An Enterprise Information System (EIS) is any kind of information system which improves the functions of enterprise business processes through integration. This means typically offering high quality service, dealing with large volumes of data and capable of supporting some large and possibly complex organization or enterprise. An EIS must be able to be used by all parts and all levels of an enterprise. The word enterprise can have various connotations. Frequently the term is used only to refer to very large organizations such as multi-national companies or public-sector organizations. However, the term may be used to mean virtually anything, by virtue of it having become a corporate-speak buzzword. == Purpose == Enterprise information systems provide a technology platform that enables organizations to integrate and coordinate their business processes on a robust foundation. An EIS is currently used in conjunction with customer relationship management and supply chain management to automate business processes. An enterprise information system provides a single system that is central to the organization that ensuring information can be shared across all functional levels and management hierarchies. An EIS can be used to increase business productivity and reduce service cycles, product development cycles and marketing life cycles. It may be used to amalgamate existing applications. Other outcomes include higher operational efficiency and cost savings. Financial value is not usually a direct outcome from the implementation of an enterprise information system. == Design stage == At the design stage the main characteristic of EIS efficiency evaluation is the probability of timely delivery of various messages such as command, service, etc. == Information systems == Enterprise systems create a standard data structure and are invaluable in eliminating the problem of information fragmentation caused by multiple information systems within an organization. An EIS differentiates itself from legacy systems in that it is self-transactional, self-helping and adaptable to general and specialist conditions. Unlike an enterprise information system, legacy systems are limited to department-wide communications. A typical enterprise information system would be housed in one or more data centers, would run enterprise software, and could include applications that typically cross organizational borders such as content management systems.
Noom
Noom is an American privately held digital health company that provides weight management and behavioral health services through a subscription-based mobile application. Founded in 2008, the company combines behavior change psychology with access to weight loss medications and dietary supplements. The platform incorporates elements of cognitive behavioral therapy (CBT) and goal-setting strategies, and its programs are designed to support users in developing healthier habits. In addition to its weight management services, Noom has expanded to offer products related to stress management and general wellness. Noom has received both praise and criticism. Supporters cite its focus on mental and behavioral aspects of health, while critics have raised concerns about the accuracy of its calorie goals, the use of algorithmically determined weight loss targets, and questions about the qualifications of some of its coaching staff. == History == Noom was founded in 2008 by friends Artem Petakov and Saeju Jeong. The company's mobile app officially launched in 2016. In 2025, Noom relocated its headquarters from New York City to Princeton, New Jersey. Petakov, a former software engineer at Google, currently leads Noom Ventures, while Jeong serves as Noom's Chairman. In 2023, Geoff Cook was appointed CEO of Noom. In 2019, Noom partnered with Novo Nordisk to offer patients prescribed the diabetes medication Saxenda one year of free access to the Noom platform. In 2020, Noom reported $400 million in revenue. As of April 2021, the company stated it employed approximately 3,000 people, including 2,700 coaches. == Services == === Noom App === The Noom app is the primary platform through which users engage with the company's services. Upon creating an account, users are prompted to provide physical information such as weight, height, and age, along with experiential data including lifestyle habits, personal goals, and perceived obstacles. Users log their meals and physical activity, and in return, the app delivers feedback through multiple channels: algorithmically generated insights, guidance from a human coach, peer interaction, educational articles, and interactive quizzes. The app has been reviewed by a range of media outlets, including newspapers such as the Chicago Tribune and USA Today; health information sources such as WebMD; and lifestyle magazines including Good Housekeeping. === Other services === In 2024, Noom launched Noom Vibe, a mobile application that encourages users to develop healthy habits by awarding "vibes"—a form of points—for activities such as walking or meeting step goals. That same year, Noom introduced a 3D body scanning feature within its app, designed to help users monitor physical changes and prevent muscle atrophy during weight loss. Also in 2024, Noom began offering a compounded GLP-1 medication as part of its weight management program. The formulation includes the same active ingredient found in the anti-obesity medications Wegovy and Ozempic. == Research == In 2016, a study published in Scientific Reports analyzed data from approximately 36,000 users of the Noom app, of whom 78% were female and 22% male. The data were collected between October 2012 and April 2014. To be included in the analysis, users had to log their weight at least twice per month over a period of six consecutive months. The study found that 78% of participants self-reported weight loss while using the app. The median duration of weight reporting was 267 days (approximately nine months). The frequency of data logging was positively correlated with weight loss. Additionally, male users had a higher average starting BMI and reported greater average weight loss compared to female users. In 2017, the Centers for Disease Control and Prevention (CDC) recognized Noom as a certified diabetes prevention program, making it the first mobile health application to receive such designation. == Criticisms == === Health programs === Noom has been criticized for promoting elements of diet culture in its advertising campaigns. The app has also faced criticism for setting calorie goals that some users and experts have deemed inappropriately low, and for employing coaches who may lack formal qualifications as registered dietitians. Coaching has been described as relying heavily on canned responses. Upon sign-up, users are prompted to complete a questionnaire consisting of over 50 questions, which is used to generate a personalized program. In 2021, the UK-based organization Privacy International alleged that Noom, along with other diet platforms, used such lengthy surveys to attract users but did not always tailor the resulting programs to the collected data. The organization claimed that many users received the same or highly similar programs regardless of their answers. It also raised concerns about the handling of potentially sensitive health data, alleging a lack of transparency regarding the sharing of such data with third parties, including Facebook, potentially in violation of the European General Data Protection Regulation (GDPR). In a follow-up investigation in 2023, Privacy International reported that Noom had made "significant positive changes" to its data handling practices. However, the organization noted that data was still being shared with Facebook and concluded that "there is still room for improvement." === Billing issues lawsuit === In August 2020, the Better Business Bureau (BBB) issued a warning to consumers regarding Noom's subscription practices. The BBB reported that numerous customers had filed complaints about difficulties canceling their subscriptions after the free trial period, as well as challenges in contacting the company to request refunds. In February 2022, Noom agreed to a $62 million settlement in a class-action lawsuit that alleged the company had used deceptive billing practices related to automatic subscription renewals. Qualifying claimants received approximately $167 each. During the case, a former senior software engineer at Noom testified that the cancellation process was intentionally designed to be difficult, with the goal of generating revenue from customers who failed to cancel in time. In response, Noom stated that it had taken steps to improve transparency around its pricing and policies, including the implementation of self-service cancellation tools.
World model (artificial intelligence)
A world model in artificial intelligence is a machine learning system that builds an internal representation of an environment. The model predicts how that environment changes over time in response to actions. Researchers design world models to help agents plan, reason, and act without constant real-world trial and error. World models differ from systems that merely classify or generate outputs. They simulate dynamics such as physics, object interactions, and causality. Early ideas date to the 1990s. Modern versions power robots, autonomous driving, and interactive video generation. == History == Jürgen Schmidhuber introduced the term world model in machine learning in 1990. He proposed recurrent neural networks that predict future states from observations and use those predictions to train agents. David Ha and Schmidhuber revived the concept in a 2018 paper. Their agents learned to drive virtual cars and play video games inside self-generated simulations. Yann LeCun advanced the idea in a 2022 position paper titled "A Path Towards Autonomous Machine Intelligence". He argued that intelligence requires predictive models of the world rather than pure pattern matching. LeCun proposed the joint embedding predictive architecture (JEPA) as a practical foundation. LeCun and collaborators developed several JEPA variants. V-JEPA 2 reached state-of-the-art performance on video understanding and physical reasoning at the time. It supports zero-shot robot control in unfamiliar environments. Introduced in March 2026, LeWorldModel trains stably end-to-end from raw pixels and uses two loss terms and avoids hand-crafted heuristics. LeCun founded Advanced Machine Intelligence Labs in 2026 to further develop world models. Google DeepMind introduced Genie in 2024. The model learned interactive environments from unlabeled internet videos. Genie 2 followed in late 2024 and added three-dimensional generation. The Genie series set benchmarks for general-purpose simulation. Genie 3 was introduced in August 2025. It produces photorealistic, real-time interactive worlds from text prompts which are displayed at 24 frames per second and explored in real time with text or image prompts. The model supports persistent three-dimensional worlds and real-time interaction. Waymo adopted Genie 3 in February 2026 and used it to create a specialized world model for autonomous driving simulation, called the Waymo World Model. It produces synchronized camera and lidar outputs and creates edge cases that real robotaxis rarely encounter. The edge cases were reported to be unusual by PCMag. General Intuition announced a $133.7 million seed round. World Labs raised $1 billion. AMI raised $1.03 billion. In April 2026, Alibaba announced Happy Oyster, its world model designed for real-time and “flowy” world model. It includes a directing mode for world building based on text and image prompts and a wandering mode for exploring the resulting world. It can generate 3-minute in-world video clips. Also in April, World Labs, co-founded by Li Fei Fei, unveiled Spark 2.0, an open-source 3D Gaussian splatting rendering engine that targets smartphone-class devices. In June 2026, Nvidia released Cosmos 3, a family of open-weight models. It combines previously independent physical reasoning, world simulation, and action generation. Cosmos 3 integrates can process and generate text, image, video, audio, and action sequences. The model employs a Mixture-of-Transformers" (MoT) approach. An autoregressive (AR) transformer handles reasoning and next-token prediction, while a diffusion transformer (DT) does multimodal generation. Encoders (ViT for vision, VAE for visual/audio, and domain-specific for actions) and generate a shared representation space using 3D multi-dimensional rotary position embedding (mRoPE) for spatial and temporal information. The family includes Cosmos3-Nano (16B parameters) for workstations; Cosmos3-Super (64B parameters) for research. == Architecture == World models process raw sensory data such as video frames or lidar scans. They compress this input into compact latent representations. The system then predicts future representations rather than pixel-by-pixel reconstructions. Many modern world models use joint embedding predictive architecture (JEPA). An encoder turns observations into embeddings. A predictor estimates one or a suite of embeddings from the current one and an action. In some cases a critic chooses one embedding as the best result. A regularizer keeps embeddings well-behaved. The model trains by minimizing prediction error in embedding space. This approach avoids the high cost of generating every detail. Some architectures add explicit components. A fast reactive path handles immediate responses. A slower deliberative path performs longer-horizon planning. Video prediction accuracy or robot success rates are key metrics, but do not always predict real-world performance. Generative world models such as Genie 3 combine these with a simulator. They accept text prompts or layouts and output consistent video, lidar, or three-dimensional scenes. World models often train with self-supervised learning. They use large unlabeled datasets of video or robot interactions. Self-supervised learning can speed learning. Reinforcement learning can fine-tune a model for specific tasks. == Applications == World models support robot learning. Agents train inside simulations and transfer skills to the physical world. This reduces the need for dangerous or expensive real-world trials. Autonomous vehicles use world models to test rare events. Waymo's system simulates tornadoes or unusual pedestrian behavior. Companies train planners without putting vehicles on public roads. Interactive entertainment benefits from world models. Genie 3 lets users generate playable environments from simple descriptions. Game studios prototype levels faster. Scientific simulation gains from these models. Researchers model physical systems or biological processes at scale. Planners in logistics or urban design test strategies inside accurate digital twins. == Comparison with large language models == Both world models and large language models (LLMs) use inferencing on their inputs to make predictions. LLMs operate on textual inputs. They predict the next token in text sequences. They excel at language-oriented tasks such as translation or summarization. However, they lack understanding of physics. World models operate on sensor inputs such as pixels. They predict state changes in that data in latent space. This design supports planning and causal reasoning. LLMs generate fluent text but often fail at consistent physical predictions. Their architecture employs transformers with refinements such as mixture of experts. World models divide an inferencing task into work performed by encoders, predictors, simulators, and other pieces. They typically handle multimodal inputs such as video, lidar, radar, and audio, guided by textual prompting. LLMs power chatbots and code assistants. World models drive embodied agents that act in dynamic environments, such as autonomous driving. The two may be combined in hybrid systems. For example, a LLM handles instructions, while a world model manages low-level control. World model proponents such as LeCun claim that because LLMs are trained only on text, they have no ability to predict anything beyond text, such as real-world events. == Benchmarks == World model benchmarks test physical understanding, long-term consistency, planning, and generalization from sensor data. Meta introduced three benchmarks for V-JEPA 2. IntPhys 2 measures a model's ability to detect physics violations. It presents pairs of videos that diverge when one breaks physical rules. Humans score near 100% accuracy. V-JEPA 2 achieves little better than random chance on many conditions. Minimal Video Pairs (MVPBench) tests physical understanding through multiple-choice questions based on short video clips. It probes object interactions and causality. Something-Something tests action recognition. Epic-Kitchens-100 tests human action anticipation. DeepMind benchmark: Interactive evaluation measures consistency over minutes of interaction, memory of off-screen objects, and response to user actions or text prompts. Waymo benchmark: Output generation quality: Metrics include realism, controllability (via text prompts), and usefulness for training planners in simulated worlds. However, pixel reconstruction error rate with episodic rewards often fails. Other: Epic-Kitchens-100 (often measured with Recall@5) Ego4D 50 Salads, Breakfast, etc. Potential benchmarks: Zero-shot transfer to robots Long-horizon planning Implausible prediction rate
Self-supervised learning
Self-supervised learning (SSL) is a paradigm in machine learning where a model is trained on a task using the data itself to generate supervisory signals, rather than relying on externally-provided labels. In the context of neural networks, self-supervised learning aims to leverage inherent structures or relationships within the input data to create meaningful training signals. SSL tasks are designed so that solving them requires capturing essential features or relationships in the data. The input data is typically augmented or transformed in a way that creates pairs of related samples, where one sample serves as the input, and the other is used to formulate the supervisory signal. This augmentation can involve introducing noise, cropping, rotation, or other transformations. Self-supervised learning more closely imitates the way humans learn to classify objects. During SSL, the model learns in two steps. First, the task is solved based on an auxiliary or pretext classification task using pseudo-labels, which help to initialize the model parameters. Next, the actual task is performed with supervised or unsupervised learning. Self-supervised learning has produced promising results in recent years, and has found practical application in fields such as audio processing, and is being used by Facebook and others for speech recognition. == Pseudo-labels == Pseudo-labels are automatically generated labels that a model assigns to unlabeled data based on its own predictions. They are widely used in self-supervised and semi-supervised learning, where ground-truth annotations are limited or unavailable. By treating predicted labels as surrogate ground truth, learning algorithms can make use of large quantities of unlabeled data in the training process. Pseudo-labeling also plays an important role in systems that must adapt to concept drift, where the statistical properties of the data change over time. In these scenarios, the model may detect that an incoming instance deviates from previously learned behavior. The system then generates a classification result for that instance, and this predicted class is used as a pseudo-label for updating or retraining model components that are becoming outdated. This approach enables continuous adaptation in dynamic environments without requiring manual annotation. In many adaptive learning pipelines, pseudo-labels are chosen when the classifier produces sufficiently confident predictions, reducing the risk of propagating errors. These pseudo-labeled instances are then incorporated into training to refresh or evolve the model's understanding of emerging data patterns, particularly when existing components show signs of “aging” due to drift or distributional shifts. This strategy reduces reliance on manual labeling while helping maintain long-term model performance. == Types == === Autoassociative self-supervised learning === Autoassociative self-supervised learning is a specific category of self-supervised learning where a neural network is trained to reproduce or reconstruct its own input data. In other words, the model is tasked with learning a representation of the data that captures its essential features or structure, allowing it to regenerate the original input. The term "autoassociative" comes from the fact that the model is essentially associating the input data with itself. This is often achieved using autoencoders, which are a type of neural network architecture used for representation learning. Autoencoders consist of an encoder network that maps the input data to a lower-dimensional representation (latent space), and a decoder network that reconstructs the input from this representation. The training process involves presenting the model with input data and requiring it to reconstruct the same data as closely as possible. The loss function used during training typically penalizes the difference between the original input and the reconstructed output (e.g. mean squared error). By minimizing this reconstruction error, the autoencoder learns a meaningful representation of the data in its latent space. === Contrastive self-supervised learning === For a binary classification task, training data can be divided into positive examples and negative examples. Positive examples are those that match the target. For example, if training a classifier to identify birds, the positive training data would include images that contain birds. Negative examples would be images that do not. Contrastive self-supervised learning uses both positive and negative examples. The loss function in contrastive learning is used to minimize the distance between positive sample pairs, while maximizing the distance between negative sample pairs. An early example uses a pair of 1-dimensional convolutional neural networks to process a pair of images and maximize their agreement. Contrastive Language-Image Pre-training (CLIP) allows joint pretraining of a text encoder and an image encoder, such that a matching image-text pair have image encoding vector and text encoding vector that span a small angle (having a large cosine similarity). InfoNCE (Noise-Contrastive Estimation) is a method to optimize two models jointly, based on Noise Contrastive Estimation (NCE). Given a set X = { x 1 , … x N } {\displaystyle X=\left\{x_{1},\ldots x_{N}\right\}} of N {\displaystyle N} random samples containing one positive sample from p ( x t + k ∣ c t ) {\displaystyle p\left(x_{t+k}\mid c_{t}\right)} and N − 1 {\displaystyle N-1} negative samples from the 'proposal' distribution p ( x t + k ) {\displaystyle p\left(x_{t+k}\right)} , it minimizes the following loss function: L N = − E X [ log f k ( x t + k , c t ) ∑ x j ∈ X f k ( x j , c t ) ] {\displaystyle {\mathcal {L}}_{\mathrm {N} }=-\mathbb {E} _{X}\left[\log {\frac {f_{k}\left(x_{t+k},c_{t}\right)}{\sum _{x_{j}\in X}f_{k}\left(x_{j},c_{t}\right)}}\right]} === Non-contrastive self-supervised learning === Non-contrastive self-supervised learning (NCSSL) uses only positive examples. Counterintuitively, NCSSL converges on a useful local minimum rather than reaching a trivial solution, with zero loss. For the example of binary classification, it would trivially learn to classify each example as positive. Effective NCSSL requires an extra predictor on the online side that does not back-propagate on the target side. === Joint-Embedding and Predictive Architectures === A major class of self-supervised learning moves beyond contrastive pairs, instead maximizing the agreement between views while preventing collapse through statistical constraints. Rooted in Deep Canonical Correlation Analysis (Deep CCA), this approach includes Joint-Embedding Architectures (JEA) like Barlow Twins and VICReg, which enforce covariance constraints to learn invariant representations without negative sampling. Deep Latent Variable Path Modelling (DLVPM) generalizes this to multimodal systems, using path models to enforce correlation and orthogonality across diverse data types. In 2022 Yann LeCun introduced Joint-Embedding Predictive Architectures (JEPA) as a step towards decision making, reasoning, and autonomous human intelligence in machines, including self-improvement through autonomous learning. Founded in representation learning, LeCun included the concept of a “world model” in JEPA which aims to enable machines to replicate human intellect by providing machines with a concept for the world in which they exist. Unlike autoencoders, JEPAs operate entirely in latent space, avoiding pixel-level noise to focus on semantic structure. Rather than just learning invariance, JEPAs learn by predicting masked latent representations from visible context. JEPA has been applied to domains such as image analysis, audio processing, and motion in images and video. == Comparison with other forms of machine learning == SSL belongs to supervised learning methods insofar as the goal is to generate a classified output from the input. At the same time, however, it does not require the explicit use of labeled input-output pairs. Instead, correlations, metadata embedded in the data, or domain knowledge present in the input are implicitly and autonomously extracted from the data. These supervisory signals, extracted from the data, can then be used for training. SSL is similar to unsupervised learning in that it does not require labels in the sample data. Unlike unsupervised learning, however, learning is not done using inherent data structures. Semi-supervised learning combines supervised and unsupervised learning, requiring only a small portion of the learning data be labeled. In transfer learning, a model designed for one task is reused on a different task. Training an autoencoder intrinsically constitutes a self-supervised process, because the output pattern needs to become an optimal reconstruction of the input pattern itself. However, in current jargon, the term 'self-supervised' often refers to tasks based on a pretext-task training setup
Machine-learned interatomic potential
Machine-learned interatomic potentials (MLIPs), or simply machine learning potentials (MLPs), are interatomic potentials constructed using machine learning. Beginning in the 1990s, researchers have employed such programs to construct interatomic potentials by mapping atomic structures to their potential energies. These potentials are referred to as MLIPs or MLPs. Such machine learning potentials promised to fill the gap between density functional theory, a highly accurate but computationally intensive modelling method, and empirically derived or intuitively-approximated potentials, which were far lighter computationally but substantially less accurate. Improvements in artificial intelligence technology heightened the accuracy of MLPs while lowering their computational cost, increasing the role of machine learning in fitting potentials. Machine learning potentials began by using neural networks to tackle low-dimensional systems. While promising, these models could not systematically account for interatomic energy interactions; they could be applied to small molecules in a vacuum, or molecules interacting with frozen surfaces, but not much else – and even in these applications, the models often relied on force fields or potentials derived empirically or with simulations. These models thus remained confined to academia. Modern neural networks construct highly accurate and computationally light potentials, as theoretical understanding of materials science was increasingly built into their architectures and preprocessing. Almost all are local, accounting for all interactions between an atom and its neighbor up to some cutoff radius. There exist some nonlocal models, but these have been experimental for almost a decade. For most systems, reasonable cutoff radii enable highly accurate results. Almost all neural networks intake atomic coordinates and output potential energies. For some, these atomic coordinates are converted into atom-centered symmetry functions. From this data, a separate atomic neural network is trained for each element; each atomic network is evaluated whenever that element occurs in the given structure, and then the results are pooled together at the end. This process – in particular, the atom-centered symmetry functions which convey translational, rotational, and permutational invariances – has greatly improved machine learning potentials by significantly constraining the neural network search space. Other models use a similar process but emphasize bonds over atoms, using pair symmetry functions and training one network per atom pair. Other models to learn their own descriptors rather than using predetermined symmetry-dictating functions. These models, called message-passing neural networks (MPNNs), are graph neural networks. Treating molecules as three-dimensional graphs (where atoms are nodes and bonds are edges), the model takes feature vectors describing the atoms as input, and iteratively updates these vectors as information about neighboring atoms is processed through message functions and convolutions. These feature vectors are then used to predict the final potentials. The flexibility of this method often results in stronger, more generalizable models. In 2017, the first-ever MPNN model (a deep tensor neural network) was used to calculate the properties of small organic molecules. == Gaussian Approximation Potential (GAP) == One popular class of machine-learned interatomic potential is the Gaussian Approximation Potential (GAP), which combines compact descriptors of local atomic environments with Gaussian process regression to machine learn the potential energy surface of a given system. To date, the GAP framework has been used to successfully develop a number of MLIPs for various systems, including for elemental systems such as carbon, silicon, phosphorus, and tungsten, as well as for multicomponent systems such as Ge2Sb2Te5 and austenitic stainless steel, Fe7Cr2Ni. == Equivariant graph neural networks == A significant limitation of early MPNNs was that they were not inherently equivariant to rotations and reflections of atomic structures — meaning predictions could change depending on how a molecule was oriented in space. Beginning around 2021, a new class of models addressed this by incorporating equivariance directly into the message-passing layers using spherical harmonics and irreducible representations. Notable examples include NequIP (2021), MACE (2022), and GemNet-OC (2022). These equivariant architectures proved substantially more data-efficient and accurate than their predecessors, and became the dominant paradigm for high-accuracy MLIPs. == Universal MLIPs and large-scale datasets == Early MLIPs were system-specific, trained on a few thousand structures of a single material. A major shift occurred with the creation of large, chemically diverse datasets enabling models that generalize across many elements, bonding environments, and application domains — so-called universal MLIPs. A key driver was the Open Catalyst Project (OC20, OC22), a collaboration between Meta AI (FAIR) and Carnegie Mellon University launched in 2020. OC20 comprises approximately 1.3 million DFT relaxations across 82 elements, designed to accelerate the discovery of catalysts for renewable energy applications. It was among the first datasets large enough to train GNNs that generalize across diverse chemical systems, and established a widely-used benchmark for the field. A subsequent dataset, Open Direct Air Capture (OpenDAC 2023 and OpenDAC 2025), applied the same approach to carbon capture, providing a large computational database of metal-organic frameworks and sorbent candidates evaluated for CO₂ capture, generated using nearly 400 million CPU hours of quantum chemistry calculations in collaboration with Georgia Tech. These datasets revealed a new challenge: the GNN architectures most effective for atomic simulations were memory-intensive, as they model higher-order interactions between triplets or quadruplets of atoms, making it difficult to scale model size. Graph Parallelism, introduced by Sriram et al. (ICLR 2022), addressed this by distributing a single input graph across multiple GPUs — a distinct strategy from data parallelism (which distributes training examples) or model parallelism (which distributes layers). This enabled training GNNs with hundreds of millions to billions of parameters for the first time. Building on these foundations, Meta FAIR released the Universal Model for Atoms (UMA) in 2025, trained on approximately 500 million unique 3D atomic structures spanning molecules, materials, and catalysts — the largest training run to date for an MLIP. UMA introduced a Mixture of Linear Experts (MoLE) architecture, enabling one model to learn from datasets generated by different DFT codes and settings without significant inference overhead. It matches or surpasses specialized models across catalysis, materials, and molecular benchmarks without task-specific fine-tuning, and has been described as marking a "pre/post-UMA" divide in the field. == Applications == Catalyst discovery: MLIPs have significantly accelerated the computational screening of heterogeneous catalysts by replacing expensive DFT relaxations with fast neural network surrogates. The Open Catalyst Project explicitly targets this application, aiming to identify new catalysts for green hydrogen production and other renewable energy reactions. Carbon capture: The OpenDAC project applies universal MLIPs to screening sorbent materials for direct air capture of CO₂, a key technology for climate change mitigation. AI-accelerated screening allows evaluation of orders of magnitude more candidate materials than traditional DFT workflows. Drug discovery and molecular design: MLIPs are increasingly used in pharmaceutical research to model molecular conformations and binding energies. The Open Molecules 2025 (OMol25) dataset, released by Meta FAIR in 2025, provides high-accuracy calculations for a large set of molecular systems to support this use case. Materials discovery: Universal MLIPs enable high-throughput screening of novel inorganic materials, including battery electrolytes, semiconductors, and superconductors, by rapidly estimating stability and properties across large chemical spaces.
Retrieval-augmented generation
Retrieval-augmented generation (RAG) is a technique that enables large language models (LLMs) to retrieve and incorporate new information from external data sources. With RAG, LLMs first refer to a specified set of documents, then respond to user queries. These documents supplement information from the LLM's pre-existing training data. This allows LLMs to use domain-specific and/or updated information that is not available in the training data. For example, this enables LLM-based chatbots to access internal company data or generate responses based on authoritative sources. RAG improves LLMs by incorporating information retrieval before generating responses. Unlike LLMs that rely on static training data, RAG pulls relevant text from databases, uploaded documents, or web sources. According to Ars Technica, "RAG is a way of improving LLM performance, in essence by blending the LLM process with a web search or other document look-up process to help LLMs stick to the facts." This method helps reduce AI hallucinations, which have caused chatbots to describe policies that don't exist, or recommend nonexistent legal cases to lawyers that are looking for citations to support their arguments. RAG also reduces the need to retrain LLMs with new data, saving on computational and financial costs. Beyond efficiency gains, RAG also allows LLMs to include sources in their responses, so users can verify the cited sources. This provides greater transparency, as users can cross-check retrieved content to ensure accuracy and relevance. The term retrieval-augmented generation (RAG) was introduced in a 2020 paper that described combining a parametric language model with a non-parametric external memory accessed through retrieval at inference time. == RAG and LLM limitations == LLMs can provide incorrect information. For example, when Google first demonstrated its LLM tool "Google Bard" (later re-branded to Gemini), the LLM provided incorrect information about the James Webb Space Telescope. This error contributed to a $100 billion decline in Google's stock value. RAG is used to prevent these errors, but it does not solve all the problems. For example, LLMs can generate misinformation even when pulling from factually correct sources if they misinterpret the context. MIT Technology Review gives the example of an AI-generated response stating, "The United States has had one Muslim president, Barack Hussein Obama." The model retrieved this from an academic book rhetorically titled Barack Hussein Obama: America's First Muslim President? The LLM did not "know" or "understand" the context of the title, generating a false statement. LLMs with RAG are programmed to prioritize new information. This technique has been called "prompt stuffing." Without prompt stuffing, the LLM's input is generated by a user; with prompt stuffing, additional relevant context is added to this input to guide the model's response. This approach provides the LLM with key information early in the prompt, encouraging it to prioritize the supplied data over pre-existing training knowledge. == Process == Retrieval-augmented generation (RAG) enhances large language models (LLMs) by incorporating an information-retrieval mechanism that allows models to access and utilize additional data beyond their original training set. Ars Technica notes that "when new information becomes available, rather than having to retrain the model, all that's needed is to augment the model's external knowledge base with the updated information" ("augmentation"). IBM states that "in the generative phase, the LLM draws from the augmented prompt and its internal representation of its training data to synthesize" an answer. === RAG key stages === Typically, the data to be referenced is converted into LLM embeddings, numerical representations in the form of a large vector space. RAG can be used on unstructured (usually text), semi-structured, or structured data (for example knowledge graphs). These embeddings are then stored in a vector database to allow for document retrieval. Given a user query, a document retriever is first called to select the most relevant documents that will be used to augment the query. This comparison can be done using a variety of methods, which depend in part on the type of indexing used. The model feeds this relevant retrieved information into the LLM via prompt engineering of the user's original query. Newer implementations (as of 2023) can also incorporate specific augmentation modules with abilities such as expanding queries into multiple domains and using memory and self-improvement to learn from previous retrievals. Finally, the LLM can generate output based on both the query and the retrieved documents. Some models incorporate extra steps to improve output, such as the re-ranking of retrieved information, context selection, and fine-tuning. == Applications == Retrieval-augmented generation is used in applications where generated responses need to be grounded in external or frequently updated information. Commonly cited use cases include search engines, question-answering systems, customer support chatbots, enterprise knowledge assistants, content generation, recommendation systems, retail and e-commerce, and industrial or manufacturing workflows. In healthcare, RAG has been studied as a way to ground large language model outputs in external medical knowledge sources, although reviews have noted continuing challenges around evaluation, ethics, and clinical reliability. == Improvements == Improvements to the basic process above can be applied at different stages in the RAG flow. === Encoder === These methods focus on the encoding of text as either dense or sparse vectors. Sparse vectors, which encode the identity of a word, are typically dictionary-length and contain mostly zeros. Dense vectors, which encode meaning, are more compact and contain fewer zeros. Various enhancements can improve the way similarities are calculated in the vector stores (databases). Performance improves by optimizing how vector similarities are calculated. Dot products enhance similarity scoring, while approximate nearest neighbor (ANN) searches improve retrieval efficiency over K-nearest neighbors (KNN) searches. Accuracy may be improved with Late Interactions, which allow the system to compare words more precisely after retrieval. This helps refine document ranking and improve search relevance. Hybrid vector approaches may be used to combine dense vector representations with sparse one-hot vectors, taking advantage of the computational efficiency of sparse dot products over dense vector operations. Other retrieval techniques focus on improving accuracy by refining how documents are selected. Some retrieval methods combine sparse representations, such as SPLADE, with query expansion strategies to improve search accuracy and recall. === Retriever-centric methods === These methods aim to enhance the quality of document retrieval in vector databases: Pre-training the retriever using the Inverse Cloze Task (ICT), a technique that helps the model learn retrieval patterns by predicting masked text within documents. Supervised retriever optimization aligns retrieval probabilities with the generator model's likelihood distribution. This involves retrieving the top-k vectors for a given prompt, scoring the generated response's perplexity, and minimizing KL divergence between the retriever's selections and the model's likelihoods to refine retrieval. Reranking techniques can refine retriever performance by prioritizing the most relevant retrieved documents during training. === Language model === By redesigning the language model with the retriever in mind, a 25-time smaller network can get comparable perplexity as its much larger counterparts. Because it is trained from scratch, this method (Retro) incurs the high cost of training runs that the original RAG scheme avoided. The hypothesis is that by giving domain knowledge during training, Retro needs less focus on the domain and can devote its smaller weight resources only to language semantics. The redesigned language model is shown here. It has been reported that Retro is not reproducible, so modifications were made to make it so. The more reproducible version is called Retro++ and includes in-context RAG. === Chunking === Chunking involves various strategies for breaking up the data into vectors so the retriever can find details in it. Three types of chunking strategies are: Fixed length with overlap. This is fast and easy. Overlapping consecutive chunks helps to maintain semantic context across chunks. Syntax-based chunks can break the document up into sentences. Libraries such as spaCy or NLTK can also help. File format-based chunking. Certain file types have natural chunks built in, and it's best to respect them. For example, code files are best chunked and vectorized as whole functions or classes. HTML files should leave