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Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific knowledge are stored in structured databases, which limits the model's ability to sustain coherent dialogue when used directly. Secondly, there is an absence of objective and fair benchmark that encompass most chemistry tasks. Here, we introduce ChemLLM, a comprehensive framework that features the first LLM dedicated to chemistry. It also includes ChemData, a dataset specifically designed for instruction tuning, and ChemBench, a robust benchmark covering nine essential chemistry tasks. ChemLLM is adept at performing various tasks across chemical disciplines with fluid dialogue interaction. Notably, ChemLLM achieves results comparable to GPT-4 on the core chemical tasks and demonstrates competitive performance with LLMs of similar size in general scenarios. ChemLLM paves a new path for exploration in chemical studies, and our method of incorporating structured chemical knowledge into dialogue systems sets a new standard for developing LLMs in various scientific fields. Codes, Datasets, and Model weights are publicly accessible at //hf.co/AI4Chem

Embedding models play a pivot role in modern NLP applications such as IR and RAG. While the context limit of LLMs has been pushed beyond 1 million tokens, embedding models are still confined to a narrow context window not exceeding 8k tokens, refrained from application scenarios requiring long inputs such as legal contracts. This paper explores context window extension of existing embedding models, pushing the limit to 32k without requiring additional training. First, we examine the performance of current embedding models for long context retrieval on our newly constructed LongEmbed benchmark. LongEmbed comprises two synthetic tasks and four carefully chosen real-world tasks, featuring documents of varying length and dispersed target information. Benchmarking results underscore huge room for improvement in these models. Based on this, comprehensive experiments show that training-free context window extension strategies like position interpolation can effectively extend the context window of existing embedding models by several folds, regardless of their original context being 512 or beyond 4k. Furthermore, for models employing absolute position encoding (APE), we show the possibility of further fine-tuning to harvest notable performance gains while strictly preserving original behavior for short inputs. For models using rotary position embedding (RoPE), significant enhancements are observed when employing RoPE-specific methods, such as NTK and SelfExtend, indicating RoPE's superiority over APE for context window extension. To facilitate future research, we release E5-Base-4k and E5-RoPE-Base, along with the LongEmbed benchmark.

We introduce Blink, a new benchmark for multimodal language models (LLMs) that focuses on core visual perception abilities not found in other evaluations. Most of the Blink tasks can be solved by humans "within a blink" (e.g., relative depth estimation, visual correspondence, forensics detection, and multi-view reasoning). However, we find these perception-demanding tasks cast significant challenges for current multimodal LLMs because they resist mediation through natural language. Blink reformats 14 classic computer vision tasks into 3,807 multiple-choice questions, paired with single or multiple images and visual prompting. While humans get 95.70% accuracy on average, Blink is surprisingly challenging for existing multimodal LLMs: even the best-performing GPT-4V and Gemini achieve accuracies of 51.26% and 45.72%, only 13.17% and 7.63% higher than random guessing, indicating that such perception abilities have not "emerged" yet in recent multimodal LLMs. Our analysis also highlights that specialist CV models could solve these problems much better, suggesting potential pathways for future improvements. We believe Blink will stimulate the community to help multimodal LLMs catch up with human-level visual perception.

The recent surge in artificial intelligence (AI), characterized by the prominence of large language models (LLMs), has ushered in fundamental transformations across the globe. However, alongside these advancements, concerns surrounding the legitimacy of LLMs have grown, posing legal challenges to their extensive applications. Compounding these concerns, the parameters of LLMs are often treated as intellectual property, restricting direct investigations. In this study, we address a fundamental challenge within the realm of AI legislation: the need to establish the authenticity of outputs generated by LLMs. To tackle this issue, we present zkLLM, which stands as the inaugural specialized zero-knowledge proof tailored for LLMs to the best of our knowledge. Addressing the persistent challenge of non-arithmetic operations in deep learning, we introduce tlookup, a parallelized lookup argument designed for non-arithmetic tensor operations in deep learning, offering a solution with no asymptotic overhead. Furthermore, leveraging the foundation of tlookup, we introduce zkAttn, a specialized zero-knowledge proof crafted for the attention mechanism, carefully balancing considerations of running time, memory usage, and accuracy. Empowered by our fully parallelized CUDA implementation, zkLLM emerges as a significant stride towards achieving efficient zero-knowledge verifiable computations over LLMs. Remarkably, for LLMs boasting 13 billion parameters, our approach enables the generation of a correctness proof for the entire inference process in under 15 minutes. The resulting proof, compactly sized at less than 200 kB, is designed to uphold the privacy of the model parameters, ensuring no inadvertent information leakage.

Large language models (LLMs) are highly capable of many tasks but they can sometimes generate unreliable or inaccurate outputs. To tackle this issue, this paper studies the problem of uncertainty estimation and calibration for LLMs. We begin by formulating the uncertainty estimation problem for LLMs and then propose a supervised approach that takes advantage of the labeled datasets and estimates the uncertainty of the LLMs' responses. Based on the formulation, we illustrate the difference between the uncertainty estimation for LLMs and that for standard ML models and explain why the hidden activations of the LLMs contain uncertainty information. Our designed approach effectively demonstrates the benefits of utilizing hidden activations for enhanced uncertainty estimation across various tasks and shows robust transferability in out-of-distribution settings. Moreover, we distinguish the uncertainty estimation task from the uncertainty calibration task and show that a better uncertainty estimation mode leads to a better calibration performance. In practice, our method is easy to implement and is adaptable to different levels of model transparency including black box, grey box, and white box, each demonstrating strong performance based on the accessibility of the LLM's internal mechanisms.

Mainstream poisoning attacks on large language models (LLMs) typically set a fixed trigger in the input instance and specific responses for triggered queries. However, the fixed trigger setting (e.g., unusual words) may be easily detected by human detection, limiting the effectiveness and practicality in real-world scenarios. To enhance the stealthiness of the trigger, we present a poisoning attack against LLMs that is triggered by a generation/output condition-token limitation, which is a commonly adopted strategy by users for reducing costs. The poisoned model performs normally for output without token limitation, while becomes harmful for output with limited tokens. To achieve this objective, we introduce BrieFool, an efficient attack framework. It leverages the characteristics of generation limitation by efficient instruction sampling and poisoning data generation, thereby influencing the behavior of LLMs under target conditions. Our experiments demonstrate that BrieFool is effective across safety domains and knowledge domains. For instance, with only 20 generated poisoning examples against GPT-3.5-turbo, BrieFool achieves a 100% Attack Success Rate (ASR) and a 9.28/10 average Harmfulness Score (HS) under token limitation conditions while maintaining the benign performance.

Since the launch of ChatGPT, a powerful AI Chatbot developed by OpenAI, large language models (LLMs) have made significant advancements in both academia and industry, bringing about a fundamental engineering paradigm shift in many areas. While LLMs are powerful, it is also crucial to best use their power where "prompt'' plays a core role. However, the booming LLMs themselves, including excellent APIs like ChatGPT, have several inherent limitations: 1) temporal lag of training data, and 2) the lack of physical capabilities to perform external actions. Recently, we have observed the trend of utilizing prompt-based tools to better utilize the power of LLMs for downstream tasks, but a lack of systematic literature and standardized terminology, partly due to the rapid evolution of this field. Therefore, in this work, we survey related prompting tools and promote the concept of the "Prompting Framework" (PF), i.e. the framework for managing, simplifying, and facilitating interaction with large language models. We define the lifecycle of the PF as a hierarchical structure, from bottom to top, namely: Data Level, Base Level, Execute Level, and Service Level. We also systematically depict the overall landscape of the emerging PF field and discuss potential future research and challenges. To continuously track the developments in this area, we maintain a repository at //github.com/lxx0628/Prompting-Framework-Survey, which can be a useful resource sharing platform for both academic and industry in this field.

Large language models (LLMs) have demonstrated impressive capabilities in natural language processing. However, their internal mechanisms are still unclear and this lack of transparency poses unwanted risks for downstream applications. Therefore, understanding and explaining these models is crucial for elucidating their behaviors, limitations, and social impacts. In this paper, we introduce a taxonomy of explainability techniques and provide a structured overview of methods for explaining Transformer-based language models. We categorize techniques based on the training paradigms of LLMs: traditional fine-tuning-based paradigm and prompting-based paradigm. For each paradigm, we summarize the goals and dominant approaches for generating local explanations of individual predictions and global explanations of overall model knowledge. We also discuss metrics for evaluating generated explanations, and discuss how explanations can be leveraged to debug models and improve performance. Lastly, we examine key challenges and emerging opportunities for explanation techniques in the era of LLMs in comparison to conventional machine learning models.

The emergence of large language models (LLMs) has substantially influenced natural language processing, demonstrating exceptional results across various tasks. In this study, we employ ``Introspective Tips" to facilitate LLMs in self-optimizing their decision-making. By introspectively examining trajectories, LLM refines its policy by generating succinct and valuable tips. Our method enhances the agent's performance in both few-shot and zero-shot learning situations by considering three essential scenarios: learning from the agent's past experiences, integrating expert demonstrations, and generalizing across diverse games. Importantly, we accomplish these improvements without fine-tuning the LLM parameters; rather, we adjust the prompt to generalize insights from the three aforementioned situations. Our framework not only supports but also emphasizes the advantage of employing LLM in in-contxt decision-making. Experiments involving over 100 games in TextWorld illustrate the superior performance of our approach.

Knowledge enhanced pre-trained language models (K-PLMs) are shown to be effective for many public tasks in the literature but few of them have been successfully applied in practice. To address this problem, we propose K-AID, a systematic approach that includes a low-cost knowledge acquisition process for acquiring domain knowledge, an effective knowledge infusion module for improving model performance, and a knowledge distillation component for reducing the model size and deploying K-PLMs on resource-restricted devices (e.g., CPU) for real-world application. Importantly, instead of capturing entity knowledge like the majority of existing K-PLMs, our approach captures relational knowledge, which contributes to better-improving sentence-level text classification and text matching tasks that play a key role in question answering (QA). We conducted a set of experiments on five text classification tasks and three text matching tasks from three domains, namely E-commerce, Government, and Film&TV, and performed online A/B tests in E-commerce. Experimental results show that our approach is able to achieve substantial improvement on sentence-level question answering tasks and bring beneficial business value in industrial settings.