Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge extraction, synthesis, and scientific reasoning. Large Language Models (LLMs) offer unprecedented opportunities to accelerate materials research through automated analysis and prediction. Still, their effective deployment requires domain-specific adaptation for understanding and solving domain-relevant tasks. Here, we present LLaMat, a family of foundational models for materials science developed through continued pretraining of LLaMA models on an extensive corpus of materials literature and crystallographic data. Through systematic evaluation, we demonstrate that LLaMat excels in materials-specific NLP and structured information extraction while maintaining general linguistic capabilities. The specialized LLaMat-CIF variant demonstrates unprecedented capabilities in crystal structure generation, predicting stable crystals with high coverage across the periodic table. Intriguingly, despite LLaMA-3's superior performance in comparison to LLaMA-2, we observe that LLaMat-2 demonstrates unexpectedly enhanced domain-specific performance across diverse materials science tasks, including structured information extraction from text and tables, more particularly in crystal structure generation, a potential adaptation rigidity in overtrained LLMs. Altogether, the present work demonstrates the effectiveness of domain adaptation towards developing practically deployable LLM copilots for materials research. Beyond materials science, our findings reveal important considerations for domain adaptation of LLMs, such as model selection, training methodology, and domain-specific performance, which may influence the development of specialized scientific AI systems.

Medical task-oriented dialogue systems can assist doctors by collecting patient medical history, aiding in diagnosis, or guiding treatment selection, thereby reducing doctor burnout and expanding access to medical services. However, doctor-patient dialogue datasets are not readily available, primarily due to privacy regulations. Moreover, existing datasets lack comprehensive annotations involving medical slots and their different attributes, such as symptoms and their onset, progression, and severity. These comprehensive annotations are crucial for accurate diagnosis. Finally, most existing datasets are non-English, limiting their utility for the larger research community. In response, we introduce MediTOD, a new dataset of doctor-patient dialogues in English for the medical history-taking task. Collaborating with doctors, we devise a questionnaire-based labeling scheme tailored to the medical domain. Then, medical professionals create the dataset with high-quality comprehensive annotations, capturing medical slots and their attributes. We establish benchmarks in supervised and few-shot settings on MediTOD for natural language understanding, policy learning, and natural language generation subtasks, evaluating models from both TOD and biomedical domains. We make MediTOD publicly available for future research.

End-to-end Task-Oriented Dialog (TOD) systems typically require extensive training datasets to perform well. In contrast, large language model (LLM) based TOD systems can excel even with limited data due to their ability to learn tasks through in-context exemplars. However, these models lack alignment with the style of responses in training data and often generate comprehensive responses, making it difficult for users to grasp the information quickly. In response, we propose SyncTOD that synergizes LLMs with task-specific hints to improve alignment in low-data settings. SyncTOD employs small auxiliary models to provide hints and select exemplars for in-context prompts. With ChatGPT, SyncTOD achieves superior performance compared to LLM-based baselines and SoTA models in low-data settings, while retaining competitive performance in full-data settings.

High-quality and high-coverage rule sets are imperative to the success of Neuro-Symbolic Knowledge Graph Completion (NS-KGC) models, because they form the basis of all symbolic inferences. Recent literature builds neural models for generating rule sets, however, preliminary experiments show that they struggle with maintaining high coverage. In this work, we suggest three simple augmentations to existing rule sets: (1) transforming rules to their abductive forms, (2) generating equivalent rules that use inverse forms of constituent relations and (3) random walks that propose new rules. Finally, we prune potentially low quality rules. Experiments over four datasets and five ruleset-baseline settings suggest that these simple augmentations consistently improve results, and obtain up to 7.1 pt MRR and 8.5 pt Hits@1 gains over using rules without augmentations.

Recently, very large language models (LLMs) have shown exceptional performance on several English NLP tasks with just in-context learning (ICL), but their utility in other languages is still underexplored. We investigate their effectiveness for NLP tasks in low-resource languages (LRLs), especially in the setting of zero-labelled cross-lingual transfer (0-CLT), where no labelled training data for the target language is available -- however training data from one or more related medium-resource languages (MRLs) is utilized, alongside the available unlabeled test data for a target language. We introduce Self-Supervised Prompting (SSP), a novel ICL approach tailored for the 0-CLT setting. SSP is based on the key observation that LLMs output more accurate labels if in-context exemplars are from the target language (even if their labels are slightly noisy). To operationalize this, since target language training data is not available in 0-CLT, SSP operates in two stages. In Stage I, using source MRL training data, target language's test data is noisily labeled. In Stage II, these noisy test data points are used as exemplars in ICL for further improved labelling. Additionally, our implementation of SSP uses a novel Integer Linear Programming (ILP)-based exemplar selection that balances similarity, prediction confidence (when available) and label coverage. Experiments on three tasks and eleven LRLs (from three regions) demonstrate that SSP strongly outperforms existing SOTA fine-tuned and prompting-based baselines in 0-CLT setup.

An essential requirement for a real-world Knowledge Base Question Answering (KBQA) system is the ability to detect answerability of questions when generating logical forms. However, state-of-the-art KBQA models assume all questions to be answerable. Recent research has found that such models, when superficially adapted to detect answerability, struggle to satisfactorily identify the different categories of unanswerable questions, and simultaneously preserve good performance for answerable questions. Towards addressing this issue, we propose RetinaQA, a new KBQA model that unifies two key ideas in a single KBQA architecture: (a) discrimination over candidate logical forms, rather than generating these, for handling schema-related unanswerability, and (b) sketch-filling-based construction of candidate logical forms for handling data-related unaswerability. Our results show that RetinaQA significantly outperforms adaptations of state-of-the-art KBQA models in handling both answerable and unanswerable questions and demonstrates robustness across all categories of unanswerability. Notably, RetinaQA also sets a new state-of-the-art for answerable KBQA, surpassing existing models.

In the e-commerce domain, the accurate extraction of attribute-value pairs from product listings (e.g., Brand: Apple) is crucial for enhancing search and recommendation systems. The automation of this extraction process is challenging due to the vast diversity of product categories and their respective attributes, compounded by the lack of extensive, accurately annotated training datasets and the demand for low latency to meet the real-time needs of e-commerce platforms. To address these challenges, we introduce GenToC, a novel two-stage model for extracting attribute-value pairs from product titles. GenToC is designed to train with partially-labeled data, leveraging incomplete attribute-value pairs and obviating the need for a fully annotated dataset. Moreover, we introduce a bootstrapping method that enables GenToC to progressively refine and expand its training dataset. This enhancement substantially improves the quality of data available for training other neural network models that are typically faster but are inherently less capable than GenToC in terms of their capacity to handle partially-labeled data. By supplying an enriched dataset for training, GenToC significantly advances the performance of these alternative models, making them more suitable for real-time deployment. Our results highlight the unique capability of GenToC to learn from a limited set of labeled data and to contribute to the training of more efficient models, marking a significant leap forward in the automated extraction of attribute-value pairs from product titles. GenToC has been successfully integrated into India's largest B2B e-commerce platform, IndiaMART.com, achieving a significant increase of 21.1% in recall over the existing deployed system while maintaining a high precision of 89.5% in this challenging task.

The number of scientific articles produced every year is growing rapidly. Providing quality control over them is crucial for scientists and, ultimately, for the public good. In modern science, this process is largely delegated to peer review -- a distributed procedure in which each submission is evaluated by several independent experts in the field. Peer review is widely used, yet it is hard, time-consuming, and prone to error. Since the artifacts involved in peer review -- manuscripts, reviews, discussions -- are largely text-based, Natural Language Processing has great potential to improve reviewing. As the emergence of large language models (LLMs) has enabled NLP assistance for many new tasks, the discussion on machine-assisted peer review is picking up the pace. Yet, where exactly is help needed, where can NLP help, and where should it stand aside? The goal of our paper is to provide a foundation for the future efforts in NLP for peer-reviewing assistance. We discuss peer review as a general process, exemplified by reviewing at AI conferences. We detail each step of the process from manuscript submission to camera-ready revision, and discuss the associated challenges and opportunities for NLP assistance, illustrated by existing work. We then turn to the big challenges in NLP for peer review as a whole, including data acquisition and licensing, operationalization and experimentation, and ethical issues. To help consolidate community efforts, we create a companion repository that aggregates key datasets pertaining to peer review. Finally, we issue a detailed call for action for the scientific community, NLP and AI researchers, policymakers, and funding bodies to help bring the research in NLP for peer review forward. We hope that our work will help set the agenda for research in machine-assisted scientific quality control in the age of AI, within the NLP community and beyond.

Recent works have explored the use of LLMs for reasoning tasks focussing on relatively simple problems, such as logical question answering. In our work, we wish to tackle more complicated problems, significantly expanding the capabilities of these models. Particularly, we explore whether LLMs can solve challenging first-order combinatorial reasoning problems, an example being the popular puzzle Sudoku. These problems have an underlying first-order structure described by a general description in natural language and can be instantiated to instances of varying sizes. Moreover these problems are computationally intensive requiring several reasoning steps to reach the solution. We present PuzzleBench a dataset of 31 such challenging puzzles. We observe that LLMs even when aided by symbolic solvers perform rather poorly on our benchmark. In response we propose a new approach, Puzzle-LM which combines LLMs with both symbolic solvers and program interpreters enabling them to reason about such challenging problems. We also show how feedback from smaller solved instances can help improve this reasoning ability.

Discovery of new materials has a documented history of propelling human progress for centuries and more. The behaviour of a material is a function of its composition, structure, and properties, which further depend on its processing and testing conditions. Recent developments in deep learning and natural language processing have enabled information extraction at scale from published literature such as peer-reviewed publications, books, and patents. However, this information is spread in multiple formats, such as tables, text, and images, and with little or no uniformity in reporting style giving rise to several machine learning challenges. Here, we discuss, quantify, and document these challenges in automated information extraction (IE) from materials science literature towards the creation of a large materials science knowledge base. Specifically, we focus on IE from text and tables and outline several challenges with examples. We hope the present work inspires researchers to address the challenges in a coherent fashion, providing a fillip to IE towards a materials knowledge base.