Overview
Topological Schr\"odinger Bridge Matching
Given two boundary distributions, the Schr\"odinger Bridge (SB) problem seeks the ``most likely`` random evolution between them with respect to a reference process. It has revealed rich connections to recent machine learning methods for generative modeling and distribution matching. While these methods perform well in Euclidean domains, they are not directly applicable to topological domains such as graphs and simplicial complexes, which are crucial for data defined over network entities, such as node signals and edge flows. In this work, we propose the Topological Schr\"odinger Bridge problem (TSBP) for matching signal distributions on a topological domain. We set the reference process to follow some linear tractable topology-aware stochastic dynamics such as topological heat diffusion. For the case of Gaussian boundary distributions, we derive a closed-form topological SB (TSB) in terms of its time-marginal and stochastic differential. In the general case, leveraging the well-known result, we show that the optimal process follows the forward-backward topological dynamics governed by some unknowns. Building on these results, we develop TSB-based models for matching topological signals by parameterizing the unknowns in the optimal process as (topological) neural networks and learning them through likelihood training. We validate the theoretical results and demonstrate the practical applications of TSB-based models on both synthetic and real-world networks, emphasizing the role of topology. Additionally, we discuss the connections of TSB-based models to other emerging models, and outline future directions for topological signal matching.
Model Context Protocol (MCP): Landscape, Security Threats, and Future Research Directions
Hou, Xinyi, Zhao, Yanjie, Wang, Shenao, Wang, Haoyu
The Model Context Protocol (MCP) is a standardized interface designed to enable seamless interaction between AI models and external tools and resources, breaking down data silos and facilitating interoperability across diverse systems. This paper provides a comprehensive overview of MCP, focusing on its core components, workflow, and the lifecycle of MCP servers, which consists of three key phases: creation, operation, and update. We analyze the security and privacy risks associated with each phase and propose strategies to mitigate potential threats. The paper also examines the current MCP landscape, including its adoption by industry leaders and various use cases, as well as the tools and platforms supporting its integration. We explore future directions for MCP, highlighting the challenges and opportunities that will influence its adoption and evolution within the broader AI ecosystem. Finally, we offer recommendations for MCP stakeholders to ensure its secure and sustainable development as the AI landscape continues to evolve.
Opening the Black-Box: Symbolic Regression with Kolmogorov-Arnold Networks for Energy Applications
Panczyk, Nataly R., Erdem, Omer F., Radaideh, Majdi I.
While most modern machine learning methods offer speed and accuracy, few promise interpretability or explainability -- two key features necessary for highly sensitive industries, like medicine, finance, and engineering. Using eight datasets representative of one especially sensitive industry, nuclear power, this work compares a traditional feedforward neural network (FNN) to a Kolmogorov-Arnold Network (KAN). We consider not only model performance and accuracy, but also interpretability through model architecture and explainability through a post-hoc SHAP analysis. In terms of accuracy, we find KANs and FNNs comparable across all datasets, when output dimensionality is limited. KANs, which transform into symbolic equations after training, yield perfectly interpretable models while FNNs remain black-boxes. Finally, using the post-hoc explainability results from Kernel SHAP, we find that KANs learn real, physical relations from experimental data, while FNNs simply produce statistically accurate results. Overall, this analysis finds KANs a promising alternative to traditional machine learning methods, particularly in applications requiring both accuracy and comprehensibility.
Operator Learning: A Statistical Perspective
Operator learning has emerged as a powerful tool in scientific computing for approximating mappings between infinite-dimensional function spaces. A primary application of operator learning is the development of surrogate models for the solution operators of partial differential equations (PDEs). These methods can also be used to develop black-box simulators to model system behavior from experimental data, even without a known mathematical model. In this article, we begin by formalizing operator learning as a function-to-function regression problem and review some recent developments in the field. We also discuss PDE-specific operator learning, outlining strategies for incorporating physical and mathematical constraints into architecture design and training processes. Finally, we end by highlighting key future directions such as active data collection and the development of rigorous uncertainty quantification frameworks.
Random Normed k-Means: A Paradigm-Shift in Clustering within Probabilistic Metric Spaces
Hemdanou, Abderrafik Laakel, Achtoun, Youssef, Sefian, Mohammed Lamarti, Tahiri, Ismail, Afia, Abdellatif El
Existing approaches remain largely constrained by traditional distance metrics, limiting their effectiveness in handling random data. In this work, we introduce the first k-means variant in the literature that operates within a probabilistic metric space, replacing conventional distance measures with a well-defined distance distribution function. This pioneering approach enables more flexible and robust clustering in both deterministic and random datasets, establishing a new foundation for clustering in stochastic environments. By adopting a probabilistic perspective, our method not only introduces a fresh paradigm but also establishes a rigorous theoretical framework that is expected to serve as a key reference for future clustering research involving random data. Extensive experiments on diverse real and synthetic datasets assess our model's effectiveness using widely recognized evaluation metrics, including Silhouette, Davies-Bouldin, Calinski Harabasz, the adjusted Rand index, and distortion. Comparative analyses against established methods such as k-means++, fuzzy c-means, and kernel probabilistic k-means demonstrate the superior performance of our proposed random normed k-means (RNKM) algorithm. Notably, RNKM exhibits a remarkable ability to identify nonlinearly separable structures, making it highly effective in complex clustering scenarios. These findings position RNKM as a groundbreaking advancement in clustering research, offering a powerful alternative to traditional techniques while addressing a long-standing gap in the literature. By bridging probabilistic metrics with clustering, this study provides a foundational reference for future developments and opens new avenues for advanced data analysis in dynamic, data-driven applications.
Scaling Laws in Scientific Discovery with AI and Robot Scientists
Zhang, Pengsong, Zhang, Heng, Xu, Huazhe, Xu, Renjun, Wang, Zhenting, Wang, Cong, Garg, Animesh, Li, Zhibin, Ajoudani, Arash, Liu, Xinyu
Scientific discovery is poised for rapid advancement through advanced robotics and artificial intelligence. Current scientific practices face substantial limitations as manual experimentation remains time-consuming and resource-intensive, while multidisciplinary research demands knowledge integration beyond individual researchers' expertise boundaries. Here, we envision an autonomous generalist scientist (AGS) concept combines agentic AI and embodied robotics to automate the entire research lifecycle. This system could dynamically interact with both physical and virtual environments while facilitating the integration of knowledge across diverse scientific disciplines. By deploying these technologies throughout every research stage -- spanning literature review, hypothesis generation, experimentation, and manuscript writing -- and incorporating internal reflection alongside external feedback, this system aims to significantly reduce the time and resources needed for scientific discovery. Building on the evolution from virtual AI scientists to versatile generalist AI-based robot scientists, AGS promises groundbreaking potential. As these autonomous systems become increasingly integrated into the research process, we hypothesize that scientific discovery might adhere to new scaling laws, potentially shaped by the number and capabilities of these autonomous systems, offering novel perspectives on how knowledge is generated and evolves. The adaptability of embodied robots to extreme environments, paired with the flywheel effect of accumulating scientific knowledge, holds the promise of continually pushing beyond both physical and intellectual frontiers.
Agentic Large Language Models, a survey
Plaat, Aske, van Duijn, Max, van Stein, Niki, Preuss, Mike, van der Putten, Peter, Batenburg, Kees Joost
There is great interest in agentic LLMs, large language models that act as agents. We review the growing body of work in this area and provide a research agenda. Agentic LLMs are LLMs that (1) reason, (2) act, and (3) interact. We organize the literature according to these three categories. The research in the first category focuses on reasoning, reflection, and retrieval, aiming to improve decision making; the second category focuses on action models, robots, and tools, aiming for agents that act as useful assistants; the third category focuses on multi-agent systems, aiming for collaborative task solving and simulating interaction to study emergent social behavior. We find that works mutually benefit from results in other categories: retrieval enables tool use, reflection improves multi-agent collaboration, and reasoning benefits all categories. We discuss applications of agentic LLMs and provide an agenda for further research. Important applications are in medical diagnosis, logistics and financial market analysis. Meanwhile, self-reflective agents playing roles and interacting with one another augment the process of scientific research itself. Further, agentic LLMs may provide a solution for the problem of LLMs running out of training data: inference-time behavior generates new training states, such that LLMs can keep learning without needing ever larger datasets. We note that there is risk associated with LLM assistants taking action in the real world, while agentic LLMs are also likely to benefit society.
STOOD-X methodology: using statistical nonparametric test for OOD Detection Large-Scale datasets enhanced with explainability
Sevillano-Garcรญa, Ivรกn, Luengo, Juliรกn, Herrera, Francisco
Out-of-Distribution (OOD) detection is a critical task in machine learning, particularly in safety-sensitive applications where model failures can have serious consequences. However, current OOD detection methods often suffer from restrictive distributional assumptions, limited scalability, and a lack of interpretability. To address these challenges, we propose STOOD-X, a two-stage methodology that combines a Statistical nonparametric Test for OOD Detection with eXplainability enhancements. In the first stage, STOOD-X uses feature-space distances and a Wilcoxon-Mann-Whitney test to identify OOD samples without assuming a specific feature distribution. In the second stage, it generates user-friendly, concept-based visual explanations that reveal the features driving each decision, aligning with the BLUE XAI paradigm. Through extensive experiments on benchmark datasets and multiple architectures, STOOD-X achieves competitive performance against state-of-the-art post hoc OOD detectors, particularly in high-dimensional and complex settings. In addition, its explainability framework enables human oversight, bias detection, and model debugging, fostering trust and collaboration between humans and AI systems. The STOOD-X methodology therefore offers a robust, explainable, and scalable solution for real-world OOD detection tasks.
Towards Mobile Sensing with Event Cameras on High-agility Resource-constrained Devices: A Survey
Wang, Haoyang, Guo, Ruishan, Ma, Pengtao, Ruan, Ciyu, Luo, Xinyu, Ding, Wenhua, Zhong, Tianyang, Xu, Jingao, Liu, Yunhao, Chen, Xinlei
With the increasing complexity of mobile device applications, these devices are evolving toward high agility. This shift imposes new demands on mobile sensing, particularly in terms of achieving high accuracy and low latency. Event-based vision has emerged as a disruptive paradigm, offering high temporal resolution, low latency, and energy efficiency, making it well-suited for high-accuracy and low-latency sensing tasks on high-agility platforms. However, the presence of substantial noisy events, the lack of inherent semantic information, and the large data volume pose significant challenges for event-based data processing on resource-constrained mobile devices. This paper surveys the literature over the period 2014-2024, provides a comprehensive overview of event-based mobile sensing systems, covering fundamental principles, event abstraction methods, algorithmic advancements, hardware and software acceleration strategies. We also discuss key applications of event cameras in mobile sensing, including visual odometry, object tracking, optical flow estimation, and 3D reconstruction, while highlighting the challenges associated with event data processing, sensor fusion, and real-time deployment. Furthermore, we outline future research directions, such as improving event camera hardware with advanced optics, leveraging neuromorphic computing for efficient processing, and integrating bio-inspired algorithms to enhance perception. To support ongoing research, we provide an open-source \textit{Online Sheet} with curated resources and recent developments. We hope this survey serves as a valuable reference, facilitating the adoption of event-based vision across diverse applications.
Student-Powered Digital Scholarship CoLab Project in the HKUST Library: Develop a Chinese Named-Entity Recognition (NER) Tool within One Semester from the Ground Up
Yip, Sherry S. L., Han, Berry L., Chan, Holly H. Y.
Starting in February 2024, the HKUST Library further extended the scope of AI literacy to AI utilization, which focuses on fostering student involvement in utilizing state-of-the-art technologies in the projects that initiated by the Library, named "Digital Scholarship (DS) CoLab". A key focus of the DS CoLab scheme has been on cultivating talents and enabling students to utilize advanced technologies in practical context. It aims to reinforce the library's role as a catalyst and hub for fostering multidisciplinary collaboration and cultivate the "can do spirit" among university members. The Library offers 1-2 projects per year for students to engage with advanced technologies in practical contexts while supporting the Library in tackling challenges and streamlining operational tasks. The tool that introduced in this paper was mainly developed by two of the authors, Sherry Yip Sau Lai and Berry Han Liuruo, as part-time student helpers under one of our DS CoLab scheme in the 2024 Spring Semester (February to May 2024). This paper details the complete journey from ideation to implementation of developing a Chinese Named-Entity Recognition (NER) Tool from the group up within one semester, from the initial research and planning stages to execution and come up a viable product. The collaborative spirit fostered by this project, with students playing a central role, exemplifies the power and potential of innovative educational models that prioritize hands-on learning with student involvement.