability to accelerate by simulating years of human-led research in a fraction of the time. Additionally, as of 2023, the dataset of discovered materials from GNoME has been made available on , promoting further research, though the full codebase for the architecture is not released.

Methodology

Graph Neural Networks

In GNoME, are represented as where serve as and or interactions function as edges, enabling a mathematical capture of the inherent in . This is particularly suited for modeling the spatial and relational data in , which often exhibit that traditional grid-based methods, such as , struggle to handle efficiently, thus allowing for accurate predictions of previously unseen . The architecture employed in GNoME relies on to propagate and update atomic features across the . In these layers, each node's is refined by aggregating information from its neighboring nodes, following a general of the form hv(l+1)=ϕ(hv(l),uN(v)ψ(hu(l),hv(l),euv)),h_v^{(l+1)} = \phi \left( h_v^{(l)}, \bigoplus_{u \in \mathcal{N}(v)} \psi (h_u^{(l)}, h_v^{(l)}, e_{uv}) \right),
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