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LSKnowledge: Nexus for Transformative Scientific Discoveries and Enhanced Information Retrieval in NASA Life Sciences Portal

We stand at the brink of an extraordinary transformation in the field of AI, driven by the convergence of generative AI and semantic technologies (e.g., knowledge graphs). This fusion holds immense potential and could redefine the future of scientific exploration, particularly in the realm of life sciences research. In this context, we shed light on the pivotal roles that Large Language Models (LLMs) and semantic technologies will play in advancing research, unearthing and comprehending life sciences information through innovative approaches, and empowering researchers to extract insights from NASA's extensive Life Sciences Data Archive. Within the NASA Life Sciences Portal (NLSP), the integration of LLMs and semantic technologies unlocks several advanced capabilities. First and foremost, it equips scientists with sophisticated tools to manage the ever-expanding wealth of scientific literature and data. Furthermore, it facilitates the creation of knowledge graphs that visually represent intricate relationships among biological entities, enabling comprehensive systems-level analysis. Additionally, the fusion of generative AI (including LLMs) and semantic technology can significantly benefit NASA's life sciences research by enhancing information retrieval and hypothesis generation. These tools enhance natural language understanding, facilitating knowledge discovery within NLSP. The overarching vision is to establish a cohesive knowledge ecosystem within NLSP, harnessing the power of LLMs and semantic technologies to synthesize and cross-reference data from diverse missions, disciplines, and research domains. This holistic approach ultimately deepens our understanding of how space environments impact life sciences data. To advance this initiative, we have launched LSKnowledge, aimed at enhancing the information retrieval capabilities of NLSP. In the short term, our primary goal is to develop a robust semantic search system. This system will empower HRP (Human Research Program) researchers to navigate NLSP data repositories more efficiently and precisely, catalyzing the process of hypothesis formation and scientific breakthroughs. To achieve this, we have employed pre-trained LLMs as part of a semantic search tool that can rank and highlight the most relevant records for user queries. To assess the tool's performance, we have curated a set of approximately 200 queries from subject matter experts (SMEs) and manually ranked the top records retrieved by both the current search system and the new semantic search, using SME judgments as the gold standard for relevancy. Herein, we present the results of our comparative analysis and illustrate how these findings have informed the fine-tuning of the system for enhanced performance. In the long term, our objectives include 1) retrieving publicly available information and integrating it with NLSP data to provide more precise answers to user queries, and 2) incorporating non-textual information from the NLSP database into our approach. In conclusion, the fusion of LLMs and semantic technologies within NLSP represents a pioneering stride towards reshaping the landscape of scientific discovery. This synergy not only equips researchers with powerful tools to navigate the burgeoning sea of information but also facilitates a deeper understanding of complex biological relationships, all while accelerating hypothesis generation and knowledge discovery. Through our initiative, LSKnowledge, we are committed to continually refining and expanding these capabilities, with the aim of not only enhancing information retrieval but also integrating diverse data sources to provide more precise insights. In the grand vision, NLSP strives to become the cornerstone of a comprehensive knowledge ecosystem, unraveling the enigmatic intricacies of life sciences phenomena in the context of space environments.

Life Sciences↗

BERT-E: An Earth Science Specific Language Model for Domain-Specific Downstream Tasks

Language models are fast approaching human-like understanding of natural language. They have been shown to perform equally, if not better than humans in a myriad of language tasks such as next sentence prediction, question answering, entity extraction etc. Part of the success of the models are owed to the fact that they have been trained on varied natural language text over the internet. By virtue of this, the models do not contain the semantic information present in Earth science literature. Hence, there is a lot of room for improvement when using these models for earth science specific tasks. In this work, we showcase our approach on developing Earth science specific language models. Furthermore, we justify the need for such a model by using the embeddings generated by the model to perform a domain specific downstream task that performs better than a generic model.

Prasanna Koirala↗

Perceive: Proactive Exploration of Risky Concept Emergence for Identifying Vulnerabilities & Exposures

National databases that collect various kinds of textual threat reports such as ASRS, CERT, and NVD manually process their reports individually. They then offer data products to disseminate the aggregate information, like newsletters, alerts or individual report searching. The goal of this research is to connect these individual reports thematically and temporally to identify emerging or recurring threats, by analyzing large collections of text, source code, collaboration and communication patterns. This capability, I argue, enables us to identify the emergence and recurrence of such themes, and the contexts in which they re-occur, facilitating faster and more capable mitigation. I propose two models to shed light on this goal: An empirical model of vulnerabilities as bugs, the commit flow model, and one of the vulnerabilities and aviation safety threats as topics, the topic flow model. I use as gold standard existing manual workflows in both domains, reflected in the existing data products by these organizations, and empirically evaluate if the automated model scan match or outperform existing manual practices.

ASRS↗

Understanding Machine Learning in Earth Science: A Natural Language Processing Approach

Machine learning (ML) is being increasingly utilized in Earth science research. Benefits of ML include efficiency, reduction of human error, and ability to extract hidden patterns within data. However, the mutual lack of each other’s domain knowledge by ML and Earth science stands as a barrier to timely and effective implementation. Earth science, in particular, faces challenges in generating sample data, compared to those of traditional ML problems such as face recognition or stock predictions, where data is abundant and not lacking in ground truth, which is necessary for labeling. Earth science data are more varying in formats, such as HDF5 and image resolutions, and are not standardized across instruments, even within a given Earth science discipline. Previous studies have been done to outline the specific challenges that Earth science faces with ML, while others have focused on using existing publications to mine information efficiently. Other resources such as Scikit-Learn have developed decision trees for choosing appropriate machine learning algorithms, but application within Earth science subjects becomes much more complex. For the current study, we propose a methodology and tool that aids in implementation of ML in Earth science using natural language processing (NLP). Our work comprises three main parts: (1) analyzing existing publications related to ML and Earth science, using natural language processing: (2) extracting from the publications information on ML models subjects in Earth Science: and (3) visualizing the extracted relationships as a network graph. The resulting network graph should aid the Earth science communities in applying optimal ML algorithms and guiding data preparation through visualization of similar studies. The network graph and analysis of document similarity will be the basis of our next step, which is to develop a decision tree for selecting optimal machine learning methodologies for specified Earth science applications.

Zheng, Laura↗

Hybrid Quantum–Classical Graph Transformers for Efficient Sentiment Analysis

Quantum Machine Learning (QML) offers a promising paradigm that leverages quantum computing principles to develop efficient and expressive models for learning from complex and structured data. Recent advances in natural language processing (NLP) and artificial intelligence (AI) have demonstrated capabilities in understanding, generating, and reasoning over linguistic and multimodal information. In this work, we present the Quantum Graph Transformer (QGT), a hybrid quantum–classical architecture that extends graph transformer capabilities through quantum self-attention. The QGT models variable-length sentences as token graphs, where both the embedding encoding and the self-attention mechanisms are implemented using parameterized quantum circuits (PQCs), enabling efficient contextual learning with significantly fewer trainable parameters. We train QGT using both fully connected and 𝑘 -nearest-neighbor graph structures and evaluate it on five benchmark sentiment-classification datasets. Experimental results show that QGT consistently achieves higher or comparable accuracy to existing quantum NLP models and outperforms a Classical Graph Transformer (CGT) baseline with identical architecture, achieving 29.4 × fewer parameters while requiring 3–5 × fewer samples to reach comparable performance. These findings highlight the potential of graph-based quantum models as scalable and data-efficient architectures for natural language understanding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data-driven materials research enabled by natural language processing and information extraction

Given the emergence of data science and machine learning throughout all aspects of society, but particularly in the scientific domain, there is increased importance placed on obtaining data. Data in materials science are particularly heterogeneous, based on the significant range in materials classes that are explored and the variety of materials properties that are of interest. This leads to data that range many orders of magnitude, and these data may manifest as numerical text or image-based information, which requires quantitative interpretation. The ability to automatically consume and codify the scientific literature across domains - enabled by techniques adapted from the field of natural language processing - therefore has immense potential to unlock and generate the rich datasets necessary for data science and machine learning. This review focuses on the progress and practices of natural language processing and text mining of materials science literature and highlights opportunities for extracting additional information beyond text contained in figures and tables in articles. Here, we discuss and provide examples for several reasons for the pursuit of natural language processing for materials, including data compilation, hypothesis development, and understanding the trends within and across fields. Current and emerging natural language processing methods along with their applications to materials science are detailed. We, then, discuss natural language processing and data challenges within the materials science domain where future directions may prove valuable.

36 MATERIALS SCIENCE↗

Collaborating with Autonomous Agents

With the anticipated increase of small unmanned aircraft systems (sUAS) entering into the National Airspace System, it is highly likely that vehicle operators will be teaming with fleets of small autonomous vehicles. The small vehicles may consist of sUAS, which are 55 pounds or less that typically will y at altitudes 400 feet and below, and small ground vehicles typically operating in buildings or defined small campuses. Typically, the vehicle operators are not concerned with manual control of the vehicle; instead they are concerned with the overall mission. In order for this vision of high-level mission operators working with fleets of vehicles to come to fruition, many human factors related challenges must be investigated and solved. First, the interface between the human operator and the autonomous agent must be at a level that the operator needs and the agents can understand. This paper details the natural language human factors e orts that NASA Langley's Autonomy Incubator is focusing on. In particular these e orts focus on allowing the operator to interact with the system using speech and gestures rather than a mouse and keyboard. With this ability of the system to understand both speech and gestures, operators not familiar with the vehicle dynamics will be able to easily plan, initiate, and change missions using a language familiar to them rather than having to learn and converse in the vehicle's language. This will foster better teaming between the operator and the autonomous agent which will help lower workload, increase situation awareness, and improve performance of the system as a whole.

Trujillo, Anna C.↗

Wolf

The Workflow Orchestration Language Framework (WOLF) is an agentic framework grounded in natural language with an architecture inspired by reinforcement learning (RL)—designed to orchestrate, scale, and accelerate complex workflows. The concept of WOLF was born out of the very successful ASC Tri-lab Multi-Agent Design Assistant (MADA) project, but extends beyond its domain-specific design agents to provide a more general and extensible architecture. WOLF capitalizes on the lessons learned from MADA and is fully aligned with Sutton’s The Bitter Lesson—that the most enduring progress in AI comes from general-purpose methods that scale with computation, rather than narrow techniques built on domain-specific human knowledge. In this spirit, WOLF enables agents to autonomously learn workflows, capture strategies as reusable playbooks, and build a growing corpus of interpretable, auditable “wisdom artifacts.” These artifacts, expressed in natural language, bridge human and machine understanding while preserving adaptability and scalability as computational power continues to expand.

Boureima, Ismaeal↗

Artificial intelligence, expert systems, computer vision, and natural language processing

An overview of artificial intelligence (AI), its core ingredients, and its applications is presented. The knowledge representation, logic, problem solving approaches, languages, and computers pertaining to AI are examined, and the state of the art in AI is reviewed. The use of AI in expert systems, computer vision, natural language processing, speech recognition and understanding, speech synthesis, problem solving, and planning is examined. Basic AI topics, including automation, search-oriented problem solving, knowledge representation, and computational logic, are discussed.

Gevarter, W. B.↗

Towards an Aviation Large Language Model by Fine-tuning and Evaluating Transformers

In the aviation domain, there are many applications for machine learning and artificial intelligence tools that utilize natural language. For example, there is a desire to know the commonalities in written safety reports such as voluntary post incidents reports or aerial wildfire operations reports to better understand the risks present. Another use-case is the possibility of extracting airspace procedures and constraints currently written in documents such as Letters of Agreement. These applications can benefit from the use of state-of-the-art natural language processing techniques when adapted to the language/phraseology specific to the aviation domain. This paper evaluates the viability of adaptation of NLP tools to the aviation domain by fine-tuning transformer based models using aviation data sets. In 2018, a novel language model based on neural units (also called transformers) was created and became known as “Bidirectional Encoder Representations from Transformers” or BERT. This architecture combined with large amounts of English training data and innovative semi-supervised training tasks set the standard for what would later emerge as Large Language Models. The performance of these models was further improved by hyperparameter tuning and refinement of the semi-supervised training task and resulted in “Robustly Optimized BERT Pre-training Approach through hyperparameter tuning” or RoBERTa models. These pre-trained Large Language Models proved to be useful for a wide variety of natural language processing tasks such as text classification and question answering through a process called fine-tuning. The transformer architecture with pre-trained weights served as the basis with the last few layers replaced with layers fine-tuned to perform a new task e.g., a layer that provides a label for the entire input text. This process of fine-tuning can also be used to adapt the models to new domains; e.g., BioBERT started with the pre-trained BERT model and was completed by additional fine-tuning and training on biomedical documents. Transformer-based architectures can also be used to create rich representations of text called embeddings which can serve as the input to other machine learning models. This allows simpler algorithms such as logistic regression to use context-rich representations of the text while still remaining quick to train and evaluate. In the world of aviation, there is a growing demand for natural language processing and understanding but the domain presents unique challenges. Due to the technical content (and specialized language) of most aviation documents, fine-tuning pre-trained Large Language Models to specific tasks has not met the benchmark on natural language processing tasks set by simpler models trained from scratch on the data. To address this deficiency, this paper evaluates the improvements from fine-tuning a Large Language Model on a large set of aviation documents using the original semi-supervised training tasks before performing specific natural language tasks. In fine-tuning, a domain-specific dataset is used on the original training task but with the pre-trained Large Language Model instead of starting from a random initialization. This approach allows the model to be adapted to the specific domain language without discarding the information gained from training on general English data. This paper utilized two major dataset types to train and assess the RoBERTa fine-tuning performance. The first are 7,057 Letters of Agreement which are Federal Aviation Administration (FAA) documents that formalize airspace operations across the national airspace system. They contain many examples of ‘aviation English’ using domain specific terminology and phrasing which serves as a representative basis to perform the semi-supervised fine-tuning. The second type is the 494 document classification labels to be used for evaluation. This down-stream evaluation aims to show the performance of the fine-tuned model, better understand how much data is needed for an effective fine-tuning, and how fine-tuning can be adapted for different applications in-the domain. After semi-supervised training, evaluation begins by encoding the documents for classification using the fine-tuned RoBERTa model. Then a logistic regression classifier is trained to label the document type and compared against our ground truth labels. This currently leads to a 82.8% accuracy on 10-fold cross validation showing improvement over baseline RoBERTa which achieved 81.0%. We plan to measure the improvements on additional tasks and it is expected that these improvements will lead to more robust models that can tackle the natural language processing challenges present in aviation datasets.

ATM↗

MetaText: Compositional Generalization in Deep Language Models

Compositional generalization, the ability to infer and reason using novel combinations of previously encountered entities and structures, is a trait of great utility across a variety of deep learning tasks; it implies a certain ability to reason using consistent and therefore interpretable rules, to understand the constituent parts of its input at multiple levels of granularity, to be robust to spurious differences between semantically equivalent inputs, and more. We seek to understand the degree to which existing natural language models achieve or fall short of compositional generalization across a variety of tasks, whether there are distinct types of compositional generalization in practice, and to identify avenues of intervention through which we can improve models’ compositional generalization ability. After exploring these questions using an array of models, tasks, and potential interventions we see that large, pretrained language models have encountered sufficient training data to account for a variety of fine-grained compositional behavior but still struggle to reason at the level of phrases or larger language structures. Non-intrusive, data-based interventions in the form of augmenting individual sequences with compressed versions of themselves or deriving new examples from induced grammars prove insufficient to encourage greater levels of compositional reasoning, indicating that future work might benefit most from focusing on changes to a model’s inductive bias at the architectural or loss level, or by integrating compositionality-boosting data interventions into the large-scale pretraining process itself.

97 MATHEMATICS AND COMPUTING↗

Drilling Down I/O Bottlenecks with Cross-layer I/O Profile Exploration

I/O performance monitoring tools such as Darshan and Recorder collect I/O-related metrics on production systems and help understand the applications' behavior. However, some gaps prevent end-users from seeing the whole picture when it comes to detecting and drilling down to the root causes of I/O performance slowdowns and where those problems originate. These gaps arise from limitations in the available metrics, their collection strategy, and the lack of translation to actionable items that could advise on optimizations. This paper highlights such gaps and proposes solutions to drill down to the source code level to pinpoint the root causes of I/O bottlenecks scientific applications face by relying on cross-layer analysis combining multiple performance metrics related to I/O software layers. We demonstrate with two real applications how metrics collected in high-level libraries (which are closer to the data models used by an application), enhanced by source-code insights and natural language translations, can help streamline the understanding of I/O behavior and provide guidance to end-users, developers, and supercomputing facilities on how to improve I/O performance. Using this cross-layer analysis and the heuristic recommendations, we attained up to 6.9× speedup from run-as-is executions.

Ather, Hammad↗

From Informal Safety-Critical Requirements to Property-Driven Formal Validation

Most of the efforts in formal methods have historically been devoted to comparing a design against a set of requirements. The validation of the requirements themselves, however, has often been disregarded, and it can be considered a largely open problem, which poses several challenges. The first challenge is given by the fact that requirements are often written in natural language, and may thus contain a high degree of ambiguity. Despite the progresses in Natural Language Processing techniques, the task of understanding a set of requirements cannot be automatized, and must be carried out by domain experts, who are typically not familiar with formal languages. Furthermore, in order to retain a direct connection with the informal requirements, the formalization cannot follow standard model-based approaches. The second challenge lies in the formal validation of requirements. On one hand, it is not even clear which are the correctness criteria or the high-level properties that the requirements must fulfill. On the other hand, the expressivity of the language used in the formalization may go beyond the theoretical and/or practical capacity of state-of-the-art formal verification. In order to solve these issues, we propose a new methodology that comprises of a chain of steps, each supported by a specific tool. The main steps are the following. First, the informal requirements are split into basic fragments, which are classified into categories, and dependency and generalization relationships among them are identified. Second, the fragments are modeled using a visual language such as UML. The UML diagrams are both syntactically restricted (in order to guarantee a formal semantics), and enriched with a highly controlled natural language (to allow for modeling static and temporal constraints). Third, an automatic formal analysis phase iterates over the modeled requirements, by combining several, complementary techniques: checking consistency; verifying whether the requirements entail some desirable properties; verify whether the requirements are consistent with selected scenarios; diagnosing inconsistencies by identifying inconsistent cores; identifying vacuous requirements; constructing multiple explanations by enabling the fault-tree analysis related to particular fault models; verifying whether the specification is realizable.

Cimatti, Alessandro↗

Developing Natural Language Processing and Supervised Learning Techniques to Classify Mars Tasks

As NASA's Human Research Program (HRP) prepares for long-duration Mars missions, understanding astronaut tasks is crucial. This study, conducted at NASA Glenn Research Center (GRC), employed Natural Language Processing (NLP) and machine learning techniques to analyze and classify Mars tasks. A list of 1,058 Mars tasks was provided by HRP experts including binary labeling of 18 Human System Task Categories (HSTCs). We developed an NLP model using Google's BERT language model to capture the semantic and syntactic nuances of these tasks. Supervised training was initially applied to a subset of the NLP-analyzed tasks to assess the model's effectiveness in classifying the remaining tasks. Incorporating HSTC descriptions significantly enhanced the classification accuracy for 9 out of the 18 HSTCs and reduced training time. To address the issue of severe class imbalance in the HSTC data, we introduced innovative weighting and sampling techniques for data augmentation. We then fine-tune BERT to implement a pairwise relatedness scoring method, allowing us to cluster tasks based on their relatedness and similarity, getting a step closer to labeling the tasks without supervision. In this presentation we guide you through data preprocessing, deciphering key syntax components using BERT, and performing supervised classification of the Mars tasks. This work showcases the potential use of advanced NLP techniques to analyze Mars missions to be incorporated into various crew health and performance analyses.

GenAI↗

Let’s speak FRETish

FRET (https://github.com/NASA-SW-VnV/fret [github.com]) is a framework for the elicitation, formalization and analysis of requirements. FRET allows its user to enter requirements in a structured natural language called FRETish. Requirements written in FRETish are assigned unambiguous semantics. FRET supports its users in understanding this semantics and repairing requirements if applicable, by utilizing a variety of forms for each requirement: natural language description, formal mathematical logics, diagrams, and interactive simulation. FRET exports requirements into forms that can be used by a variety of analysis tools, including state-of-the-art model checkers and runtime monitoring tools. The talk will cover some of the theory behind the framework, present case studies from the aerospace and robotics domains, as well as current work on extending FRET for specifying requirements for software that learns.

FRET↗

DeepPatent2: A Large-Scale Benchmarking Corpus for Technical Drawing Understanding

Abstract Recent advances in computer vision (CV) and natural language processing have been driven by exploiting big data on practical applications. However, these research fields are still limited by the sheer volume, versatility, and diversity of the available datasets. CV tasks, such as image captioning, which has primarily been carried out on natural images, still struggle to produce accurate and meaningful captions on sketched images often included in scientific and technical documents. The advancement of other tasks such as 3D reconstruction from 2D images requires larger datasets with multiple viewpoints. We introduce DeepPatent2, a large-scale dataset, providing more than 2.7 million technical drawings with 132,890 object names and 22,394 viewpoints extracted from 14 years of US design patent documents. We demonstrate the usefulness of DeepPatent2 with conceptual captioning. We further provide the potential usefulness of our dataset to facilitate other research areas such as 3D image reconstruction and image retrieval.

97 MATHEMATICS AND COMPUTING↗

How AI Predicts the Untrained and Unseen

Focus Area: Model predictability improvements (Primary); Data optimization (secondary); Data complexity insights (secondary). The Scientific Challenge: If we believe that a future under extreme conditions will look very differently from today, we can likely agree that ML/AI models trained on past and present datasets will not be adequate to make reliable predictions into the future. This is true for water cycling, as well as biogeochemistry and other Earth system components and behaviors. Additionally, ML/AI models are inherently non-physical. Despite the flourishing success of ML/AI in many applications, such as computer vision, natural language process, and gaming, even the most sophisticated AI models don’t understand the very basic physical laws. Therefore, a natural question is: Can we trust ML/AI based predictions of Earth system behaviors that are fundamentally driven by physical laws? So, are physics models with meticulous process representation a better choice? Not exactly. Physical models, when firmly rooted in first principles, work great at predicting behaviors of systems with a well-defined set of boundary conditions and variables. However, as a complex system, the number of parameters and the degree of complexity and dynamics in processes, coupling, and scale dependent emergent behaviors make the Earth system behaviors very challenging to predict with physical models composed of deterministic laws. In addition, due to the lack of fundamental understandings, physical models often implement empirical correlations derived from observations with biases from locality of data generation. Because correlation is not necessarily causation or comply with first principles, scaling of model predictions beyond locality is often invalid. Beyond the limitation of models, physics or AI, our knowledge of the Earth system is limited by the lack of observational technologies and resources. Insufficient data density, dimensionality and diversity only offer a sliced (or projected) view of the Earth system, e.g. Plato’s Cave analogy, limiting our capability to better understand and represent fundamental processes in models.

54 ENVIRONMENTAL SCIENCES↗

Reliable Measures of Spread in High Dimensional Latent Spaces

Understanding geometric properties of the latent spaces of natural language processing models allows the manipulation of these properties for improved performance on downstream tasks. One such property is the amount of data spread in a model’s latent space, or how fully the available latent space is being used. We demonstrate that the commonly used measures of data spread, average cosine similarity and a partition function min/max ratio I (V), do not provide reliable metrics to compare the use of latent space across data distributions. We propose and examine six alternative measures of data spread, all of which improve over these current metrics when applied to seven synthetic data distributions. Of our proposed measures, we recommend one principal component-based measure and one entropy-based measure that provide reliable, relative measures of spread and can be used to compare models of different sizes and dimensionalities.

97 MATHEMATICS AND COMPUTING↗