Large Language Models (LLMs) have gained considerable traction within the Software Engineering (SE) community, impacting various SE tasks from code completion to test generation, from program repair to code summarization. Despite their promise, researchers must still be careful as numerous intricate factors can influence the outcomes of experiments involving LLMs. This paper initiates an open discussion on potential threats to the validity of LLM-based research including issues such as closed-source models, possible data leakage between LLM training data and research evaluation, and the reproducibility of LLM-based findings. In response, this paper proposes a set of guidelines tailored for SE researchers and Language Model (LM) providers to mitigate these concerns. The implications of the guidelines are illustrated using existing good practices followed by LLM providers and a practical example for SE researchers in the context of test case generation.
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大語言模型是基于海量文本數據訓練的深度學習模型。它不僅能夠生成自然語言文本，還能夠深入理解文本含義，處理各種自然語言任務，如文本摘要、問答、翻譯等。2023年，大語言模型及其在人工智能領域的應用已成為全球科技研究的熱點，其在規模上的增長尤為引人注目，參數量已從最初的十幾億躍升到如今的一萬億。參數量的提升使得模型能夠更加精細地捕捉人類語言微妙之處，更加深入地理解人類語言的復雜性。在過去的一年里，大語言模型在吸納新知識、分解復雜任務以及圖文對齊等多方面都有顯著提升。隨著技術的不斷成熟，它將不斷拓展其應用范圍，為人類提供更加智能化和個性化的服務，進一步改善人們的生活和生產方式。
The Butterfly Effect, a concept originating from chaos theory, underscores how small changes can have significant and unpredictable impacts on complex systems. In the context of AI fairness and bias, the Butterfly Effect can stem from a variety of sources, such as small biases or skewed data inputs during algorithm development, saddle points in training, or distribution shifts in data between training and testing phases. These seemingly minor alterations can lead to unexpected and substantial unfair outcomes, disproportionately affecting underrepresented individuals or groups and perpetuating pre-existing inequalities. Moreover, the Butterfly Effect can amplify inherent biases within data or algorithms, exacerbate feedback loops, and create vulnerabilities for adversarial attacks. Given the intricate nature of AI systems and their societal implications, it is crucial to thoroughly examine any changes to algorithms or input data for potential unintended consequences. In this paper, we envision both algorithmic and empirical strategies to detect, quantify, and mitigate the Butterfly Effect in AI systems, emphasizing the importance of addressing these challenges to promote fairness and ensure responsible AI development.
In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain knowledge. This paper provides a thorough exploration of the nuanced methodologies employed in integrating LLMs into the field of chemistry, delving into the complexities and innovations at this interdisciplinary juncture. Specifically, our analysis begins with examining how molecular information is fed into LLMs through various representation and tokenization methods. We then categorize chemical LLMs into three distinct groups based on the domain and modality of their input data, and discuss approaches for integrating these inputs for LLMs. Furthermore, this paper delves into the pretraining objectives with adaptations to chemical LLMs. After that, we explore the diverse applications of LLMs in chemistry, including novel paradigms for their application in chemistry tasks. Finally, we identify promising research directions, including further integration with chemical knowledge, advancements in continual learning, and improvements in model interpretability, paving the way for groundbreaking developments in the field.
In the field of natural language processing (NLP), Large Language Models (LLMs) have precipitated a paradigm shift, markedly enhancing performance in natural language generation tasks. Despite these advancements, the comprehensive evaluation of LLMs remains an inevitable challenge for the community. Recently, the utilization of Multiple Choice Question Answering (MCQA) as a benchmark for LLMs has gained considerable traction. This study investigates the rationality of MCQA as an evaluation method for LLMs. If LLMs genuinely understand the semantics of questions, their performance should exhibit consistency across the varied configurations derived from the same questions. Contrary to this expectation, our empirical findings suggest a notable disparity in the consistency of LLM responses, which we define as REsponse VAriability Syndrome (REVAS) of the LLMs, indicating that current MCQA-based benchmarks may not adequately capture the true capabilities of LLMs, which underscores the need for more robust evaluation mechanisms in assessing the performance of LLMs.
Large language models (LLMs) have garnered significant attention in both the AI community and beyond. Among these, the Generative Pre-trained Transformer (GPT) has emerged as the dominant architecture, spawning numerous variants. However, these variants have undergone pre-training under diverse conditions, including variations in input data, data preprocessing, and training methodologies, resulting in a lack of controlled comparative studies. Here we meticulously examine two prominent open-sourced GPT architectures, GPT-NeoX and LLaMA, leveraging the computational power of Frontier, the world's first Exascale supercomputer. Employing the same materials science text corpus and a comprehensive end-to-end pipeline, we conduct a comparative analysis of their training and downstream performance. Our efforts culminate in achieving state-of-the-art performance on a challenging materials science benchmark. Furthermore, we investigate the computation and energy efficiency, and propose a computationally efficient method for architecture design. To our knowledge, these pre-trained models represent the largest available for materials science. Our findings provide practical guidance for building LLMs on HPC platforms.
Parity reasoning is challenging for Conflict-Driven Clause Learning (CDCL) SAT solvers. This has been observed even for simple formulas encoding two contradictory parity constraints with different variable orders (Chew and Heule 2020). We provide an analytical explanation for their hardness by showing that they require exponential resolution refutations with high probability when the variable order is chosen at random. We obtain this result by proving that these formulas, which are known to be Tseitin formulas, have Tseitin graphs of linear treewidth with high probability. Since such Tseitin formulas require exponential resolution proofs, our result follows. We generalize this argument to a new class of formulas that capture a basic form of parity reasoning involving a sum of two random parity constraints with random orders. Even when the variable order for the sum is chosen favorably, these formulas remain hard for resolution. In contrast, we prove that they have short DRAT refutations. We show experimentally that the running time of CDCL SAT solvers on both classes of formulas grows exponentially with their treewidth.
In patent prosecution, timely and effective responses to Office Actions (OAs) are crucial for acquiring patents, yet past automation and AI research have scarcely addressed this aspect. To address this gap, our study introduces the Patent Office Action Response Intelligence System (PARIS) and its advanced version, the Large Language Model Enhanced PARIS (LE-PARIS). These systems are designed to expedite the efficiency of patent attorneys in collaboratively handling OA responses. The systems' key features include the construction of an OA Topics Database, development of Response Templates, and implementation of Recommender Systems and LLM-based Response Generation. Our validation involves a multi-paradigmatic analysis using the USPTO Office Action database and longitudinal data of attorney interactions with our systems over six years. Through five studies, we examine the constructiveness of OA topics (studies 1 and 2) using topic modeling and the proposed Delphi process, the efficacy of our proposed hybrid recommender system tailored for OA (both LLM-based and non-LLM-based) (study 3), the quality of response generation (study 4), and the practical value of the systems in real-world scenarios via user studies (study 5). Results demonstrate that both PARIS and LE-PARIS significantly meet key metrics and positively impact attorney performance.
Recent advancements have significantly augmented the reasoning capabilities of Large Language Models (LLMs) through various methodologies, especially chain-of-thought (CoT) reasoning. However, previous methods fail to address reasoning errors in intermediate steps, leading to accumulative errors.In this paper, we propose Deductive Beam Search (DBS), which seamlessly integrates CoT and deductive reasoning with step-wise beam search for LLMs. Our approach deploys a verifier, verifying the deducibility of a reasoning step and its premises, thus alleviating the error accumulation. Furthermore, we introduce a scalable and labor-free data construction method to amplify our model's verification capabilities. Extensive experiments demonstrate that our approach significantly enhances the base performance of LLMs of various scales (7B, 13B, 70B, and ChatGPT) across 8 reasoning datasets from 3 diverse reasoning genres, including arithmetic, commonsense, and symbolic. Moreover, our analysis proves DBS's capability of detecting diverse and subtle reasoning errors and robustness on different model scales.
Despite the Internet's continued growth, it increasingly depends on a small set of service providers to support Domain Name System (DNS) and web content hosting. This trend poses many potential threats including susceptibility to outages, failures, and potential censorship by providers. This paper aims to quantify consolidation in terms of popular domains' reliance on a small set of organizations for both DNS and web hosting. We highlight the extent to which a set of relatively few platforms host the authoritative name servers and web content for the top million websites. Our results show that both DNS and web hosting are concentrated, with Cloudflare and Amazon hosting over $30\%$ of the domains for both services. With the addition of Akamai, Fastly, and Google, these five organizations host $60\%$ of index pages in the Tranco top 10K, as well as the majority of external page resources. These trends are consistent across six different global vantage points, indicating that consolidation is happening globally and popular organizations can influence users' online experience across the world.
Explainable Artificial Intelligence (XAI) is transforming the field of Artificial Intelligence (AI) by enhancing the trust of end-users in machines. As the number of connected devices keeps on growing, the Internet of Things (IoT) market needs to be trustworthy for the end-users. However, existing literature still lacks a systematic and comprehensive survey work on the use of XAI for IoT. To bridge this lacking, in this paper, we address the XAI frameworks with a focus on their characteristics and support for IoT. We illustrate the widely-used XAI services for IoT applications, such as security enhancement, Internet of Medical Things (IoMT), Industrial IoT (IIoT), and Internet of City Things (IoCT). We also suggest the implementation choice of XAI models over IoT systems in these applications with appropriate examples and summarize the key inferences for future works. Moreover, we present the cutting-edge development in edge XAI structures and the support of sixth-generation (6G) communication services for IoT applications, along with key inferences. In a nutshell, this paper constitutes the first holistic compilation on the development of XAI-based frameworks tailored for the demands of future IoT use cases.
Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.
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