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 multi-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.
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In this work, we systematically expose and measure the inconsistency and knowledge gaps of Large Language Models (LLMs). Specifically, we propose an automated testing framework (called KONTEST) which leverages a knowledge graph to construct test cases. KONTEST probes and measures the inconsistencies in the LLM’s knowledge of the world via a combination of semantically-equivalent queries and test oracles (metamorphic or ontological oracle). KONTEST further mitigates knowledge gaps via a weighted LLM model ensemble. Using four state-of-the-art LLMs (Falcon, Gemini, GPT3.5, and Llama2), we show that KONTEST generates 19.2% error inducing inputs (1917 errors from 9979 test inputs). It also reveals a 16.5% knowledge gap across all tested LLMs. A mitigation method informed by KONTEST’s test suite reduces LLM knowledge gap by 32.48%. Our ablation study further shows that GPT3.5 is not suitable for knowledge-based consistency testing because it is only 60%-68% effective in knowledge construction.
In recent years, the rapid increase in scientific papers has overwhelmed traditional review mechanisms, resulting in varying quality of publications. Although existing methods have explored the capabilities of Large Language Models (LLMs) for automated scientific reviewing, their generated contents are often generic or partial. To address the issues above, we introduce an automated paper reviewing framework SEA. It comprises of three modules: Standardization, Evaluation, and Analysis, which are represented by models SEA-S, SEA-E, and SEA-A, respectively. Initially, SEA-S distills data standardization capabilities of GPT-4 for integrating multiple reviews for a paper. Then, SEA-E utilizes standardized data for fine-tuning, enabling it to generate constructive reviews. Finally, SEA-A introduces a new evaluation metric called mismatch score to assess the consistency between paper contents and reviews. Moreover, we design a self-correction strategy to enhance the consistency. Extensive experimental results on datasets collected from eight venues show that SEA can generate valuable insights for authors to improve their papers.
Model fusing has always been an important topic, especially in an era where large language models (LLM) and multi-modal language models (MLM) with different architectures, parameter sizes and training pipelines, are being created all the time. In this work, we propose a post-hoc framework, aiming at fusing heterogeneous models off-the-shell, which we call likelihood composition, and the basic idea is to compose multiple models’ likelihood distribution when doing a multi-choice visual-question-answering task. Here the core concept, likelihood, is actually the log-probability of the candidate answer. In likelihood composition, we introduce some basic operations: debias, highlight, majority-vote and ensemble. By combining (composing) these basic elements, we get the mixed composition methods: mix-composition. Through conducting comprehensive experiments on 9 VQA datasets and 10 MLMs, we prove the effectiveness of mix-composition compared with simple ensemble or majority-vote methods. In this framework, people can propose new basic composition methods and combine them to get the new mixed composition methods. We hope our proposed likelihood composition can provide a new perspective of fusing heterogeneous models and inspire the exploration under this framework.
Retrieval-augmented generation (RAG) methods are viable solutions for addressing the static memory limits of pre-trained language models. Nevertheless, encountering conflicting sources of information within the retrieval context is an inevitable practical challenge. In such situations, the language models are recommended to transparently inform users about the conflicts rather than autonomously deciding what to present based on their inherent biases. To analyze how current large language models (LLMs) align with our recommendation, we introduce WhoQA, a public benchmark dataset to examine model’s behavior in knowledge conflict situations. We induce conflicts by asking about a common property among entities having the same name, resulting in questions with up to 8 distinctive answers. WhoQA evaluation set includes 5K questions across 13 Wikidata property types and 150K Wikipedia entities. Our experiments show that despite the simplicity of WhoQA questions, knowledge conflicts significantly degrades LLMs’ performance in RAG settings.
As large language models (LLMs) gain widespread adoption, ensuring they cater to diverse user needs has become increasingly important. While many researchers have studied LLM personalization and role-playing, they primarily use LLM-as-a-Judge for evaluation without thoroughly examining its validity. This paper investigates the reliability of LLM-as-a-Personalized-Judge—asking LLMs to judge user preferences based on persona. Our results suggest that LLM-as-a-Personalized-Judge is less reliable for personalization than previously believed, showing low agreement with human ground truth. We observed that the personas provided to the LLM often have limited predictive power for the tasks, leading us to introduce verbal uncertainty estimation. We find that powerful LLMs are aware of the certainty of their prediction and can achieve high agreement with ground truth on high-certainty samples, indicating a promising approach for building reliable and scalable proxies for evaluating LLM personalization. Our human annotation reveals that third-person crowd worker evaluations of personalized preferences are even worse than LLM predictions, highlighting the challenges of evaluating LLM personalization.
On the Similarity of Circuits across Languages: a Case Study on the Subject-verb Agreement Task
PDF ↗Several algorithms implemented by language models have recently been successfully reversed-engineered. However, these findings have been concentrated on specific tasks and models, leaving it unclear how universal circuits are across different settings. In this paper, we study the circuits implemented by Gemma 2B for solving the subject-verb agreement task across two different languages, English and Spanish. We discover that both circuits are highly consistent, being mainly driven by a particular attention head writing a ‘subject number’ signal to the last residual stream, which is read by a small set of neurons in the final MLPs. Notably, this subject number signal is represented as a direction in the residual stream space, and is language-independent. Finally, we demonstrate this direction has a causal effect on the model predictions, effectively flipping the Spanish predicted verb number by intervening with the direction found in English.
There has been increasing interest in exploring the capabilities of advanced large language models (LLMs) in the field of information extraction (IE), specifically focusing on tasks related to named entity recognition (NER) and relation extraction (RE). Although researchers are exploring the use of few-shot information extraction through in-context learning with LLMs, they tend to focus only on using correct or positive examples for demonstration, neglecting the potential value of incorporating incorrect or negative examples into the learning process. In this paper, we present C-ICL, a novel few-shot technique that leverages both correct and incorrect sample constructions to create in-context learning demonstrations. This approach enhances the ability of LLMs to extract entities and relations by utilizing prompts that incorporate not only the positive samples but also the reasoning behind them. This method allows for the identification and correction of potential interface errors. Specifically, our proposed method taps into the inherent contextual information and valuable information in hard negative samples and the nearest positive neighbors to the test and then applies the in-context learning demonstrations based on LLMs. Our experiments on various datasets indicate that C-ICL outperforms previous few-shot in-context learning methods, delivering substantial enhancements in performance across a broad spectrum of related tasks. These improvements are noteworthy, showcasing the versatility of our approach in miscellaneous scenarios.
Large Language Models (LLMs) have shown remarkable performance in various basic natural language tasks. For completing the complex task, we still need a plan for the task to guide LLMs to generate the specific solutions step by step. LLMs can directly generate task plans, but these plans may still contain factual errors or are incomplete. A high-quality task plan contains correct step-by-step solutions for solving all situations and behavioral instructions for avoiding mistakes. To obtain it, we propose the Learning to Plan method, which involves two phases: (1) In the first learning task plan phase, it iteratively updates the task plan with new step-by-step solutions and behavioral instructions, which are obtained by prompting LLMs to derive from training error feedback. (2) In the subsequent test phase, the LLM uses the learned task plan to guide the inference of LLM on the test set. We demonstrate the effectiveness of our method on the five different reasoning type tasks (8 datasets). Further, our analysis experiment shows that the task plan learned by one LLM can directly guide another LLM to improve its performance, which reveals a new transfer learning paradigm.
Prompt engineering is pivotal for harnessing the capabilities of large language models (LLMs) across diverse applications. While existing prompt optimization methods improve prompt effectiveness, they often lead to prompt drifting, wherein newly generated prompts canadversely impact previously successful cases while addressing failures. Furthermore, these methods tend to rely heavily on LLMs’ intrinsic capabilities for prompt optimization tasks. In this paper, we introduce STRAGO (StrategicGuided Optimization), a novel approach designed to mitigate prompt drifting by leveraging insights from both successful and failed cases to identify critical factors for achieving optimization objectives. STRAGO employs a how-to-do methodology, integrating in-context learning to formulate specific, actionable strategies that provide detailed, step-by-step guidance for prompt optimization. Extensive experiments conducted across a range of tasks, including reasoning, natural language understanding, domain-specific knowledge, and industrial applications, demonstrate STRAGO’s superior performance. It establishes a new stateof-the-art in prompt optimization, showcasing its ability to deliver stable and effective prompt improvements.
Complex logical reasoning over knowledge graphs lies at the heart of many semantic downstream applications and thus has been extensively explored in recent years. However, nearly all of them overlook the rich semantics of numerical entities (e.g., magnitude, unit, and distribution) and are simply treated as common entities, or even directly removed. It may severely hinder the performance of answering queries involving numerical comparison or numerical computation. To address this issue, we propose the Complex Number and Entity Query model (CNEQ), which comprises a Number-Entity Predictor and an Entity Filter. The Number-Entity Predictor can independently learn the structural and semantic features of entities and numerical values, thereby enabling better prediction of entities as well as numerical values. The Entity Filter can compare or calculate numerical values to filter out entities that meet certain numerical constraints. To evaluate our model, we generated a variety of multi-hop complex logical queries including numerical values on three widely-used Knowledge Graphs: FB15K, DB15K, and YAGO15K. Experimental results demonstrate that CNEQ achieves state-of-the-art results.
With the continuous growth of online communities, understanding their similarities and dissimilarities is more crucial than ever for enhancing digital interactions, maintaining healthy interactions, and improving content recommendation and moderation systems. In this work, we present two novel techniques: BOTS for finding similarity between online communities based on their opinion, and Emb-PSR for finding similarity in the content they post. To facilitate finding the similarity based on opinion, we model the opinions on online communities using upvotes and downvotes as an indicator for community approval. Our results demonstrate that BOTS and Emb-PSR outperform existing techniques at their individual tasks while also being flexible enough to allow for cross-platform comparison of online communities. We demonstrate this novel cross-platform capability by comparing GAB with various subreddits.
The rise of LLM-based agents shows great potential to revolutionize task planning, capturing significant attention. Given that these agents will be integrated into high-stake domains, ensuring their reliability and safety is crucial. This paper presents an Agent-Constitution-based agent framework, TrustAgent, with a particular focus on improving the LLM-based agent safety. The proposed framework ensures strict adherence to the Agent Constitution through three strategic components: pre-planning strategy which injects safety knowledge to the model before plan generation, in-planning strategy which enhances safety during plan generation, and post-planning strategy which ensures safety by post-planning inspection. Our experimental results demonstrate that the proposed framework can effectively enhance an LLM agent’s safety across multiple domains by identifying and mitigating potential dangers during the planning. Further analysis reveals that the framework not only improves safety but also enhances the helpfulness of the agent. Additionally, we highlight the importance of the LLM reasoning ability in adhering to the Constitution. This paper sheds light on how to ensure the safe integration of LLM-based agents into human-centric environments. Data and code are available at https://anonymous.4open.science/r/TrustAgent-06DC.
Sign words are the building blocks of any sign language. In this work, we present wSignGen, a word-conditioned 3D American Sign Language (ASL) generation model dedicated to synthesizing realistic and grammatically accurate motion sequences for sign words. Our approach leverages a transformer-based diffusion model, trained on a curated dataset of 3D motion meshes from word-level ASL videos. By integrating CLIP, wSignGen offers two advantages: image-based generation, which is particularly useful for children learning sign language but not yet able to read, and the ability to generalize to unseen synonyms. Experiments demonstrate that wSignGen significantly outperforms the baseline model in the task of sign word generation. Moreover, human evaluation experiments show that wSignGen can generate high-quality, grammatically correct ASL signs effectively conveyed through 3D avatars.
Vision-language models like CLIP, utilizing class proxies derived from class name text features, have shown a notable capability in zero-shot medical image diagnosis which is vital in scenarios with limited disease databases or labeled samples. However, insufficient medical text precision and the modal disparity between text and vision spaces pose challenges for such paradigm. We show analytically and experimentally that enriching medical texts with detailed descriptions can markedly enhance the diagnosis performance, with the granularity and phrasing of these enhancements having a crucial impact on CLIP’s understanding of medical images; and learning proxies within the vision domain can effectively circumvent the modal gap issue. Based on our analysis, we propose a medical visual proxy learning framework comprising two key components: a text refinement module that create high quality medical text descriptions, and a stable Sinkhorn algorithm for an efficient generation of pseudo labels which further guide the visual proxy learning. Our method elevates the Vanilla CLIP inference by supplying meticulously crafted clues to leverage CLIP’s existing interpretive power and using the feature of refined texts to bridge the vision-text gap. The effectiveness and robustness of our method are clearly demonstrated through extensive experiments. Notably, our method outperforms the state-of-the-art zero-shot medical image diagnosis by a significant margin, ranging from 1.69% to 15.31% on five datasets covering various diseases, confirming its immense potential in zero-shot diagnosis across diverse medical applications.
Built upon the Transformer, large language models (LLMs) have captured worldwide attention due to their remarkable abilities. Nevertheless, all Transformer-based models including LLMs suffer from a preset length limit and can hardly generalize from short training sequences to longer inference ones, namely, they can not perform **length extrapolation** to handle long sequences. Thus, numerous methods have emerged to enhance the length extrapolation of Transformers. Despite the great research efforts, a systematic survey is still lacking. To fill this gap, we delve into these advances in a unified notation from the perspective of positional encoding (PE), as it has been considered the primary factor on length extrapolation. Specifically, we begin with extrapolatable PEs that have dominated this research field. Then, we dive into extrapolation methods based on them, covering position interpolation and randomized position methods. Finally, several challenges and future directions in this area are highlighted. Through this survey, We aim to enable the reader to gain a deep understanding of existing methods and provide stimuli for future research.
Video Discourse Parsing and Its Application to Multimodal Summarization: A Dataset and Baseline Approaches
PDF ↗This paper tackles a new task: discourse parsing for videos, inspired by text discourse parsing based on Rhetorical Structure Theory (RST). The task aims to construct an RST tree for a video to represent its storyline and illustrate the event relationships. We first construct a benchmark dataset by identifying events with their time spans, providing corresponding captions, and constructing RST trees with events as leaves. We then evaluate baseline approaches to video RST parsing: the ‘parsing after captioning’ framework and parsing via visual features. The results show that a parser using gold captions performed the best, while parsers relying on generated captions performed the worst; a parser using visual features provided intermediate performance. However, we observed that parsing via visual features could be improved by pre-training it with video captioning designed to produce a coherent video story. Furthermore, we demonstrated that RST trees obtained from videos contribute to multimodal summarization consisting of keyframes with texts.
Multilingual large language models (MLLMs), trained on multilingual balanced data, demonstrate better zero-shot learning performance in non-English languages compared to large language models trained on English-dominant data. However, the disparity in performance between English and non-English languages remains a challenge yet to be fully addressed. This study introduces a promising direction for enhancing non-English performance through a specialized pruning approach. Specifically, we prune MLLMs using bilingual sentence pairs from English and other languages and empirically demonstrate that this pruning strategy can enhance the MLLMs’ performance in non-English language.
This paper introduces a novel model compression approach through dynamic layer-specific pruning in Large Language Models (LLMs), enhancing the traditional methodology established by SliceGPT. By transitioning from constant to dynamic slicing, our method leverages the newly proposed Layer Redundancy (LR) score, which assesses how much change each layer changes its input by measuring the cosine similarity of the input to the output of the layer. We use this score to prune parts of individual layers based on redundancy in such a way that the average pruned percentage for all layers is a fixed value. We conducted extensive experiments using models like Llama3-8B and Mistral-7B on multiple datasets, evaluating different slicing bases and percentages to determine optimal configurations that balance efficiency and performance. Our findings show that our dynamic slicing approach not only maintains but, in many cases, enhances model performance compared to the baseline established by constant slicing methods. For instance, in several settings, we see performance improvements of up to 5% over the SliceGPT baseline.Additionally, a perplexity decrease by as much as 7% was observed across multiple benchmarks, validating the effectiveness of our method. The code, model weights, and datasets are open-sourced at - https://github.com/RazvanDu/DynamicSlicing
Understanding Faithfulness and Reasoning of Large Language Models on Plain Biomedical Summaries
PDF ↗Generating plain biomedical summaries with Large Language Models (LLMs) can enhance the accessibility of biomedical knowledge to the public. However, how faithful the generated summaries are remains an open yet critical question. To address this, we propose FaReBio, a benchmark dataset with expert-annotated Faithfulness and Reasoning on plain Biomedical Summaries. This dataset consists of 175 plain summaries ($,445 sentences) generated by seven different LLMs, paired with source articles. Using our dataset, we identify the performance gap of LLMs in generating faithful plain biomedical summaries and observe a negative correlation between abstractiveness and faithfulness. We also show that current faithfulness evaluation metrics do not work well in the biomedical domain and confirm the over-confident tendency of LLMs as faithfulness evaluators. To better understand the faithfulness judgements, we further benchmark LLMs in retrieving supporting evidence and show the gap of LLMs in reasoning faithfulness evaluation at different abstractiveness levels. Going beyond the binary faithfulness labels, coupled with the annotation of supporting sentences, our dataset could further contribute to the understanding of faithfulness evaluation and reasoning.