Wang, Zichong
ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation
Yue, Angxiao, Wang, Zichong, Xu, Hongteng
Protein backbone generation plays a central role in de novo protein design and is significant for many biological and medical applications. Although diffusion and flow-based generative models provide potential solutions to this challenging task, they often generate proteins with undesired designability and suffer computational inefficiency. In this study, we propose a novel rectified quaternion flow (ReQFlow) matching method for fast and high-quality protein backbone generation. In particular, our method generates a local translation and a 3D rotation from random noise for each residue in a protein chain, which represents each 3D rotation as a unit quaternion and constructs its flow by spherical linear interpolation (SLERP) in an exponential format. We train the model by quaternion flow (QFlow) matching with guaranteed numerical stability and rectify the QFlow model to accelerate its inference and improve the designability of generated protein backbones, leading to the proposed ReQFlow model. Experiments show that ReQFlow achieves state-of-the-art performance in protein backbone generation while requiring much fewer sampling steps and significantly less inference time (e.g., being 37x faster than RFDiffusion and 62x faster than Genie2 when generating a backbone of length 300), demonstrating its effectiveness and efficiency. The code is available at https://github.com/AngxiaoYue/ReQFlow.
Leveraging Prior Experience: An Expandable Auxiliary Knowledge Base for Text-to-SQL
Chu, Zhibo, Wang, Zichong, Qin, Qitao
Large Language Models (LLMs) exhibit impressive problem-solving skills across many tasks, but they still underperform compared to humans in various downstream applications, such as text-to-SQL. On the BIRD benchmark leaderboard, human performance achieves an accuracy of 92.96\%, whereas the top-performing method reaches only 72.39\%. Notably, these state-of-the-art (SoTA) methods predominantly rely on in-context learning to simulate human-like reasoning. However, they overlook a critical human skill: continual learning. Inspired by the educational practice of maintaining mistake notebooks during our formative years, we propose LPE-SQL (Leveraging Prior Experience: An Expandable Auxiliary Knowledge Base for Text-to-SQL), a novel framework designed to augment LLMs by enabling continual learning without requiring parameter fine-tuning. LPE-SQL consists of four modules that \textbf{i)} retrieve relevant entries, \textbf{ii)} efficient sql generation, \textbf{iii)} generate the final result through a cross-consistency mechanism and \textbf{iv)} log successful and failed tasks along with their reasoning processes or reflection-generated tips. Importantly, the core module of LPE-SQL is the fourth one, while the other modules employ foundational methods, allowing LPE-SQL to be easily integrated with SoTA technologies to further enhance performance. Our experimental results demonstrate that this continual learning approach yields substantial performance gains, with the smaller Llama-3.1-70B model with surpassing the performance of the larger Llama-3.1-405B model using SoTA methods.
Fairness in Large Language Models: A Taxonomic Survey
Chu, Zhibo, Wang, Zichong, Zhang, Wenbin
Large Language Models (LLMs) have demonstrated remarkable success across various domains. However, despite their promising performance in numerous real-world applications, most of these algorithms lack fairness considerations. Consequently, they may lead to discriminatory outcomes against certain communities, particularly marginalized populations, prompting extensive study in fair LLMs. On the other hand, fairness in LLMs, in contrast to fairness in traditional machine learning, entails exclusive backgrounds, taxonomies, and fulfillment techniques. To this end, this survey presents a comprehensive overview of recent advances in the existing literature concerning fair LLMs. Specifically, a brief introduction to LLMs is provided, followed by an analysis of factors contributing to bias in LLMs. Additionally, the concept of fairness in LLMs is discussed categorically, summarizing metrics for evaluating bias in LLMs and existing algorithms for promoting fairness. Furthermore, resources for evaluating bias in LLMs, including toolkits and datasets, are summarized. Finally, existing research challenges and open questions are discussed.
Uncertain Boundaries: Multidisciplinary Approaches to Copyright Issues in Generative AI
Dzuong, Jocelyn, Wang, Zichong, Zhang, Wenbin
In the rapidly evolving landscape of generative artificial intelligence (AI), the increasingly pertinent issue of copyright infringement arises as AI advances to generate content from scraped copyrighted data, prompting questions about ownership and protection that impact professionals across various careers. With this in mind, this survey provides an extensive examination of copyright infringement as it pertains to generative AI, aiming to stay abreast of the latest developments and open problems. Specifically, it will first outline methods of detecting copyright infringement in mediums such as text, image, and video. Next, it will delve an exploration of existing techniques aimed at safeguarding copyrighted works from generative models. Furthermore, this survey will discuss resources and tools for users to evaluate copyright violations. Finally, insights into ongoing regulations and proposals for AI will be explored and compared. Through combining these disciplines, the implications of AI-driven content and copyright are thoroughly illustrated and brought into question.
History, Development, and Principles of Large Language Models-An Introductory Survey
Chu, Zhibo, Ni, Shiwen, Wang, Zichong, Feng, Xi, Li, Chengming, Hu, Xiping, Xu, Ruifeng, Yang, Min, Zhang, Wenbin
Language models serve as a cornerstone in natural language processing (NLP), utilizing mathematical methods to generalize language laws and knowledge for prediction and generation. Over extensive research spanning decades, language modeling has progressed from initial statistical language models (SLMs) to the contemporary landscape of large language models (LLMs). Notably, the swift evolution of LLMs has reached the ability to process, understand, and generate human-level text. Nevertheless, despite the significant advantages that LLMs offer in improving both work and personal lives, the limited understanding among general practitioners about the background and principles of these models hampers their full potential. Notably, most LLMs reviews focus on specific aspects and utilize specialized language, posing a challenge for practitioners lacking relevant background knowledge. In light of this, this survey aims to present a comprehensible overview of LLMs to assist a broader audience. It strives to facilitate a comprehensive understanding by exploring the historical background of language models and tracing their evolution over time. The survey further investigates the factors influencing the development of LLMs, emphasizing key contributions. Additionally, it concentrates on elucidating the underlying principles of LLMs, equipping audiences with essential theoretical knowledge. The survey also highlights the limitations of existing work and points out promising future directions.
Individual Fairness under Uncertainty
Zhang, Wenbin, Wang, Zichong, Kim, Juyong, Cheng, Cheng, Oommen, Thomas, Ravikumar, Pradeep, Weiss, Jeremy
Algorithmic fairness, the research field of making machine learning (ML) algorithms fair, is an established area in ML. As ML technologies expand their application domains, including ones with high societal impact, it becomes essential to take fairness into consideration during the building of ML systems. Yet, despite its wide range of socially sensitive applications, most work treats the issue of algorithmic bias as an intrinsic property of supervised learning, i.e., the class label is given as a precondition. Unlike prior studies in fairness, we propose an individual fairness measure and a corresponding algorithm that deal with the challenges of uncertainty arising from censorship in class labels, while enforcing similar individuals to be treated similarly from a ranking perspective, free of the Lipschitz condition in the conventional individual fairness definition. We argue that this perspective represents a more realistic model of fairness research for real-world application deployment and show how learning with such a relaxed precondition draws new insights that better explains algorithmic fairness. We conducted experiments on four real-world datasets to evaluate our proposed method compared to other fairness models, demonstrating its superiority in minimizing discrimination while maintaining predictive performance with uncertainty present.
Towards Fair Machine Learning Software: Understanding and Addressing Model Bias Through Counterfactual Thinking
Wang, Zichong, Zhou, Yang, Qiu, Meikang, Haque, Israat, Brown, Laura, He, Yi, Wang, Jianwu, Lo, David, Zhang, Wenbin
The increasing use of Machine Learning (ML) software can lead to unfair and unethical decisions, thus fairness bugs in software are becoming a growing concern. Addressing these fairness bugs often involves sacrificing ML performance, such as accuracy. To address this issue, we present a novel counterfactual approach that uses counterfactual thinking to tackle the root causes of bias in ML software. In addition, our approach combines models optimized for both performance and fairness, resulting in an optimal solution in both aspects. We conducted a thorough evaluation of our approach on 10 benchmark tasks using a combination of 5 performance metrics, 3 fairness metrics, and 15 measurement scenarios, all applied to 8 real-world datasets. The conducted extensive evaluations show that the proposed method significantly improves the fairness of ML software while maintaining competitive performance, outperforming state-of-the-art solutions in 84.6% of overall cases based on a recent benchmarking tool.
Preventing Discriminatory Decision-making in Evolving Data Streams
Wang, Zichong, Saxena, Nripsuta, Yu, Tongjia, Karki, Sneha, Zetty, Tyler, Haque, Israat, Zhou, Shan, Kc, Dukka, Stockwell, Ian, Bifet, Albert, Zhang, Wenbin
Bias in machine learning has rightly received significant attention over the last decade. However, most fair machine learning (fair-ML) work to address bias in decision-making systems has focused solely on the offline setting. Despite the wide prevalence of online systems in the real world, work on identifying and correcting bias in the online setting is severely lacking. The unique challenges of the online environment make addressing bias more difficult than in the offline setting. First, Streaming Machine Learning (SML) algorithms must deal with the constantly evolving real-time data stream. Second, they need to adapt to changing data distributions (concept drift) to make accurate predictions on new incoming data. Adding fairness constraints to this already complicated task is not straightforward. In this work, we focus on the challenges of achieving fairness in biased data streams while accounting for the presence of concept drift, accessing one sample at a time. We present Fair Sampling over Stream ($FS^2$), a novel fair rebalancing approach capable of being integrated with SML classification algorithms. Furthermore, we devise the first unified performance-fairness metric, Fairness Bonded Utility (FBU), to evaluate and compare the trade-off between performance and fairness of different bias mitigation methods efficiently. FBU simplifies the comparison of fairness-performance trade-offs of multiple techniques through one unified and intuitive evaluation, allowing model designers to easily choose a technique. Overall, extensive evaluations show our measures surpass those of other fair online techniques previously reported in the literature.