Sameera Horawalavithana


2024

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SCITUNE: Aligning Large Language Models with Human-Curated Scientific Multimodal Instructions
Sameera Horawalavithana | Sai Munikoti | Ian Stewart | Henry Kvinge | Karl Pazdernik
Proceedings of the 1st Workshop on NLP for Science (NLP4Science)

Instruction finetuning is a popular paradigm to align large language models (LLM) with human intent. Despite its popularity, this idea is less explored in improving LLMs to align existing foundation models with scientific disciplines, concepts and goals. In this work, we present SciTune as a tuning framework to improve the ability of LLMs to follow multimodal instructions generated from scientific publications. To test our methodology, we train a large multimodal model LLaMA-SciTune that connects a vision encoder and LLM for science-focused visual and language understanding. LLaMA-SciTune significantly outperforms the state-of-the-art models in the generated figure types and captions in SciCap and VisText benchmarks. In comparison to the models that are finetuned with synthetic data only, LLaMA-SciTune surpasses human performance on average and in many sub-categories on the ScienceQA benchmark. Our results demonstrate that human-generated scientific multimodal instructions remain highly valuable in tuning LLMs to perform well on science tasks, despite their lower volume and relative scarcity compared to synthetic data.

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Evaluating the Effectiveness of Retrieval-Augmented Large Language Models in Scientific Document Reasoning
Sai Munikoti | Anurag Acharya | Sridevi Wagle | Sameera Horawalavithana
Proceedings of the Fourth Workshop on Scholarly Document Processing (SDP 2024)

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to solve these issues by retrieving relevant information from external data sources and augment the training process. These models help to trace evidence from an externally provided knowledge base allowing the model predictions to be better interpreted and verified. In this work, we critically evaluate these models in their ability to perform in scientific document reasoning tasks. To this end, we tuned multiple such model variants with science-focused instructions and evaluated them on a scientific document reasoning benchmark for the usefulness of the retrieved document passages. Our findings suggest that models justify predictions in science tasks with fabricated evidence and leveraging scientific corpus as pretraining data does not alleviate the risk of evidence fabrication.

2022

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Foundation Models of Scientific Knowledge for Chemistry: Opportunities, Challenges and Lessons Learned
Sameera Horawalavithana | Ellyn Ayton | Shivam Sharma | Scott Howland | Megha Subramanian | Scott Vasquez | Robin Cosbey | Maria Glenski | Svitlana Volkova
Proceedings of BigScience Episode #5 -- Workshop on Challenges & Perspectives in Creating Large Language Models

Foundation models pre-trained on large corpora demonstrate significant gains across many natural language processing tasks and domains e.g., law, healthcare, education, etc. However, only limited efforts have investigated the opportunities and limitations of applying these powerful models to science and security applications. In this work, we develop foundation models of scientific knowledge for chemistry to augment scientists with the advanced ability to perceive and reason at scale previously unimagined. Specifically, we build large-scale (1.47B parameter) general-purpose models for chemistry that can be effectively used to perform a wide range of in-domain and out-of-domain tasks. Evaluating these models in a zero-shot setting, we analyze the effect of model and data scaling, knowledge depth, and temporality on model performance in context of model training efficiency. Our novel findings demonstrate that (1) model size significantly contributes to the task performance when evaluated in a zero-shot setting; (2) data quality (aka diversity) affects model performance more than data quantity; (3) similarly, unlike previous work, temporal order of the documents in the corpus boosts model performance only for specific tasks, e.g., SciQ; and (4) models pre-trained from scratch perform better on in-domain tasks than those tuned from general-purpose models like Open AI’s GPT-2.