new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Jan 9

Agent-based Learning of Materials Datasets from Scientific Literature

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

  • 2 authors
·
Dec 18, 2023

MatText: Do Language Models Need More than Text & Scale for Materials Modeling?

Effectively representing materials as text has the potential to leverage the vast advancements of large language models (LLMs) for discovering new materials. While LLMs have shown remarkable success in various domains, their application to materials science remains underexplored. A fundamental challenge is the lack of understanding of how to best utilize text-based representations for materials modeling. This challenge is further compounded by the absence of a comprehensive benchmark to rigorously evaluate the capabilities and limitations of these text representations in capturing the complexity of material systems. To address this gap, we propose MatText, a suite of benchmarking tools and datasets designed to systematically evaluate the performance of language models in modeling materials. MatText encompasses nine distinct text-based representations for material systems, including several novel representations. Each representation incorporates unique inductive biases that capture relevant information and integrate prior physical knowledge about materials. Additionally, MatText provides essential tools for training and benchmarking the performance of language models in the context of materials science. These tools include standardized dataset splits for each representation, probes for evaluating sensitivity to geometric factors, and tools for seamlessly converting crystal structures into text. Using MatText, we conduct an extensive analysis of the capabilities of language models in modeling materials. Our findings reveal that current language models consistently struggle to capture the geometric information crucial for materials modeling across all representations. Instead, these models tend to leverage local information, which is emphasized in some of our novel representations. Our analysis underscores MatText's ability to reveal shortcomings of text-based methods for materials design.

  • 3 authors
·
Jun 25, 2024

MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to encompass seven different NLP tasks, including conventional NLP tasks like named entity recognition and relation classification, as well as NLP tasks specific to materials science, such as synthesis action retrieval which relates to creating synthesis procedures for materials. We study various BERT-based models pretrained on different scientific text corpora on MatSci-NLP to understand the impact of pretraining strategies on understanding materials science text. Given the scarcity of high-quality annotated data in the materials science domain, we perform our fine-tuning experiments with limited training data to encourage the generalize across MatSci-NLP tasks. Our experiments in this low-resource training setting show that language models pretrained on scientific text outperform BERT trained on general text. MatBERT, a model pretrained specifically on materials science journals, generally performs best for most tasks. Moreover, we propose a unified text-to-schema for multitask learning on \benchmark and compare its performance with traditional fine-tuning methods. In our analysis of different training methods, we find that our proposed text-to-schema methods inspired by question-answering consistently outperform single and multitask NLP fine-tuning methods. The code and datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23.

  • 3 authors
·
May 14, 2023

From Vision To Language through Graph of Events in Space and Time: An Explainable Self-supervised Approach

The task of describing video content in natural language is commonly referred to as video captioning. Unlike conventional video captions, which are typically brief and widely available, long-form paragraph descriptions in natural language are scarce. This limitation of current datasets is due to the expensive human manual annotation required and to the highly challenging task of explaining the language formation process from the perspective of the underlying story, as a complex system of interconnected events in space and time. Through a thorough analysis of recently published methods and available datasets, we identify a general lack of published resources dedicated to the problem of describing videos in complex language, beyond the level of descriptions in the form of enumerations of simple captions. Furthermore, while state-of-the-art methods produce impressive results on the task of generating shorter captions from videos by direct end-to-end learning between the videos and text, the problem of explaining the relationship between vision and language is still beyond our reach. In this work, we propose a shared representation between vision and language, based on graphs of events in space and time, which can be obtained in an explainable and analytical way, to integrate and connect multiple vision tasks to produce the final natural language description. Moreover, we also demonstrate how our automated and explainable video description generation process can function as a fully automatic teacher to effectively train direct, end-to-end neural student pathways, within a self-supervised neuro-analytical system. We validate that our explainable neuro-analytical approach generates coherent, rich and relevant textual descriptions on videos collected from multiple varied datasets, using both standard evaluation metrics, human annotations and consensus from ensembles of state-of-the-art VLMs.

  • 2 authors
·
Jul 7, 2025

On The Role of Pretrained Language Models in General-Purpose Text Embeddings: A Survey

Text embeddings have attracted growing interest due to their effectiveness across a wide range of natural language processing (NLP) tasks, such as retrieval, classification, clustering, bitext mining, and summarization. With the emergence of pretrained language models (PLMs), general-purpose text embeddings (GPTE) have gained significant traction for their ability to produce rich, transferable representations. The general architecture of GPTE typically leverages PLMs to derive dense text representations, which are then optimized through contrastive learning on large-scale pairwise datasets. In this survey, we provide a comprehensive overview of GPTE in the era of PLMs, focusing on the roles PLMs play in driving its development. We first examine the fundamental architecture and describe the basic roles of PLMs in GPTE, i.e., embedding extraction, expressivity enhancement, training strategies, learning objectives, and data construction. Then, we describe advanced roles enabled by PLMs, such as multilingual support, multimodal integration, code understanding, and scenario-specific adaptation. Finally, we highlight potential future research directions that move beyond traditional improvement goals, including ranking integration, safety considerations, bias mitigation, structural information incorporation, and the cognitive extension of embeddings. This survey aims to serve as a valuable reference for both newcomers and established researchers seeking to understand the current state and future potential of GPTE.

  • 6 authors
·
Jul 28, 2025

A Systematic Survey of Prompt Engineering on Vision-Language Foundation Models

Prompt engineering is a technique that involves augmenting a large pre-trained model with task-specific hints, known as prompts, to adapt the model to new tasks. Prompts can be created manually as natural language instructions or generated automatically as either natural language instructions or vector representations. Prompt engineering enables the ability to perform predictions based solely on prompts without updating model parameters, and the easier application of large pre-trained models in real-world tasks. In past years, Prompt engineering has been well-studied in natural language processing. Recently, it has also been intensively studied in vision-language modeling. However, there is currently a lack of a systematic overview of prompt engineering on pre-trained vision-language models. This paper aims to provide a comprehensive survey of cutting-edge research in prompt engineering on three types of vision-language models: multimodal-to-text generation models (e.g. Flamingo), image-text matching models (e.g. CLIP), and text-to-image generation models (e.g. Stable Diffusion). For each type of model, a brief model summary, prompting methods, prompting-based applications, and the corresponding responsibility and integrity issues are summarized and discussed. Furthermore, the commonalities and differences between prompting on vision-language models, language models, and vision models are also discussed. The challenges, future directions, and research opportunities are summarized to foster future research on this topic.

  • 10 authors
·
Jul 24, 2023

MaScQA: A Question Answering Dataset for Investigating Materials Science Knowledge of Large Language Models

Information extraction and textual comprehension from materials literature are vital for developing an exhaustive knowledge base that enables accelerated materials discovery. Language models have demonstrated their capability to answer domain-specific questions and retrieve information from knowledge bases. However, there are no benchmark datasets in the materials domain that can evaluate the understanding of the key concepts by these language models. In this work, we curate a dataset of 650 challenging questions from the materials domain that require the knowledge and skills of a materials student who has cleared their undergraduate degree. We classify these questions based on their structure and the materials science domain-based subcategories. Further, we evaluate the performance of GPT-3.5 and GPT-4 models on solving these questions via zero-shot and chain of thought prompting. It is observed that GPT-4 gives the best performance (~62% accuracy) as compared to GPT-3.5. Interestingly, in contrast to the general observation, no significant improvement in accuracy is observed with the chain of thought prompting. To evaluate the limitations, we performed an error analysis, which revealed conceptual errors (~64%) as the major contributor compared to computational errors (~36%) towards the reduced performance of LLMs. We hope that the dataset and analysis performed in this work will promote further research in developing better materials science domain-specific LLMs and strategies for information extraction.

  • 4 authors
·
Aug 17, 2023

An Evaluation of Large Language Models on Text Summarization Tasks Using Prompt Engineering Techniques

Large Language Models (LLMs) continue to advance natural language processing with their ability to generate human-like text across a range of tasks. Despite the remarkable success of LLMs in Natural Language Processing (NLP), their performance in text summarization across various domains and datasets has not been comprehensively evaluated. At the same time, the ability to summarize text effectively without relying on extensive training data has become a crucial bottleneck. To address these issues, we present a systematic evaluation of six LLMs across four datasets: CNN/Daily Mail and NewsRoom (news), SAMSum (dialog), and ArXiv (scientific). By leveraging prompt engineering techniques including zero-shot and in-context learning, our study evaluates the performance using the ROUGE and BERTScore metrics. In addition, a detailed analysis of inference times is conducted to better understand the trade-off between summarization quality and computational efficiency. For Long documents, introduce a sentence-based chunking strategy that enables LLMs with shorter context windows to summarize extended inputs in multiple stages. The findings reveal that while LLMs perform competitively on news and dialog tasks, their performance on long scientific documents improves significantly when aided by chunking strategies. In addition, notable performance variations were observed based on model parameters, dataset properties, and prompt design. These results offer actionable insights into how different LLMs behave across task types, contributing to ongoing research in efficient, instruction-based NLP systems.

  • 3 authors
·
Jul 7, 2025

A standardized Project Gutenberg corpus for statistical analysis of natural language and quantitative linguistics

The use of Project Gutenberg (PG) as a text corpus has been extremely popular in statistical analysis of language for more than 25 years. However, in contrast to other major linguistic datasets of similar importance, no consensual full version of PG exists to date. In fact, most PG studies so far either consider only a small number of manually selected books, leading to potential biased subsets, or employ vastly different pre-processing strategies (often specified in insufficient details), raising concerns regarding the reproducibility of published results. In order to address these shortcomings, here we present the Standardized Project Gutenberg Corpus (SPGC), an open science approach to a curated version of the complete PG data containing more than 50,000 books and more than 3 times 10^9 word-tokens. Using different sources of annotated metadata, we not only provide a broad characterization of the content of PG, but also show different examples highlighting the potential of SPGC for investigating language variability across time, subjects, and authors. We publish our methodology in detail, the code to download and process the data, as well as the obtained corpus itself on 3 different levels of granularity (raw text, timeseries of word tokens, and counts of words). In this way, we provide a reproducible, pre-processed, full-size version of Project Gutenberg as a new scientific resource for corpus linguistics, natural language processing, and information retrieval.

  • 2 authors
·
Dec 19, 2018

Mining experimental data from Materials Science literature with Large Language Models: an evaluation study

This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we primarily focus on two critical tasks of information extraction: (i) a named entity recognition (NER) of studied materials and physical properties and (ii) a relation extraction (RE) between these entities. Due to the evident lack of datasets within Materials Informatics (MI), we evaluated using SuperMat, based on superconductor research, and MeasEval, a generic measurement evaluation corpus. The performance of LLMs in executing these tasks is benchmarked against traditional models based on the BERT architecture and rule-based approaches (baseline). We introduce a novel methodology for the comparative analysis of intricate material expressions, emphasising the standardisation of chemical formulas to tackle the complexities inherent in materials science information assessment. For NER, LLMs fail to outperform the baseline with zero-shot prompting and exhibit only limited improvement with few-shot prompting. However, a GPT-3.5-Turbo fine-tuned with the appropriate strategy for RE outperforms all models, including the baseline. Without any fine-tuning, GPT-4 and GPT-4-Turbo display remarkable reasoning and relationship extraction capabilities after being provided with merely a couple of examples, surpassing the baseline. Overall, the results suggest that although LLMs demonstrate relevant reasoning skills in connecting concepts, specialised models are currently a better choice for tasks requiring extracting complex domain-specific entities like materials. These insights provide initial guidance applicable to other materials science sub-domains in future work.

  • 4 authors
·
Jan 19, 2024 1

Meta-Chunking: Learning Efficient Text Segmentation via Logical Perception

Retrieval-Augmented Generation (RAG), while serving as a viable complement to large language models (LLMs), often overlooks the crucial aspect of text chunking within its pipeline, which impacts the quality of knowledge-intensive tasks. This paper introduces the concept of Meta-Chunking, which refers to a granularity between sentences and paragraphs, consisting of a collection of sentences within a paragraph that have deep linguistic logical connections. To implement Meta-Chunking, we designed two strategies based on LLMs: Margin Sampling Chunking and Perplexity Chunking. The former employs LLMs to perform binary classification on whether consecutive sentences need to be segmented, making decisions based on the probability difference obtained from margin sampling. The latter precisely identifies text chunk boundaries by analyzing the characteristics of perplexity distribution. Additionally, considering the inherent complexity of different texts, we propose a strategy that combines Meta-Chunking with dynamic merging to achieve a balance between fine-grained and coarse-grained text chunking. Experiments conducted on eleven datasets demonstrate that Meta-Chunking can more efficiently improve the performance of single-hop and multi-hop question answering based on RAG. For instance, on the 2WikiMultihopQA dataset, it outperforms similarity chunking by 1.32 while only consuming 45.8% of the time. Our code is available at https://github.com/IAAR-Shanghai/Meta-Chunking.

  • 7 authors
·
Oct 16, 2024 4

When Text Embedding Meets Large Language Model: A Comprehensive Survey

Text embedding has become a foundational technology in natural language processing (NLP) during the deep learning era, driving advancements across a wide array of downstream tasks. While many natural language understanding challenges can now be modeled using generative paradigms and leverage the robust generative and comprehension capabilities of large language models (LLMs), numerous practical applications, such as semantic matching, clustering, and information retrieval, continue to rely on text embeddings for their efficiency and effectiveness. In this survey, we categorize the interplay between LLMs and text embeddings into three overarching themes: (1) LLM-augmented text embedding, enhancing traditional embedding methods with LLMs; (2) LLMs as text embedders, utilizing their innate capabilities for embedding generation; and (3) Text embedding understanding with LLMs, leveraging LLMs to analyze and interpret embeddings. By organizing these efforts based on interaction patterns rather than specific downstream applications, we offer a novel and systematic overview of contributions from various research and application domains in the era of LLMs. Furthermore, we highlight the unresolved challenges that persisted in the pre-LLM era with pre-trained language models (PLMs) and explore the emerging obstacles brought forth by LLMs. Building on this analysis, we outline prospective directions for the evolution of text embedding, addressing both theoretical and practical opportunities in the rapidly advancing landscape of NLP.

  • 7 authors
·
Dec 12, 2024

AI vs. Human -- Differentiation Analysis of Scientific Content Generation

Recent neural language models have taken a significant step forward in producing remarkably controllable, fluent, and grammatical text. Although studies have found that AI-generated text is not distinguishable from human-written text for crowd-sourcing workers, there still exist errors in AI-generated text which are even subtler and harder to spot. We primarily focus on the scenario in which scientific AI writing assistant is deeply involved. First, we construct a feature description framework to distinguish between AI-generated text and human-written text from syntax, semantics, and pragmatics based on the human evaluation. Then we utilize the features, i.e., writing style, coherence, consistency, and argument logistics, from the proposed framework to analyze two types of content. Finally, we adopt several publicly available methods to investigate the gap of between AI-generated scientific text and human-written scientific text by AI-generated scientific text detection models. The results suggest that while AI has the potential to generate scientific content that is as accurate as human-written content, there is still a gap in terms of depth and overall quality. The AI-generated scientific content is more likely to contain errors in factual issues. We find that there exists a "writing style" gap between AI-generated scientific text and human-written scientific text. Based on the analysis result, we summarize a series of model-agnostic and distribution-agnostic features for detection tasks in other domains. Findings in this paper contribute to guiding the optimization of AI models to produce high-quality content and addressing related ethical and security concerns.

  • 7 authors
·
Jan 23, 2023

ChatGPT Alternative Solutions: Large Language Models Survey

In recent times, the grandeur of Large Language Models (LLMs) has not only shone in the realm of natural language processing but has also cast its brilliance across a vast array of applications. This remarkable display of LLM capabilities has ignited a surge in research contributions within this domain, spanning a diverse spectrum of topics. These contributions encompass advancements in neural network architecture, context length enhancements, model alignment, training datasets, benchmarking, efficiency improvements, and more. Recent years have witnessed a dynamic synergy between academia and industry, propelling the field of LLM research to new heights. A notable milestone in this journey is the introduction of ChatGPT, a powerful AI chatbot grounded in LLMs, which has garnered widespread societal attention. The evolving technology of LLMs has begun to reshape the landscape of the entire AI community, promising a revolutionary shift in the way we create and employ AI algorithms. Given this swift-paced technical evolution, our survey embarks on a journey to encapsulate the recent strides made in the world of LLMs. Through an exploration of the background, key discoveries, and prevailing methodologies, we offer an up-to-the-minute review of the literature. By examining multiple LLM models, our paper not only presents a comprehensive overview but also charts a course that identifies existing challenges and points toward potential future research trajectories. This survey furnishes a well-rounded perspective on the current state of generative AI, shedding light on opportunities for further exploration, enhancement, and innovation.

  • 3 authors
·
Mar 21, 2024

BioinspiredLLM: Conversational Large Language Model for the Mechanics of Biological and Bio-inspired Materials

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.

  • 2 authors
·
Sep 15, 2023

From Word Vectors to Multimodal Embeddings: Techniques, Applications, and Future Directions For Large Language Models

Word embeddings and language models have transformed natural language processing (NLP) by facilitating the representation of linguistic elements in continuous vector spaces. This review visits foundational concepts such as the distributional hypothesis and contextual similarity, tracing the evolution from sparse representations like one-hot encoding to dense embeddings including Word2Vec, GloVe, and fastText. We examine both static and contextualized embeddings, underscoring advancements in models such as ELMo, BERT, and GPT and their adaptations for cross-lingual and personalized applications. The discussion extends to sentence and document embeddings, covering aggregation methods and generative topic models, along with the application of embeddings in multimodal domains, including vision, robotics, and cognitive science. Advanced topics such as model compression, interpretability, numerical encoding, and bias mitigation are analyzed, addressing both technical challenges and ethical implications. Additionally, we identify future research directions, emphasizing the need for scalable training techniques, enhanced interpretability, and robust grounding in non-textual modalities. By synthesizing current methodologies and emerging trends, this survey offers researchers and practitioners an in-depth resource to push the boundaries of embedding-based language models.

  • 15 authors
·
Nov 6, 2024

Pre-train, Prompt, and Predict: A Systematic Survey of Prompting Methods in Natural Language Processing

This paper surveys and organizes research works in a new paradigm in natural language processing, which we dub "prompt-based learning". Unlike traditional supervised learning, which trains a model to take in an input x and predict an output y as P(y|x), prompt-based learning is based on language models that model the probability of text directly. To use these models to perform prediction tasks, the original input x is modified using a template into a textual string prompt x' that has some unfilled slots, and then the language model is used to probabilistically fill the unfilled information to obtain a final string x, from which the final output y can be derived. This framework is powerful and attractive for a number of reasons: it allows the language model to be pre-trained on massive amounts of raw text, and by defining a new prompting function the model is able to perform few-shot or even zero-shot learning, adapting to new scenarios with few or no labeled data. In this paper we introduce the basics of this promising paradigm, describe a unified set of mathematical notations that can cover a wide variety of existing work, and organize existing work along several dimensions, e.g.the choice of pre-trained models, prompts, and tuning strategies. To make the field more accessible to interested beginners, we not only make a systematic review of existing works and a highly structured typology of prompt-based concepts, but also release other resources, e.g., a website http://pretrain.nlpedia.ai/ including constantly-updated survey, and paperlist.

  • 6 authors
·
Jul 28, 2021

ChatGPT in the Age of Generative AI and Large Language Models: A Concise Survey

ChatGPT is a large language model (LLM) created by OpenAI that has been carefully trained on a large amount of data. It has revolutionized the field of natural language processing (NLP) and has pushed the boundaries of LLM capabilities. ChatGPT has played a pivotal role in enabling widespread public interaction with generative artificial intelligence (GAI) on a large scale. It has also sparked research interest in developing similar technologies and investigating their applications and implications. In this paper, our primary goal is to provide a concise survey on the current lines of research on ChatGPT and its evolution. We considered both the glass box and black box views of ChatGPT, encompassing the components and foundational elements of the technology, as well as its applications, impacts, and implications. The glass box approach focuses on understanding the inner workings of the technology, and the black box approach embraces it as a complex system, and thus examines its inputs, outputs, and effects. This paves the way for a comprehensive exploration of the technology and provides a road map for further research and experimentation. We also lay out essential foundational literature on LLMs and GAI in general and their connection with ChatGPT. This overview sheds light on existing and missing research lines in the emerging field of LLMs, benefiting both public users and developers. Furthermore, the paper delves into the broad spectrum of applications and significant concerns in fields such as education, research, healthcare, finance, etc.

  • 5 authors
·
Jul 9, 2023

PLaID++: A Preference Aligned Language Model for Targeted Inorganic Materials Design

Discovering novel materials is critical for technological advancements such as solar cells, batteries, and carbon capture. However, the development of new materials is constrained by a slow and expensive trial-and-error process. To accelerate this pipeline, we introduce PLaID++, a Large Language Model (LLM) fine-tuned for stable and property-guided crystal generation. We fine-tune Qwen-2.5 7B to generate crystal structures using a novel Wyckoff-based text representation. We show that generation can be effectively guided with a reinforcement learning technique based on Direct Preference Optimization (DPO), with sampled structures categorized by their stability, novelty, and space group. By encoding symmetry constraints directly into text and guiding model outputs towards desirable chemical space, PLaID++ generates structures that are thermodynamically stable, unique, and novel at a sim50\% greater rate than prior methods and conditionally generates structures with desired space group properties. Our experiments highlight the effectiveness of iterative DPO, achieving sim115\% and sim50\% improvements in unconditional and space group conditioned generation, respectively, compared to fine-tuning alone. Our work demonstrates the potential of adapting post-training techniques from natural language processing to materials design, paving the way for targeted and efficient discovery of novel materials.

  • 5 authors
·
Sep 8, 2025

Harnessing the Power of LLMs in Practice: A Survey on ChatGPT and Beyond

This paper presents a comprehensive and practical guide for practitioners and end-users working with Large Language Models (LLMs) in their downstream natural language processing (NLP) tasks. We provide discussions and insights into the usage of LLMs from the perspectives of models, data, and downstream tasks. Firstly, we offer an introduction and brief summary of current GPT- and BERT-style LLMs. Then, we discuss the influence of pre-training data, training data, and test data. Most importantly, we provide a detailed discussion about the use and non-use cases of large language models for various natural language processing tasks, such as knowledge-intensive tasks, traditional natural language understanding tasks, natural language generation tasks, emergent abilities, and considerations for specific tasks.We present various use cases and non-use cases to illustrate the practical applications and limitations of LLMs in real-world scenarios. We also try to understand the importance of data and the specific challenges associated with each NLP task. Furthermore, we explore the impact of spurious biases on LLMs and delve into other essential considerations, such as efficiency, cost, and latency, to ensure a comprehensive understanding of deploying LLMs in practice. This comprehensive guide aims to provide researchers and practitioners with valuable insights and best practices for working with LLMs, thereby enabling the successful implementation of these models in a wide range of NLP tasks. A curated list of practical guide resources of LLMs, regularly updated, can be found at https://github.com/Mooler0410/LLMsPracticalGuide.

  • 8 authors
·
Apr 26, 2023

MMSci: A Multimodal Multi-Discipline Dataset for PhD-Level Scientific Comprehension

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

  • 14 authors
·
Jul 5, 2024

Foundation Models for Natural Language Processing -- Pre-trained Language Models Integrating Media

This open access book provides a comprehensive overview of the state of the art in research and applications of Foundation Models and is intended for readers familiar with basic Natural Language Processing (NLP) concepts. Over the recent years, a revolutionary new paradigm has been developed for training models for NLP. These models are first pre-trained on large collections of text documents to acquire general syntactic knowledge and semantic information. Then, they are fine-tuned for specific tasks, which they can often solve with superhuman accuracy. When the models are large enough, they can be instructed by prompts to solve new tasks without any fine-tuning. Moreover, they can be applied to a wide range of different media and problem domains, ranging from image and video processing to robot control learning. Because they provide a blueprint for solving many tasks in artificial intelligence, they have been called Foundation Models. After a brief introduction to basic NLP models the main pre-trained language models BERT, GPT and sequence-to-sequence transformer are described, as well as the concepts of self-attention and context-sensitive embedding. Then, different approaches to improving these models are discussed, such as expanding the pre-training criteria, increasing the length of input texts, or including extra knowledge. An overview of the best-performing models for about twenty application areas is then presented, e.g., question answering, translation, story generation, dialog systems, generating images from text, etc. For each application area, the strengths and weaknesses of current models are discussed, and an outlook on further developments is given. In addition, links are provided to freely available program code. A concluding chapter summarizes the economic opportunities, mitigation of risks, and potential developments of AI.

  • 2 authors
·
Feb 16, 2023

Natural Language Generation from Visual Events: Challenges and Future Directions

The ability to use natural language to talk about visual events is at the core of human intelligence and a crucial feature of any artificial intelligence system. In recent years, a substantial body of work in visually grounded NLP has focused on describing content depicted in single images. By contrast, comparatively less attention has been devoted to exhaustively modeling scenarios in which natural language is employed to interpret and talk about events presented through videos or sequences of images. In this position paper, we argue that any NLG task dealing with sequences of images or frames is an instance of the broader, more general problem of modeling the intricate relationships between visual events unfolding over time and the features of the language used to interpret, describe, or narrate them. Therefore, solving these tasks requires models to be capable of identifying and managing such intricacies. We consider five seemingly different tasks, which we argue are compelling instances of this broader multimodal problem. Consistently, we claim that these tasks pose a common set of challenges and share similarities in terms of modeling and evaluation approaches. Building on this perspective, we identify key open questions and propose several research directions for future investigation. We claim that improving language-and-vision models' understanding of visual events is both timely and essential, given their growing applications. Additionally, this challenge offers significant scientific insight, advancing model development through principles of human cognition and language use.

  • 3 authors
·
Feb 18, 2025

Automatic assessment of text-based responses in post-secondary education: A systematic review

Text-based open-ended questions in academic formative and summative assessments help students become deep learners and prepare them to understand concepts for a subsequent conceptual assessment. However, grading text-based questions, especially in large courses, is tedious and time-consuming for instructors. Text processing models continue progressing with the rapid development of Artificial Intelligence (AI) tools and Natural Language Processing (NLP) algorithms. Especially after breakthroughs in Large Language Models (LLM), there is immense potential to automate rapid assessment and feedback of text-based responses in education. This systematic review adopts a scientific and reproducible literature search strategy based on the PRISMA process using explicit inclusion and exclusion criteria to study text-based automatic assessment systems in post-secondary education, screening 838 papers and synthesizing 93 studies. To understand how text-based automatic assessment systems have been developed and applied in education in recent years, three research questions are considered. All included studies are summarized and categorized according to a proposed comprehensive framework, including the input and output of the system, research motivation, and research outcomes, aiming to answer the research questions accordingly. Additionally, the typical studies of automated assessment systems, research methods, and application domains in these studies are investigated and summarized. This systematic review provides an overview of recent educational applications of text-based assessment systems for understanding the latest AI/NLP developments assisting in text-based assessments in higher education. Findings will particularly benefit researchers and educators incorporating LLMs such as ChatGPT into their educational activities.

  • 5 authors
·
Aug 30, 2023

Topologies of Reasoning: Demystifying Chains, Trees, and Graphs of Thoughts

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and others parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

  • 14 authors
·
Jan 25, 2024

A Survey of Prompt Engineering Methods in Large Language Models for Different NLP Tasks

Large language models (LLMs) have shown remarkable performance on many different Natural Language Processing (NLP) tasks. Prompt engineering plays a key role in adding more to the already existing abilities of LLMs to achieve significant performance gains on various NLP tasks. Prompt engineering requires composing natural language instructions called prompts to elicit knowledge from LLMs in a structured way. Unlike previous state-of-the-art (SoTA) models, prompt engineering does not require extensive parameter re-training or fine-tuning based on the given NLP task and thus solely operates on the embedded knowledge of LLMs. Additionally, LLM enthusiasts can intelligently extract LLMs' knowledge through a basic natural language conversational exchange or prompt engineering, allowing more and more people even without deep mathematical machine learning background to experiment with LLMs. With prompt engineering gaining popularity in the last two years, researchers have come up with numerous engineering techniques around designing prompts to improve accuracy of information extraction from the LLMs. In this paper, we summarize different prompting techniques and club them together based on different NLP tasks that they have been used for. We further granularly highlight the performance of these prompting strategies on various datasets belonging to that NLP task, talk about the corresponding LLMs used, present a taxonomy diagram and discuss the possible SoTA for specific datasets. In total, we read and present a survey of 44 research papers which talk about 39 different prompting methods on 29 different NLP tasks of which most of them have been published in the last two years.

  • 2 authors
·
Jul 17, 2024

LLMs4All: A Review on Large Language Models for Research and Applications in Academic Disciplines

Cutting-edge Artificial Intelligence (AI) techniques keep reshaping our view of the world. For example, Large Language Models (LLMs) based applications such as ChatGPT have shown the capability of generating human-like conversation on extensive topics. Due to the impressive performance on a variety of language-related tasks (e.g., open-domain question answering, translation, and document summarization), one can envision the far-reaching impacts that can be brought by the LLMs with broader real-world applications (e.g., customer service, education and accessibility, and scientific discovery). Inspired by their success, this paper will offer an overview of state-of-the-art LLMs and their integration into a wide range of academic disciplines, including: (1) arts, letters, and law (e.g., history, philosophy, political science, arts and architecture, law), (2) economics and business (e.g., finance, economics, accounting, marketing), and (3) science and engineering (e.g., mathematics, physics and mechanical engineering, chemistry and chemical engineering, life sciences and bioengineering, earth sciences and civil engineering, computer science and electrical engineering). Integrating humanity and technology, in this paper, we will explore how LLMs are shaping research and practice in these fields, while also discussing key limitations, open challenges, and future directions in the era of generative AI. The review of how LLMs are engaged across disciplines-along with key observations and insights-can help researchers and practitioners interested in exploiting LLMs to advance their works in diverse real-world applications.

  • 32 authors
·
Sep 23, 2025 2

Fine Tuning LLM for Enterprise: Practical Guidelines and Recommendations

There is a compelling necessity from enterprises for fine tuning LLMs (Large Language Models) o get them trained on proprietary domain knowledge. The challenge is to imbibe the LLMs with domain specific knowledge using the most optimial resource and cost and in the best possible time. Many enterprises rely on RAG (Retrieval Augmented Generation) which does not need LLMs to be ine-tuned but they are limited by the quality of vector databases and their retrieval capabilities rather than the intrinsic capabilities of the LLMs themselves. In our current work we focus on fine tuning LLaMA, an open source LLM using proprietary documents and code from an enterprise repository and use the fine tuned models to evaluate the quality of responses. As part of this work, we aim to guide beginners on how to start with fine tuning an LLM for documentation and code by making educated guesses on size of GPU required and options that are available for formatting the data. We also propose pre processing recipes for both documentation and code to prepare dataset in different formats. The proposed methods of data preparation for document datasets are forming paragraph chunks, forming question and answer pairs and forming keyword and paragraph chunk pairs. For code dataset we propose forming summary and function pairs. Further, we qualitatively evaluate the results of the models for domain specific queries. Finally, we also propose practical guidelines and recommendations for fine tuning LLMs.

  • 4 authors
·
Mar 23, 2024

Learning to Compress Prompt in Natural Language Formats

Large language models (LLMs) are great at processing multiple natural language processing tasks, but their abilities are constrained by inferior performance with long context, slow inference speed, and the high cost of computing the results. Deploying LLMs with precise and informative context helps users process large-scale datasets more effectively and cost-efficiently. Existing works rely on compressing long prompt contexts into soft prompts. However, soft prompt compression encounters limitations in transferability across different LLMs, especially API-based LLMs. To this end, this work aims to compress lengthy prompts in the form of natural language with LLM transferability. This poses two challenges: (i) Natural Language (NL) prompts are incompatible with back-propagation, and (ii) NL prompts lack flexibility in imposing length constraints. In this work, we propose a Natural Language Prompt Encapsulation (Nano-Capsulator) framework compressing original prompts into NL formatted Capsule Prompt while maintaining the prompt utility and transferability. Specifically, to tackle the first challenge, the Nano-Capsulator is optimized by a reward function that interacts with the proposed semantics preserving loss. To address the second question, the Nano-Capsulator is optimized by a reward function featuring length constraints. Experimental results demonstrate that the Capsule Prompt can reduce 81.4% of the original length, decrease inference latency up to 4.5x, and save 80.1% of budget overheads while providing transferability across diverse LLMs and different datasets.

  • 6 authors
·
Feb 28, 2024

MatTools: Benchmarking Large Language Models for Materials Science Tools

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based computational approaches have been developed in which materials properties can be calculated. Here, we propose a benchmark application to evaluate the proficiency of LLMs to answer materials science questions through the generation and safe execution of codes based on such physics-based computational materials science packages. MatTools is built on two complementary components: a materials simulation tool question-answer (QA) benchmark and a real-world tool-usage benchmark. We designed an automated methodology to efficiently collect real-world materials science tool-use examples. The QA benchmark, derived from the pymatgen (Python Materials Genomics) codebase and documentation, comprises 69,225 QA pairs that assess the ability of an LLM to understand materials science tools. The real-world benchmark contains 49 tasks (138 subtasks) requiring the generation of functional Python code for materials property calculations. Our evaluation of diverse LLMs yields three key insights: (1)Generalists outshine specialists;(2)AI knows AI; and (3)Simpler is better. MatTools provides a standardized framework for assessing and improving LLM capabilities for materials science tool applications, facilitating the development of more effective AI systems for materials science and general scientific research.

  • 6 authors
·
May 16, 2025 2

Large Pre-trained Language Models Contain Human-like Biases of What is Right and Wrong to Do

Artificial writing is permeating our lives due to recent advances in large-scale, transformer-based language models (LMs) such as BERT, its variants, GPT-2/3, and others. Using them as pre-trained models and fine-tuning them for specific tasks, researchers have extended state of the art for many NLP tasks and shown that they capture not only linguistic knowledge but also retain general knowledge implicitly present in the data. Unfortunately, LMs trained on unfiltered text corpora suffer from degenerated and biased behaviour. While this is well established, we show that recent LMs also contain human-like biases of what is right and wrong to do, some form of ethical and moral norms of the society -- they bring a "moral direction" to surface. That is, we show that these norms can be captured geometrically by a direction, which can be computed, e.g., by a PCA, in the embedding space, reflecting well the agreement of phrases to social norms implicitly expressed in the training texts and providing a path for attenuating or even preventing toxic degeneration in LMs. Being able to rate the (non-)normativity of arbitrary phrases without explicitly training the LM for this task, we demonstrate the capabilities of the "moral direction" for guiding (even other) LMs towards producing normative text and showcase it on RealToxicityPrompts testbed, preventing the neural toxic degeneration in GPT-2.

  • 5 authors
·
Mar 8, 2021

Under the Surface: Tracking the Artifactuality of LLM-Generated Data

This work delves into the expanding role of large language models (LLMs) in generating artificial data. LLMs are increasingly employed to create a variety of outputs, including annotations, preferences, instruction prompts, simulated dialogues, and free text. As these forms of LLM-generated data often intersect in their application, they exert mutual influence on each other and raise significant concerns about the quality and diversity of the artificial data incorporated into training cycles, leading to an artificial data ecosystem. To the best of our knowledge, this is the first study to aggregate various types of LLM-generated text data, from more tightly constrained data like "task labels" to more lightly constrained "free-form text". We then stress test the quality and implications of LLM-generated artificial data, comparing it with human data across various existing benchmarks. Despite artificial data's capability to match human performance, this paper reveals significant hidden disparities, especially in complex tasks where LLMs often miss the nuanced understanding of intrinsic human-generated content. This study critically examines diverse LLM-generated data and emphasizes the need for ethical practices in data creation and when using LLMs. It highlights the LLMs' shortcomings in replicating human traits and behaviors, underscoring the importance of addressing biases and artifacts produced in LLM-generated content for future research and development. All data and code are available on our project page.

  • 17 authors
·
Jan 26, 2024

Adapting LLMs for Efficient Context Processing through Soft Prompt Compression

The rapid advancement of Large Language Models (LLMs) has inaugurated a transformative epoch in natural language processing, fostering unprecedented proficiency in text generation, comprehension, and contextual scrutiny. Nevertheless, effectively handling extensive contexts, crucial for myriad applications, poses a formidable obstacle owing to the intrinsic constraints of the models' context window sizes and the computational burdens entailed by their operations. This investigation presents an innovative framework that strategically tailors LLMs for streamlined context processing by harnessing the synergies among natural language summarization, soft prompt compression, and augmented utility preservation mechanisms. Our methodology, dubbed SoftPromptComp, amalgamates natural language prompts extracted from summarization methodologies with dynamically generated soft prompts to forge a concise yet semantically robust depiction of protracted contexts. This depiction undergoes further refinement via a weighting mechanism optimizing information retention and utility for subsequent tasks. We substantiate that our framework markedly diminishes computational overhead and enhances LLMs' efficacy across various benchmarks, while upholding or even augmenting the caliber of the produced content. By amalgamating soft prompt compression with sophisticated summarization, SoftPromptComp confronts the dual challenges of managing lengthy contexts and ensuring model scalability. Our findings point towards a propitious trajectory for augmenting LLMs' applicability and efficiency, rendering them more versatile and pragmatic for real-world applications. This research enriches the ongoing discourse on optimizing language models, providing insights into the potency of soft prompts and summarization techniques as pivotal instruments for the forthcoming generation of NLP solutions.

  • 8 authors
·
Apr 7, 2024

Vector representations of text data in deep learning

In this dissertation we report results of our research on dense distributed representations of text data. We propose two novel neural models for learning such representations. The first model learns representations at the document level, while the second model learns word-level representations. For document-level representations we propose Binary Paragraph Vector: a neural network models for learning binary representations of text documents, which can be used for fast document retrieval. We provide a thorough evaluation of these models and demonstrate that they outperform the seminal method in the field in the information retrieval task. We also report strong results in transfer learning settings, where our models are trained on a generic text corpus and then used to infer codes for documents from a domain-specific dataset. In contrast to previously proposed approaches, Binary Paragraph Vector models learn embeddings directly from raw text data. For word-level representations we propose Disambiguated Skip-gram: a neural network model for learning multi-sense word embeddings. Representations learned by this model can be used in downstream tasks, like part-of-speech tagging or identification of semantic relations. In the word sense induction task Disambiguated Skip-gram outperforms state-of-the-art models on three out of four benchmarks datasets. Our model has an elegant probabilistic interpretation. Furthermore, unlike previous models of this kind, it is differentiable with respect to all its parameters and can be trained with backpropagation. In addition to quantitative results, we present qualitative evaluation of Disambiguated Skip-gram, including two-dimensional visualisations of selected word-sense embeddings.

  • 1 authors
·
Jan 7, 2019

The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

  • 2 authors
·
Nov 13, 2023

Overview of the TREC 2023 deep learning track

This is the fifth year of the TREC Deep Learning track. As in previous years, we leverage the MS MARCO datasets that made hundreds of thousands of human-annotated training labels available for both passage and document ranking tasks. We mostly repeated last year's design, to get another matching test set, based on the larger, cleaner, less-biased v2 passage and document set, with passage ranking as primary and document ranking as a secondary task (using labels inferred from passage). As we did last year, we sample from MS MARCO queries that were completely held out, unused in corpus construction, unlike the test queries in the first three years. This approach yields a more difficult test with more headroom for improvement. Alongside the usual MS MARCO (human) queries from MS MARCO, this year we generated synthetic queries using a fine-tuned T5 model and using a GPT-4 prompt. The new headline result this year is that runs using Large Language Model (LLM) prompting in some way outperformed runs that use the "nnlm" approach, which was the best approach in the previous four years. Since this is the last year of the track, future iterations of prompt-based ranking can happen in other tracks. Human relevance assessments were applied to all query types, not just human MS MARCO queries. Evaluation using synthetic queries gave similar results to human queries, with system ordering agreement of τ=0.8487. However, human effort was needed to select a subset of the synthetic queries that were usable. We did not see clear evidence of bias, where runs using GPT-4 were favored when evaluated using synthetic GPT-4 queries, or where runs using T5 were favored when evaluated on synthetic T5 queries.

  • 8 authors
·
Jul 10, 2025