Graphical models or networks describe the statistical dependence among multiple variables and are widely used in biology (e.g., gene regulatory networks). Under appropriate assumptions, directed edges may represent causal relationships. A key feature of a biological network is sparsity, defined by how likely an edge is present, of which we often have some knowledge. However, most existing Bayesian methods use priors for the entire graph, making it difficult to specify the level of sparsity. The few methods that use priors on edges estimate the two directions independently; the sum of the two probabilities can exceed 1. Here, we present baycn (BAYesian Causal Network), a novel approximate Bayesian method that represents a graph in terms of three states of edges: the two directions and edge absence, and specifies priors on these edge states. We design a pseudo Bayesian sampling algorithm for efficient inference. We apply baycn to two genomic problems: i) distinguishing direct and indirect target genes of genetic variants, using these variants as instrumental variables, and ii) inferring combinatorial binding of highly-correlated transcription factors in Drosophila. In both cases and in extensive simulations, our method demonstrates much improved accuracy over existing methods for the whole graph and for individual edges.


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Replaying data is a principal mechanism underlying the stability and data efficiency of off-policy reinforcement learning (RL). We present an effective yet simple framework to extend the use of replays across multiple experiments, minimally adapting the RL workflow for sizeable improvements in controller performance and research iteration times. At its core, Replay Across Experiments (RaE) involves reusing experience from previous experiments to improve exploration and bootstrap learning while reducing required changes to a minimum in comparison to prior work. We empirically show benefits across a number of RL algorithms and challenging control domains spanning both locomotion and manipulation, including hard exploration tasks from egocentric vision. Through comprehensive ablations, we demonstrate robustness to the quality and amount of data available and various hyperparameter choices. Finally, we discuss how our approach can be applied more broadly across research life cycles and can increase resilience by reloading data across random seeds or hyperparameter variations.


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Large language models (LLMs) have been widely recognised as transformative artificial generative intelligence (AGI) technologies due to their capabilities to understand and generate content, including plans with reasoning capabilities. Foundation model based agents derive their autonomy from the capabilities of foundation models, which enable them to autonomously break down a given goal into a set of manageable tasks and orchestrate task execution to meet the goal. Despite the huge efforts put into building foundation model based autonomous agents, the architecture design of the agents has not yet been systematically explored. Also, while there are significant benefits of using autonomous agents for planning and execution, there are serious considerations regarding responsible AI related software quality attributes, such as security and accountability. Therefore, this paper presents a pattern-oriented reference architecture that serves as architecture design guidance and enables responsible-AI-by-design when designing foundation model based autonomous agents. We evaluate the completeness and utility of the proposed reference architecture by mapping it to the architecture of two real-world agents.


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In the classical lossy source coding problem, one encodes long blocks of source symbols that enables the distortion to approach the ultimate Shannon limit. Such a block-coding approach introduces large delays, which is undesirable in many delay-sensitive applications. We consider the zero-delay case, where the goal is to encode and decode a finite-alphabet Markov source without any delay. It has been shown that this problem lends itself to stochastic control techniques, which lead to existence, structural, and general structural approximation results. However, these techniques so far have resulted only in computationally prohibitive algorithmic implementations for code design. To address this problem, we present a reinforcement learning design algorithm and rigorously prove its asymptotic optimality. In particular, we show that a quantized Q-learning algorithm can be used to obtain a near-optimal coding policy for this problem. The proof builds on recent results on quantized Q-learning for weakly Feller controlled Markov chains whose application necessitates the development of supporting technical results on regularity and stability properties, and relating the optimal solutions for discounted and average cost infinite horizon criteria problems. These theoretical results are supported by simulations.


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We characterize the structure and origins of missingness for 159 cross-sectional return predictors and study missing value handling for portfolios constructed using machine learning. Simply imputing with cross-sectional means performs well compared to rigorous expectation-maximization methods. This stems from three facts about predictor data: (1) missingness occurs in large blocks organized by time, (2) cross-sectional correlations are small, and (3) missingness tends to occur in blocks organized by the underlying data source. As a result, observed data provide little information about missing data. Sophisticated imputations introduce estimation noise that can lead to underperformance if machine learning is not carefully applied.


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Our study presents an intermediate-level modeling approach that bridges the gap between complex Agent-Based Models (ABMs) and traditional compartmental models for infectious diseases. We introduce "super-agents" to simulate infection spread in cities, reducing computational complexity while retaining individual-level interactions. This approach leverages real-world mobility data and strategic geospatial tessellations for efficiency. Voronoi Diagram tessellations, based on specific street network locations, outperform standard Census Block Group tessellations, and a hybrid approach balances accuracy and efficiency. Benchmarking against existing ABMs highlights key optimizations. This research improves disease modeling in urban areas, aiding public health strategies in scenarios requiring geographic specificity and high computational efficiency.


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Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function $f(x)$ while enforcing a bound constraint $\|x\|_\infty \leq 1/\lambda$. Lion achieves this through the incorporation of decoupled weight decay, where $\lambda$ represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-$\kappa$ algorithms, where the $\text{sign}(\cdot)$ operator in Lion is replaced by the subgradient of a convex function $\kappa$, leading to the solution of a general composite optimization problem of $\min_x f(x) + \kappa^*(x)$. Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.


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Advancements in artificial intelligence (AI) over the last decade demonstrate that machines can exhibit communicative behavior and influence how humans think, feel, and behave. In fact, the recent development of ChatGPT has shown that large language models (LLMs) can be leveraged to generate high-quality communication content at scale and across domains, suggesting that they will be increasingly used in practice. However, many questions remain about how knowing the source of the messages influences recipients' evaluation of and preference for AI-generated messages compared to human-generated messages. This paper investigated this topic in the context of vaping prevention messaging. In Study 1, which was pre-registered, we examined the influence of source disclosure on people's evaluation of AI-generated health prevention messages compared to human-generated messages. We found that source disclosure (i.e., labeling the source of a message as AI vs. human) significantly impacted the evaluation of the messages but did not significantly alter message rankings. In a follow-up study (Study 2), we examined how the influence of source disclosure may vary by the participants' negative attitudes towards AI. We found a significant moderating effect of negative attitudes towards AI on message evaluation, but not for message selection. However, for those with moderate levels of negative attitudes towards AI, source disclosure decreased the preference for AI-generated messages. Overall, the results of this series of studies showed a slight bias against AI-generated messages once the source was disclosed, adding to the emerging area of study that lies at the intersection of AI and communication.


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Artificial intelligence (AI) for reaction condition optimization has become an important topic in the pharmaceutical industry, given that a data-driven AI model can assist drug discovery and accelerate reaction design. However, existing AI models lack the chemical insights and real-time knowledge acquisition abilities of experienced human chemists. This paper proposes a Large Language Model (LLM) empowered AI agent to bridge this gap. We put forth a novel three-phase paradigm and applied advanced intelligence-enhancement methods like in-context learning and multi-LLM debate so that the AI agent can borrow human insight and update its knowledge by searching the latest chemical literature. Additionally, we introduce a novel Coarse-label Contrastive Learning (CCL) based chemical fingerprint that greatly enhances the agent's performance in optimizing the reaction condition. With the above efforts, the proposed AI agent can autonomously generate the optimal reaction condition recommendation without any human interaction. Further, the agent is highly professional in terms of chemical reactions. It demonstrates close-to-human performance and strong generalization capability in both dry-lab and wet-lab experiments. As the first attempt in the chemical AI agent, this work goes a step further in the field of "AI for chemistry" and opens up new possibilities for computer-aided synthesis planning.


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Counterfactual reasoning, a fundamental aspect of human cognition, involves contemplating alternatives to established facts or past events, significantly enhancing our abilities in planning and decision-making. In light of the advancements in current multi-modal large language models, we explore their effectiveness in counterfactual reasoning. To facilitate this investigation, we introduce a novel dataset, C-VQA, specifically designed to test the counterfactual reasoning capabilities of modern multi-modal large language models. This dataset is constructed by infusing original questions with counterfactual presuppositions, spanning various types such as numerical and boolean queries. It encompasses a mix of real and synthetic data, representing a wide range of difficulty levels. Our thorough evaluations of contemporary vision-language models using this dataset have revealed substantial performance drops, with some models showing up to a 40% decrease, highlighting a significant gap between current models and human-like vision reasoning capabilities. We hope our dataset will serve as a vital benchmark for evaluating the counterfactual reasoning capabilities of models. Code and dataset are publicly available at https://bzhao.me/C-VQA/.


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本周荟萃主题
区块链
区块链(Blockchain)是由节点参与的分布式数据库系统,它的特点是不可更改,不可伪造,也可以将其理解为账簿系统(ledger)。它是比特币的一个重要概念,完整比特币区块链的副本,记录了其代币(token)的每一笔交易。通过这些信息,我们可以找到每一个地址,在历史上任何一点所拥有的价值。
深度学习
机器学习的一个分支,它基于试图使用包含复杂结构或由多重非线性变换构成的多个处理层对数据进行高层抽象的一系列算法。
机器学习
“机器学习是近20多年兴起的一门多领域交叉学科,涉及概率论、统计学、逼近论、凸分析、算法复杂度理论等多门学科。机器学习理论主要是设计和分析一些让 可以自动“ 学习”的算法。机器学习算法是一类从数据中自动分析获得规律,并利用规律对未知数据进行预测的算法。因为学习算法中涉及了大量的统计学理论,机器学习与统计推断学联系尤为密切,也被称为统计学习理论。算法设计方面,机器学习理论关注可以实现的,行之有效的学习算法。很多 推论问题属于 无程序可循难度,所以部分的机器学习研究是开发容易处理的近似算法。”

——中文维基百科
强化学习
强化学习(RL)是机器学习的一个领域,与软件代理应如何在环境中采取行动以最大化累积奖励的概念有关。除了监督学习和非监督学习外,强化学习是三种基本的机器学习范式之一。 强化学习与监督学习的不同之处在于,不需要呈现带标签的输入/输出对,也不需要显式纠正次优动作。相反,重点是在探索(未知领域)和利用(当前知识)之间找到平衡。 该环境通常以马尔可夫决策过程(MDP)的形式陈述,因为针对这种情况的许多强化学习算法都使用动态编程技术。经典动态规划方法和强化学习算法之间的主要区别在于,后者不假设MDP的确切数学模型,并且针对无法采用精确方法的大型MDP。
推荐系统
推荐系统,是指根据用户的习惯、偏好或兴趣,从不断到来的大规模信息中识别满足用户兴趣的信息的过程。推荐推荐任务中的信息往往称为物品(Item)。根据具体应用背景的不同,这些物品可以是新闻、电影、音乐、广告、商品等各种对象。推荐系统利用电子商务网站向客户提供商品信息和建议,帮助用户决定应该购买什么产品,模拟销售人员帮助客户完成购买过程。个性化推荐是根据用户的兴趣特点和购买行为,向用户推荐用户感兴趣的信息和商品。随着电子商务规模的不断扩大,商品个数和种类快速增长,顾客需要花费大量的时间才能找到自己想买的商品。这种浏览大量无关的信息和产品过程无疑会使淹没在信息过载问题中的消费者不断流失。为了解决这些问题,个性化推荐系统应运而生。个性化推荐系统是建立在海量数据挖掘基础上的一种高级商务智能平台,以帮助电子商务网站为其顾客购物提供完全个性化的决策支持和信息服务。
卷积神经网络
在深度学习中,卷积神经网络(CNN或ConvNet)是一类深度神经网络,最常用于分析视觉图像。基于它们的共享权重架构和平移不变性特征,它们也被称为位移不变或空间不变的人工神经网络(SIANN)。它们在图像和视频识别,推荐系统,图像分类,医学图像分析,自然语言处理,和财务时间序列中都有应用。
计算机网络
计算机网络( Computer Networks )指将地理位置不同的多台计算机及其外部设备,通过通信线路连接起来,在网络操作系统及网络通信协议的管理和协调下,实现资源共享和信息传递的计算机系统。
命名实体识别
命名实体识别(NER)(也称为实体标识,实体组块和实体提取)是信息抽取的子任务,旨在将非结构化文本中提到的命名实体定位和分类为预定义类别,例如人员姓名、地名、机构名、专有名词等。
机器翻译
机器翻译,又称为自动翻译,是利用计算机将一种自然语言(源语言)转换为另一种自然语言(目标语言)的过程。它是计算语言学的一个分支,是人工智能的终极目标之一,具有重要的科学研究价值。
计算机视觉
计算机视觉是一门研究如何使机器“看”的科学,更进一步的说,就是是指用摄影机和电脑代替人眼对目标进行识别、跟踪和测量等机器视觉,并进一步做图形处理,使电脑处理成为更适合人眼观察或传送给仪器检测的图像。作为一个科学学科,计算机视觉研究相关的理论和技术,试图建立能够从图像或者多维数据中获取‘信息’的人工智能系统。
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