ChemSafetyBench: Benchmarking LLM Safety on Chemistry Domain

The advancement and extensive application of large language models (LLMs) have been remarkable, including their use in scientific research assistance. However, these models often generate scientifically incorrect or unsafe responses, and in some cases, they may encourage users to engage in dangerous behavior. To address this issue in the field of chemistry, we introduce ChemSafetyBench, a benchmark designed to evaluate the accuracy and safety of LLM responses. ChemSafetyBench encompasses three key tasks: querying chemical properties, assessing the legality of chemical uses, and describing synthesis methods, each requiring increasingly deeper chemical knowledge. Our dataset has more than 30K samples across various chemical materials. We incorporate handcrafted templates and advanced jailbreaking scenarios to enhance task diversity. Our automated evaluation framework thoroughly assesses the safety, accuracy, and appropriateness of LLM responses. Extensive experiments with state-of-the-art LLMs reveal notable strengths and critical vulnerabilities, underscoring the need for robust safety measures. ChemSafetyBench aims to be a pivotal tool in developing safer AI technologies in chemistry. Our code and dataset are available at https://github.com/HaochenZhao/SafeAgent4Chem. Warning: this paper contains discussions on the synthesis of controlled chemicals using AI models.

FinDVer: Explainable Claim Verification over Long and Hybrid-Content Financial Documents

We introduce FinDVer, a comprehensive benchmark specifically designed to evaluate the explainable claim verification capabilities of LLMs in the context of understanding and analyzing long, hybrid-content financial documents. FinDVer contains 2,400 expert-annotated examples, divided into three subsets: information extraction, numerical reasoning, and knowledge-intensive reasoning, each addressing common scenarios encountered in real-world financial contexts. We assess a broad spectrum of LLMs under long-context and RAG settings. Our results show that even the current best-performing system, GPT-4o, still lags behind human experts. We further provide in-depth analysis on long-context and RAG setting, Chain-of-Thought reasoning, and model reasoning errors, offering insights to drive future advancements. We believe that FinDVer can serve as a valuable benchmark for evaluating LLMs in claim verification over complex, expert-domain documents.

OpenDevin: An Open Platform for AI Software Developers as Generalist Agents

Software is one of the most powerful tools that we humans have at our disposal; it allows a skilled programmer to interact with the world in complex and profound ways. At the same time, thanks to improvements in large language models (LLMs), there has also been a rapid development in AI agents that interact with and affect change in their surrounding environments. In this paper, we introduce OpenDevin, a platform for the development of powerful and flexible AI agents that interact with the world in similar ways to those of a human developer: by writing code, interacting with a command line, and browsing the web. We describe how the platform allows for the implementation of new agents, safe interaction with sandboxed environments for code execution, coordination between multiple agents, and incorporation of evaluation benchmarks. Based on our currently incorporated benchmarks, we perform an evaluation of agents over 15 challenging tasks, including software engineering (e.g., SWE-Bench) and web browsing (e.g., WebArena), among others. Released under the permissive MIT license, OpenDevin is a community project spanning academia and industry with more than 1.3K contributions from over 160 contributors and will improve going forward.

Unveiling the Spectrum of Data Contamination in Language Models: A Survey from Detection to Remediation

Data contamination has garnered increased attention in the era of large language models (LLMs) due to the reliance on extensive internet-derived training corpora. The issue of training corpus overlap with evaluation benchmarks--referred to as contamination--has been the focus of significant recent research. This body of work aims to identify contamination, understand its impacts, and explore mitigation strategies from diverse perspectives. However, comprehensive studies that provide a clear pathway from foundational concepts to advanced insights are lacking in this nascent field. Therefore, we present a comprehensive survey in the field of data contamination, laying out the key issues, methodologies, and findings to date, and highlighting areas in need of further research and development. In particular, we begin by examining the effects of data contamination across various stages and forms. We then provide a detailed analysis of current contamination detection methods, categorizing them to highlight their focus, assumptions, strengths, and limitations. We also discuss mitigation strategies, offering a clear guide for future research. This survey serves as a succinct overview of the most recent advancements in data contamination research, providing a straightforward guide for the benefit of future research endeavors.

Step-Back Profiling: Distilling User History for Personalized Scientific Writing

Large language models (LLMs) excel at a variety of natural language processing tasks, yet they struggle to generate personalized content for individuals, particularly in real-world scenarios like scientific writing. Addressing this challenge, we introduce Step-Back Profiling to personalize LLMs by distilling user history into concise profiles, including essential traits and preferences of users. Regarding our experiments, we construct a Personalized Scientific Writing (PSW) dataset to study multiuser personalization. PSW requires the models to write scientific papers given specialized author groups with diverse academic backgrounds. As for the results, we demonstrate the effectiveness of capturing user characteristics via Step-Back Profiling for collaborative writing. Moreover, our approach outperforms the baselines by up to 3.6 points on the general personalization benchmark (LaMP), including 7 personalization LLM tasks. Our extensive ablation studies validate the contributions of different components in our method and provide insights into our task definition. Our dataset and code are available at \url{https://github.com/gersteinlab/step-back-profiling}.

PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes

Multimodal Large Language Models (MLLMs) have seen growing adoption across various scientific disciplines. These advancements encourage the investigation of molecule-text modeling within synthetic chemistry, a field dedicated to designing and conducting chemical reactions to synthesize new compounds with desired properties and applications. Current approaches, however, often neglect the critical role of multiple molecule graph interaction in understanding chemical reactions, leading to suboptimal performance in synthetic chemistry tasks. This study introduces PRESTO(Progressive Pretraining Enhances Synthetic Chemistry Outcomes), a new framework that bridges the molecule-text modality gap by integrating a comprehensive benchmark of pretraining strategies and dataset configurations. It progressively improves multimodal LLMs through cross-modal alignment and multi-graph understanding. Our extensive experiments demonstrate that PRESTO offers competitive results in downstream synthetic chemistry tasks. The code can be found at https://github.com/IDEA-XL/PRESTO.

Lessons from the Trenches on Reproducible Evaluation of Language Models

Effective evaluation of language models remains an open challenge in NLP. Researchers and engineers face methodological issues such as the sensitivity of models to evaluation setup, difficulty of proper comparisons across methods, and the lack of reproducibility and transparency. In this paper we draw on three years of experience in evaluating large language models to provide guidance and lessons for researchers. First, we provide an overview of common challenges faced in language model evaluation. Second, we delineate best practices for addressing or lessening the impact of these challenges on research. Third, we present the Language Model Evaluation Harness (lm-eval): an open source library for independent, reproducible, and extensible evaluation of language models that seeks to address these issues. We describe the features of the library as well as case studies in which the library has been used to alleviate these methodological concerns.

MIMIR: A Streamlined Platform for Personalized Agent Tuning in Domain Expertise

Recently, large language models (LLMs) have evolved into interactive agents, proficient in planning, tool use, and task execution across a wide variety of tasks. However, without specific agent tuning, open-source models like LLaMA currently struggle to match the efficiency of GPT- 4, particularly given the scarcity of agent-tuning datasets for fine-tuning. In response, we introduce \textsc{Mimir}: a streamlined platform offering a customizable pipeline that enables users to leverage both private knowledge and publicly available, legally compliant datasets at scale for \textbf{personalized agent tuning}. Additionally, \textsc{Mimir} supports the generation of general instruction-tuning datasets from the same input. This dual capability ensures that language agents developed through the platform possess both specific agent abilities and general competencies. \textsc{Mimir} integrates these features into a cohesive end-to-end platform, facilitating everything from the uploading of personalized files to one-click agent fine-tuning.

Data Interpreter: An LLM Agent For Data Science

Large Language Model (LLM)-based agents have demonstrated remarkable effectiveness. However, their performance can be compromised in data science scenarios that require real-time data adjustment, expertise in optimization due to complex dependencies among various tasks, and the ability to identify logical errors for precise reasoning. In this study, we introduce the Data Interpreter, a solution designed to solve with code that emphasizes three pivotal techniques to augment problem-solving in data science: 1) dynamic planning with hierarchical graph structures for real-time data adaptability;2) tool integration dynamically to enhance code proficiency during execution, enriching the requisite expertise;3) logical inconsistency identification in feedback, and efficiency enhancement through experience recording. We evaluate the Data Interpreter on various data science and real-world tasks. Compared to open-source baselines, it demonstrated superior performance, exhibiting significant improvements in machine learning tasks, increasing from 0.86 to 0.95. Additionally, it showed a 26% increase in the MATH dataset and a remarkable 112% improvement in open-ended tasks. The solution will be released at https://github.com/geekan/MetaGPT.

StarCoder 2 and The Stack v2: The Next Generation

The BigCode project, an open-scientific collaboration focused on the responsible development of Large Language Models for Code (Code LLMs), introduces StarCoder2. In partnership with Software Heritage (SWH), we build The Stack v2 on top of the digital commons of their source code archive. Alongside the SWH repositories spanning 619 programming languages, we carefully select other high-quality data sources, such as GitHub pull requests, Kaggle notebooks, and code documentation. This results in a training set that is 4x larger than the first StarCoder dataset. We train StarCoder2 models with 3B, 7B, and 15B parameters on 3.3 to 4.3 trillion tokens and thoroughly evaluate them on a comprehensive set of Code LLM benchmarks. We find that our small model, StarCoder2-3B, outperforms other Code LLMs of similar size on most benchmarks, and also outperforms StarCoderBase-15B. Our large model, StarCoder2- 15B, significantly outperforms other models of comparable size. In addition, it matches or outperforms CodeLlama-34B, a model more than twice its size. Although DeepSeekCoder- 33B is the best-performing model at code completion for high-resource languages, we find that StarCoder2-15B outperforms it on math and code reasoning benchmarks, as well as several low-resource languages. We make the model weights available under an OpenRAIL license and ensure full transparency regarding the training data by releasing the SoftWare Heritage persistent IDentifiers (SWHIDs) of the source code data.