This study introduces a systematic framework to compare the efficacy of Large Language Models (LLMs) for fine-tuning across various cheminformatics tasks. Employing a uniform training methodology, we assessed three well-known models-RoBERTa, BART, and LLaMA-on their ability to predict molecular properties using the Simplified Molecular Input Line Entry System (SMILES) as a universal molecular representation format. Our comparative analysis involved pre-training 18 configurations of these models, with varying parameter sizes and dataset scales, followed by fine-tuning them on six benchmarking tasks from DeepChem. We maintained consistent training environments across models to ensure reliable comparisons. This approach allowed us to assess the influence of model type, size, and training dataset size on model performance. Specifically, we found that LLaMA-based models generally offered the lowest validation loss, suggesting their superior adaptability across tasks and scales. However, we observed that absolute validation loss is not a definitive indicator of model performance - contradicts previous research - at least for fine-tuning tasks: instead, model size plays a crucial role. Through rigorous replication and validation, involving multiple training and fine-tuning cycles, our study not only delineates the strengths and limitations of each model type but also provides a robust methodology for selecting the most suitable LLM for specific cheminformatics applications. This research underscores the importance of considering model architecture and dataset characteristics in deploying AI for molecular property prediction, paving the way for more informed and effective utilization of AI in drug discovery and related fields.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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語言模型化
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MoDELS
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Performer
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The rapidly evolving multimodal Large Language Models (LLMs) urgently require new benchmarks to uniformly evaluate their performance on understanding and textually describing music. However, due to semantic gaps between Music Information Retrieval (MIR) algorithms and human understanding, discrepancies between professionals and the public, and low precision of annotations, existing music description datasets cannot serve as benchmarks. To this end, we present MuChin, the first open-source music description benchmark in Chinese colloquial language, designed to evaluate the performance of multimodal LLMs in understanding and describing music. We established the Caichong Music Annotation Platform (CaiMAP) that employs an innovative multi-person, multi-stage assurance method, and recruited both amateurs and professionals to ensure the precision of annotations and alignment with popular semantics. Utilizing this method, we built a dataset with multi-dimensional, high-precision music annotations, the Caichong Music Dataset (CaiMD), and carefully selected 1,000 high-quality entries to serve as the test set for MuChin. Based on MuChin, we analyzed the discrepancies between professionals and amateurs in terms of music description, and empirically demonstrated the effectiveness of annotated data for fine-tuning LLMs. Ultimately, we employed MuChin to evaluate existing music understanding models on their ability to provide colloquial descriptions of music. All data related to the benchmark, along with the scoring code and detailed appendices, have been open-sourced (//github.com/CarlWangChina/MuChin/).
Conversational AI (CAI) systems which encompass voice- and text-based assistants are on the rise and have been largely integrated into people's everyday lives. Despite their widespread adoption, users voice concerns regarding privacy, security and trust in these systems. However, the composition of these perceptions, their impact on technology adoption and usage and the relationship between privacy, security and trust perceptions in the CAI context remain open research challenges. This study contributes to the field by conducting a Systematic Literature Review and offers insights into the current state of research on privacy, security and trust perceptions in the context of CAI systems. The review covers application fields and user groups and sheds light on empirical methods and tools used for assessment. Moreover, it provides insights into the reliability and validity of privacy, security and trust scales, as well as extensively investigating the subconstructs of each item as well as additional concepts which are concurrently collected. We point out that the perceptions of trust, privacy and security overlap based on the subconstructs we identified. While the majority of studies investigate one of these concepts, only a few studies were found exploring privacy, security and trust perceptions jointly. Our research aims to inform on directions to develop and use reliable scales for users' privacy, security and trust perceptions and contribute to the development of trustworthy CAI systems.
Large Language Models (LLMs) are rapidly becoming ubiquitous both as stand-alone tools and as components of current and future software systems. To enable usage of LLMs in the high-stake or safety-critical systems of 2030, they need to undergo rigorous testing. Software Engineering (SE) research on testing Machine Learning (ML) components and ML-based systems has systematically explored many topics such as test input generation and robustness. We believe knowledge about tools, benchmarks, research and practitioner views related to LLM testing needs to be similarly organized. To this end, we present a taxonomy of LLM testing topics and conduct preliminary studies of state of the art and practice approaches to research, open-source tools and benchmarks for LLM testing, mapping results onto this taxonomy. Our goal is to identify gaps requiring more research and engineering effort and inspire a clearer communication between LLM practitioners and the SE research community.
This study investigates the capabilities of Large Language Models (LLMs), specifically GPT-4, in the context of Binary Reverse Engineering (RE). Employing a structured experimental approach, we analyzed the LLM's performance in interpreting and explaining human-written and decompiled codes. The research encompassed two phases: the first on basic code interpretation and the second on more complex malware analysis. Key findings indicate LLMs' proficiency in general code understanding, with varying effectiveness in detailed technical and security analyses. The study underscores the potential and current limitations of LLMs in reverse engineering, revealing crucial insights for future applications and improvements. Also, we examined our experimental methodologies, such as methods of evaluation and data constraints, which provided us with a technical vision for any future research activity in this field.
This paper summarizes an autonomous driving project by musculoskeletal humanoids. The musculoskeletal humanoid, which mimics the human body in detail, has redundant sensors and a flexible body structure. These characteristics are suitable for motions with complex environmental contact, and the robot is expected to sit down on the car seat, step on the acceleration and brake pedals, and operate the steering wheel by both arms. We reconsider the developed hardware and software of the musculoskeletal humanoid Musashi in the context of autonomous driving. The respective components of autonomous driving are conducted using the benefits of the hardware and software. Finally, Musashi succeeded in the pedal and steering wheel operations with recognition.
Large Language Models (LLMs) have recently shown a promise and emergence of Theory of Mind (ToM) ability and even outperform humans in certain ToM tasks. To evaluate and extend the boundaries of the ToM reasoning ability of LLMs, we propose a novel concept, taxonomy, and framework, the ToM reasoning with Zero, Finite, and Infinite Belief History and develop a multi-round text-based game, called $\textit{Pick the Right Stuff}$, as a benchmark. We have evaluated six LLMs with this game and found their performance on Zero Belief History is consistently better than on Finite Belief History. In addition, we have found two of the models with small parameter sizes outperform all the evaluated models with large parameter sizes. We expect this work to pave the way for future ToM benchmark development and also for the promotion and development of more complex AI agents or systems which are required to be equipped with more complex ToM reasoning ability.
We introduce XFT, a simple yet powerful training scheme, by simply merging upcycled Mixture-of-Experts (MoE) to unleash the performance limit of instruction-tuned code Large Language Models (LLMs). While vanilla sparse upcycling fails to improve instruction tuning, XFT introduces a shared expert mechanism with a novel routing weight normalization strategy into sparse upcycling, which significantly boosts instruction tuning. After fine-tuning the upcycled MoE model, XFT introduces a learnable model merging mechanism to compile the upcycled MoE model back to a dense model, achieving upcycled MoE-level performance with only dense-model compute. By applying XFT to a 1.3B model, we create a new state-of-the-art tiny code LLM (<3B) with 67.1 and 64.6 pass@1 on HumanEval and HumanEval+ respectively. With the same data and model architecture, XFT improves supervised fine-tuning (SFT) by 13% on HumanEval+, along with consistent improvements from 2% to 13% on MBPP+, MultiPL-E, and DS-1000, demonstrating its generalizability. XFT is fully orthogonal to existing techniques such as Evol-Instruct and OSS-Instruct, opening a new dimension for improving code instruction tuning. Codes are available at //github.com/ise-uiuc/xft.
The rapid advances in the Internet of Things (IoT) have promoted a revolution in communication technology and offered various customer services. Artificial intelligence (AI) techniques have been exploited to facilitate IoT operations and maximize their potential in modern application scenarios. In particular, the convergence of IoT and AI has led to a new networking paradigm called Intelligent IoT (IIoT), which has the potential to significantly transform businesses and industrial domains. This paper presents a comprehensive survey of IIoT by investigating its significant applications in mobile networks, as well as its associated security and privacy issues. Specifically, we explore and discuss the roles of IIoT in a wide range of key application domains, from smart healthcare and smart cities to smart transportation and smart industries. Through such extensive discussions, we investigate important security issues in IIoT networks, where network attacks, confidentiality, integrity, and intrusion are analyzed, along with a discussion of potential countermeasures. Privacy issues in IIoT networks were also surveyed and discussed, including data, location, and model privacy leakage. Finally, we outline several key challenges and highlight potential research directions in this important area.
Graph Neural Networks (GNNs) have gained significant attention owing to their ability to handle graph-structured data and the improvement in practical applications. However, many of these models prioritize high utility performance, such as accuracy, with a lack of privacy consideration, which is a major concern in modern society where privacy attacks are rampant. To address this issue, researchers have started to develop privacy-preserving GNNs. Despite this progress, there is a lack of a comprehensive overview of the attacks and the techniques for preserving privacy in the graph domain. In this survey, we aim to address this gap by summarizing the attacks on graph data according to the targeted information, categorizing the privacy preservation techniques in GNNs, and reviewing the datasets and applications that could be used for analyzing/solving privacy issues in GNNs. We also outline potential directions for future research in order to build better privacy-preserving GNNs.
Graph Neural Networks (GNNs) have gained momentum in graph representation learning and boosted the state of the art in a variety of areas, such as data mining (\emph{e.g.,} social network analysis and recommender systems), computer vision (\emph{e.g.,} object detection and point cloud learning), and natural language processing (\emph{e.g.,} relation extraction and sequence learning), to name a few. With the emergence of Transformers in natural language processing and computer vision, graph Transformers embed a graph structure into the Transformer architecture to overcome the limitations of local neighborhood aggregation while avoiding strict structural inductive biases. In this paper, we present a comprehensive review of GNNs and graph Transformers in computer vision from a task-oriented perspective. Specifically, we divide their applications in computer vision into five categories according to the modality of input data, \emph{i.e.,} 2D natural images, videos, 3D data, vision + language, and medical images. In each category, we further divide the applications according to a set of vision tasks. Such a task-oriented taxonomy allows us to examine how each task is tackled by different GNN-based approaches and how well these approaches perform. Based on the necessary preliminaries, we provide the definitions and challenges of the tasks, in-depth coverage of the representative approaches, as well as discussions regarding insights, limitations, and future directions.
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