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.

M3SciQA: A Multi-Modal Multi-Document Scientific QA Benchmark for Evaluating Foundation Models

Existing benchmarks for evaluating foundation models mainly focus on single-document, text-only tasks. However, they often fail to fully capture the complexity of research workflows, which typically involve interpreting non-textual data and gathering information across multiple documents. To address this gap, we introduce M3SciQA, a multi-modal, multi-document scientific question answering benchmark designed for a more comprehensive evaluation of foundation models. M3SciQA consists of 1,452 expert-annotated questions spanning 70 natural language processing paper clusters, where each cluster represents a primary paper along with all its cited documents, mirroring the workflow of comprehending a single paper by requiring multi-modal and multi-document data. With M3SciQA, we conduct a comprehensive evaluation of 18 foundation models. Our results indicate that current foundation models still significantly underperform compared to human experts in multi-modal information retrieval and in reasoning across multiple scientific documents. Additionally, we explore the implications of these findings for the future advancement of applying foundation models in multi-modal scientific literature analysis.

TOMATO: Assessing Visual Temporal Reasoning Capabilities in Multimodal Foundation Models

Existing benchmarks often highlight the remarkable performance achieved by state-of-the-art Multimodal Foundation Models (MFMs) in leveraging temporal context for video understanding. However, how well do the models truly perform visual temporal reasoning? Our study of existing benchmarks shows that this capability of MFMs is likely overestimated as many questions can be solved by using a single, few, or out-of-order frames. To systematically examine current visual temporal reasoning tasks, we propose three principles with corresponding metrics: (1) Multi-Frame Gain, (2) Frame Order Sensitivity, and (3) Frame Information Disparity. Following these principles, we introduce TOMATO, Temporal Reasoning Multimodal Evaluation, a novel benchmark crafted to rigorously assess MFMs' temporal reasoning capabilities in video understanding. TOMATO comprises 1,484 carefully curated, human-annotated questions spanning six tasks (i.e., action count, direction, rotation, shape & trend, velocity & frequency, and visual cues), applied to 1,417 videos, including 805 self-recorded and -generated videos, that encompass human-centric, real-world, and simulated scenarios. Our comprehensive evaluation reveals a human-model performance gap of 57.3% with the best-performing model. Moreover, our in-depth analysis uncovers more fundamental limitations beyond this gap in current MFMs. While they can accurately recognize events in isolated frames, they fail to interpret these frames as a continuous sequence. We believe TOMATO will serve as a crucial testbed for evaluating the next-generation MFMs and as a call to the community to develop AI systems capable of comprehending human world dynamics through the video modality.

P-FOLIO: Evaluating and Improving Logical Reasoning with Abundant Human-Written Reasoning Chains

Existing methods on understanding the capabilities of LLMs in logical reasoning rely on binary entailment classification or synthetically derived rationales, which are not sufficient for proper investigation of model's capabilities. We present P-FOLIO, a human-annotated dataset consisting of diverse and complex reasoning chains for a set of realistic logical reasoning stories also written by humans. P-FOLIO is collected with an annotation protocol that facilitates humans to annotate well-structured natural language proofs for first-order logic reasoning problems in a step-by-step manner. The number of reasoning steps in P-FOLIO span from 0 to 20. We further use P-FOLIO to evaluate and improve large-language-model (LLM) reasoning capabilities. We evaluate LLM reasoning capabilities at a fine granularity via single-step inference rule classification, with more diverse inference rules of more diverse and higher levels of complexities than previous works. Given that a single model-generated reasoning chain could take a completely different path than the human-annotated one, we sample multiple reasoning chains from a model and use pass@k metrics for evaluating the quality of model-generated reasoning chains. We show that human-written reasoning chains significantly boost the logical reasoning capabilities of LLMs via many-shot prompting and fine-tuning. Furthermore, fine-tuning Llama3-7B on P-FOLIO improves the model performance by 10% or more on three other out-of-domain logical reasoning datasets. We also conduct detailed analysis to show where most powerful LLMs fall short in reasoning. We will release the dataset and code publicly.

ReIFE: Re-evaluating Instruction-Following Evaluation

The automatic evaluation of instruction following typically involves using large language models (LLMs) to assess response quality. However, there is a lack of comprehensive evaluation of these LLM-based evaluators across two dimensions: the base LLMs and the evaluation protocols. Therefore, we present a thorough meta-evaluation of instruction following, including 25 base LLMs and 15 recently proposed evaluation protocols, on 4 human-annotated datasets, assessing the evaluation accuracy of the LLM-evaluators. Our evaluation allows us to identify the best-performing base LLMs and evaluation protocols with a high degree of robustness. Moreover, our large-scale evaluation reveals: (1) Base LLM performance ranking remains largely consistent across evaluation protocols, with less capable LLMs showing greater improvement from protocol enhancements; (2) Robust evaluation of evaluation protocols requires many base LLMs with varying capability levels, as protocol effectiveness can depend on the base LLM used; (3) Evaluation results on different datasets are not always consistent, so a rigorous evaluation requires multiple datasets with distinctive features. We release our meta-evaluation suite ReIFE, which provides the codebase and evaluation result collection for more than 500 LLM-evaluator configurations, to support future research in instruction-following evaluation.

Open-FinLLMs: Open Multimodal Large Language Models for Financial Applications

Large language models (LLMs) have advanced financial applications, yet they often lack sufficient financial knowledge and struggle with tasks involving multi-modal inputs like tables and time series data. To address these limitations, we introduce \textit{Open-FinLLMs}, a series of Financial LLMs. We begin with FinLLaMA, pre-trained on a 52 billion token financial corpus, incorporating text, tables, and time-series data to embed comprehensive financial knowledge. FinLLaMA is then instruction fine-tuned with 573K financial instructions, resulting in FinLLaMA-instruct, which enhances task performance. Finally, we present FinLLaVA, a multimodal LLM trained with 1.43M image-text instructions to handle complex financial data types. Extensive evaluations demonstrate FinLLaMA's superior performance over LLaMA3-8B, LLaMA3.1-8B, and BloombergGPT in both zero-shot and few-shot settings across 19 and 4 datasets, respectively. FinLLaMA-instruct outperforms GPT-4 and other Financial LLMs on 15 datasets. FinLLaVA excels in understanding tables and charts across 4 multimodal tasks. Additionally, FinLLaMA achieves impressive Sharpe Ratios in trading simulations, highlighting its robust financial application capabilities. We will continually maintain and improve our models and benchmarks to support ongoing innovation in academia and industry.

SuperEncoder: Towards Universal Neural Approximate Quantum State Preparation

Numerous quantum algorithms operate under the assumption that classical data has already been converted into quantum states, a process termed Quantum State Preparation (QSP). However, achieving precise QSP requires a circuit depth that scales exponentially with the number of qubits, making it a substantial obstacle in harnessing quantum advantage. Recent research suggests using a Parameterized Quantum Circuit (PQC) to approximate a target state, offering a more scalable solution with reduced circuit depth compared to precise QSP. Despite this, the need for iterative updates of circuit parameters results in a lengthy runtime, limiting its practical application. In this work, we demonstrate that it is possible to leverage a pre-trained neural network to directly generate the QSP circuit for arbitrary quantum state, thereby eliminating the significant overhead of online iterations. Our study makes a steady step towards a universal neural designer for approximate QSP.

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}.

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.