OpenRaiser/Intern-Atlas huggingface dataset:
Exploring Modularity of Agentic Systems for Drug Discovery
Venue: arXiv cs.LG 2025
Year: 2025

Large-language models (LLMs) and agentic systems present exciting opportunities to accelerate drug discovery. In this study, we examine the modularity of LLM-based agentic systems for drug discovery, i.e., whether parts of the system such as the LLM and type of agent are interchangeable, a topic that has received limited attention in drug discovery. We compare the performance of different LLMs and the effectiveness of tool-calling agents versus code-generating agents. Our case study, comparing performance in orchestrating tools for chemistry and drug discovery using an LLM-as-a-judge score, shows that Claude-3.5-Sonnet, Claude-3.7-Sonnet and GPT-4o outperform alternative language models such as Llama-3.1-8B, Llama-3.1-70B, GPT-3.5-Turbo, and Nova-Micro. Although we confirm that code-generating agents outperform the tool-calling ones on average, we show that this is highly question- and model-dependent. Furthermore, the impact of replacing system prompts is dependent on the question and model, underscoring that even in this particular domain one cannot just replace components of the system without re-engineering. Our study highlights the necessity of further research into the modularity of agentic systems to enable the development of reliable and modular solutions for real-world problems.
Scott's Representation Theorem and the Univalent Karoubi Envelope
Venue: arXiv cs.LO 2025
Year: 2025

Lambek and Scott constructed a correspondence between simply-typed lambda calculi and Cartesian closed categories. Scott's Representation Theorem is a cousin to this result for untyped lambda calculi. It states that every untyped lambda calculus arises from a reflexive object in some category. We present a formalization of Scott's Representation Theorem in univalent foundations, in the (Rocq-)UniMath library. Specifically, we implement two proofs of that theorem, one by Scott and one by Hyland. We also explain the role of the Karoubi envelope -- a categorical construction -- in the proofs and the impact the chosen foundation has on this construction. Finally, we report on some automation we have implemented for the reduction of $λ$-terms.
Faster exponential algorithms for cut problems via geometric data structures
Venue: arXiv cs.DS 2025
Year: 2025

For many hard computational problems, simple algorithms that run in time $2^n \cdot n^{O(1)}$ arise, say, from enumerating all subsets of a size-$n$ set. Finding (exponentially) faster algorithms is a natural goal that has driven much of the field of exact exponential algorithms (e.g., see Fomin and Kratsch, 2010). In this paper we obtain algorithms with running time $O(1.9999977^n)$ on input graphs with $n$ vertices, for the following well-studied problems: - $d$-Cut: find a proper cut in which no vertex has more than $d$ neighbors on the other side of the cut; - Internal Partition: find a proper cut in which every vertex has at least as many neighbors on its side of the cut as on the other side; and - ($α,β$)-Domination: given intervals $α,β\subseteq [0,n]$, find a subset $S$ of the vertices, so that for every vertex $v \in S$ the number of neighbors of $v$ in $S$ is from $α$ and for every vertex $v \notin S$, the number of neighbors of $v$ in $S$ is from $β$. Our algorithms are exceedingly simple, combining the split and list technique (Horowitz and Sahni, 1974; Williams, 2005) with a tool from computational geometry: orthogonal range searching in the moderate dimensional regime (Chan, 2017). Our technique is applicable to the decision, optimization and counting versions of these problems and easily extends to various generalizations with more fine-grained, vertex-specific constraints, as well as to directed, balanced, and other variants. Algorithms with running times of the form $c^n$, for $c<2$, were known for the first problem only for constant $d$, and for the third problem for certain special cases of $α$ and $β$; for the second problem we are not aware of such results.
OutDreamer: Video Outpainting with a Diffusion Transformer
Venue: arXiv cs.CV 2025
Year: 2025

Video outpainting is a challenging task that generates new video content by extending beyond the boundaries of an original input video, requiring both temporal and spatial consistency. Many state-of-the-art methods utilize latent diffusion models with U-Net backbones but still struggle to achieve high quality and adaptability in generated content. Diffusion transformers (DiTs) have emerged as a promising alternative because of their superior performance. We introduce OutDreamer, a DiT-based video outpainting framework comprising two main components: an efficient video control branch and a conditional outpainting branch. The efficient video control branch effectively extracts masked video information, while the conditional outpainting branch generates missing content based on these extracted conditions. Additionally, we propose a mask-driven self-attention layer that dynamically integrates the given mask information, further enhancing the model's adaptability to outpainting tasks. Furthermore, we introduce a latent alignment loss to maintain overall consistency both within and between frames. For long video outpainting, we employ a cross-video-clip refiner to iteratively generate missing content, ensuring temporal consistency across video clips. Extensive evaluations demonstrate that our zero-shot OutDreamer outperforms state-of-the-art zero-shot methods on widely recognized benchmarks.
Conceptual Topic Aggregation
Venue: arXiv cs.AI 2025
Year: 2025

The vast growth of data has rendered traditional manual inspection infeasible, necessitating the adoption of computational methods for efficient data exploration. Topic modeling has emerged as a powerful tool for analyzing large-scale textual datasets, enabling the extraction of latent semantic structures. However, existing methods for topic modeling often struggle to provide interpretable representations that facilitate deeper insights into data structure and content. In this paper, we propose FAT-CAT, an approach based on Formal Concept Analysis (FCA) to enhance meaningful topic aggregation and visualization of discovered topics. Our approach can handle diverse topics and file types -- grouped by directories -- to construct a concept lattice that offers a structured, hierarchical representation of their topic distribution. In a case study on the ETYNTKE dataset, we evaluate the effectiveness of our approach against other representation methods to demonstrate that FCA-based aggregation provides more meaningful and interpretable insights into dataset composition than existing topic modeling techniques.
From Ground to Air: Noise Robustness in Vision Transformers and CNNs for Event-Based Vehicle Classification with Potential UAV Applications
Venue: arXiv cs.CV 2025
Year: 2025

This study investigates the performance of the two most relevant computer vision deep learning architectures, Convolutional Neural Network and Vision Transformer, for event-based cameras. These cameras capture scene changes, unlike traditional frame-based cameras with capture static images, and are particularly suited for dynamic environments such as UAVs and autonomous vehicles. The deep learning models studied in this work are ResNet34 and ViT B16, fine-tuned on the GEN1 event-based dataset. The research evaluates and compares these models under both standard conditions and in the presence of simulated noise. Initial evaluations on the clean GEN1 dataset reveal that ResNet34 and ViT B16 achieve accuracies of 88% and 86%, respectively, with ResNet34 showing a slight advantage in classification accuracy. However, the ViT B16 model demonstrates notable robustness, particularly given its pre-training on a smaller dataset. Although this study focuses on ground-based vehicle classification, the methodologies and findings hold significant promise for adaptation to UAV contexts, including aerial object classification and event-based vision systems for aviation-related tasks.
Towards Fair Rankings: Leveraging LLMs for Gender Bias Detection and Measurement
Venue: arXiv cs.IR 2025
Year: 2025

The presence of social biases in Natural Language Processing (NLP) and Information Retrieval (IR) systems is an ongoing challenge, which underlines the importance of developing robust approaches to identifying and evaluating such biases. In this paper, we aim to address this issue by leveraging Large Language Models (LLMs) to detect and measure gender bias in passage ranking. Existing gender fairness metrics rely on lexical- and frequency-based measures, leading to various limitations, e.g., missing subtle gender disparities. Building on our LLM-based gender bias detection method, we introduce a novel gender fairness metric, named Class-wise Weighted Exposure (CWEx), aiming to address existing limitations. To measure the effectiveness of our proposed metric and study LLMs' effectiveness in detecting gender bias, we annotate a subset of the MS MARCO Passage Ranking collection and release our new gender bias collection, called MSMGenderBias, to foster future research in this area. Our extensive experimental results on various ranking models show that our proposed metric offers a more detailed evaluation of fairness compared to previous metrics, with improved alignment to human labels (58.77% for Grep-BiasIR, and 18.51% for MSMGenderBias, measured using Cohen's Kappa agreement), effectively distinguishing gender bias in ranking. By integrating LLM-driven bias detection, an improved fairness metric, and gender bias annotations for an established dataset, this work provides a more robust framework for analyzing and mitigating bias in IR systems.
Refining Czech GEC: Insights from a Multi-Experiment Approach
Venue: arXiv cs.CL 2025
Year: 2025

We present a grammar error correction (GEC) system that achieves state of the art for the Czech language. Our system is based on a neural network translation approach with the Transformer architecture, and its key feature is its real-time synthetic generation pipeline, which dynamically augments sentences with artificial errors by introducing both language-agnostic and Czech-specific errors. We conduct a comprehensive series of experiments, investigating the Czech GEC corpora as bases for synthetic error introduction, several error generation strategies, domain balancing, tokenization granularity, model size, and data scaling during fine-tuning. Additionally, we evaluate the performance of large language models (LLMs) on Czech GEC in both end-user and expert fine-tuning scenarios. Our best-performing model is superior both in performance and computational efficiency. The source code and the trained model links are available on https://github.com/ufal/tsd2025-gec.
From Model Design to Organizational Design: Complexity Redistribution and Trade-Offs in Generative AI
Venue: arXiv cs.CY 2025
Year: 2025

This paper introduces the Generality-Accuracy-Simplicity (GAS) framework to analyze how large language models (LLMs) are reshaping organizations and competitive strategy. We argue that viewing AI as a simple reduction in input costs overlooks two critical dynamics: (a) the inherent trade-offs among generality, accuracy, and simplicity, and (b) the redistribution of complexity across stakeholders. While LLMs appear to defy the traditional trade-off by offering high generality and accuracy through simple interfaces, this user-facing simplicity masks a significant shift of complexity to infrastructure, compliance, and specialized personnel. The GAS trade-off, therefore, does not disappear but is relocated from the user to the organization, creating new managerial challenges, particularly around accuracy in high-stakes applications. We contend that competitive advantage no longer stems from mere AI adoption, but from mastering this redistributed complexity through the design of abstraction layers, workflow alignment, and complementary expertise. This study advances AI strategy by clarifying how scalable cognition relocates complexity and redefines the conditions for technology integration.
Hierarchical Adversarially-Resilient Multi-Agent Reinforcement Learning for Cyber-Physical Systems Security
Venue: arXiv cs.LG 2025
Year: 2025

Cyber-Physical Systems play a critical role in the infrastructure of various sectors, including manufacturing, energy distribution, and autonomous transportation systems. However, their increasing connectivity renders them highly vulnerable to sophisticated cyber threats, such as adaptive and zero-day attacks, against which traditional security methods like rule-based intrusion detection and single-agent reinforcement learning prove insufficient. To overcome these challenges, this paper introduces a novel Hierarchical Adversarially-Resilient Multi-Agent Reinforcement Learning (HAMARL) framework. HAMARL employs a hierarchical structure consisting of local agents dedicated to subsystem security and a global coordinator that oversees and optimizes comprehensive, system-wide defense strategies. Furthermore, the framework incorporates an adversarial training loop designed to simulate and anticipate evolving cyber threats, enabling proactive defense adaptation. Extensive experimental evaluations conducted on a simulated industrial IoT testbed indicate that HAMARL substantially outperforms traditional multi-agent reinforcement learning approaches, significantly improving attack detection accuracy, reducing response times, and ensuring operational continuity. The results underscore the effectiveness of combining hierarchical multi-agent coordination with adversarially-aware training to enhance the resilience and security of next-generation CPS.
Computational Analysis of Climate Policy
Venue: arXiv cs.CY 2025
Year: 2025

This thesis explores the impact of the Climate Emergency movement on local government climate policy, using computational methods. The Climate Emergency movement sought to accelerate climate action at local government level through the mechanism of Climate Emergency Declarations (CEDs), resulting in a series of commitments from councils to treat climate change as an emergency. With the aim of assessing the potential of current large language models to answer complex policy questions, I first built and configured a system named PALLM (Policy Analysis with a Large Language Model), using the OpenAI model GPT-4. This system is designed to apply a conceptual framework for climate emergency response plans to a dataset of climate policy documents. I validated the performance of this system with the help of local government policymakers, by generating analyses of the climate policies of 11 local governments in Victoria and assessing the policymakers' level of agreement with PALLM's responses. Having established that PALLM's performance is satisfactory, I used it to conduct a large-scale analysis of current policy documents from local governments in the state of Victoria, Australia. This thesis presents the methodology and results of this analysis, comparing the results for councils which have passed a CED to those which did not. This study finds that GPT-4 is capable of high-level policy analysis, with limitations including a lack of reliable attribution, and can also enable more nuanced analysis by researchers. Its use in this research shows that councils which have passed a CED are more likely to have a recent and climate-specific policy, and show more attention to urgency, prioritisation, and equity and social justice, than councils which have not. It concludes that the ability to assess policy documents at scale opens up exciting new opportunities for policy researchers.
Wireless Home Automation Using Social Networking Websites
Venue: arXiv cs.NI 2025
Year: 2025

With the advent of Internet of Things, Wireless Home Automation Systems WHAS are gradually gaining popularity. These systems are faced with multiple challenges such as security; controlling a variety of home appliances with a single interface and user friendliness. In this paper we propose a system that uses secure authentication systems of social networking websites such as Twitter, tracks the end-users activities on the social network and then control his or her domestic appliances. At the end, we highlight the applications of the proposed WHAS and compare the advantages of our proposed system over traditional home automation systems.
AI Agents-as-Judge: Automated Assessment of Accuracy, Consistency, Completeness and Clarity for Enterprise Documents
Venue: arXiv cs.CL 2025
Year: 2025

This study presents a modular, multi-agent system for the automated review of highly structured enterprise business documents using AI agents. Unlike prior solutions focused on unstructured texts or limited compliance checks, this framework leverages modern orchestration tools such as LangChain, CrewAI, TruLens, and Guidance to enable section-by-section evaluation of documents for accuracy, consistency, completeness, and clarity. Specialized agents, each responsible for discrete review criteria such as template compliance or factual correctness, operate in parallel or sequence as required. Evaluation outputs are enforced to a standardized, machine-readable schema, supporting downstream analytics and auditability. Continuous monitoring and a feedback loop with human reviewers allow for iterative system improvement and bias mitigation. Quantitative evaluation demonstrates that the AI Agent-as-Judge system approaches or exceeds human performance in key areas: achieving 99% information consistency (vs. 92% for humans), halving error and bias rates, and reducing average review time from 30 to 2.5 minutes per document, with a 95% agreement rate between AI and expert human judgment. While promising for a wide range of industries, the study also discusses current limitations, including the need for human oversight in highly specialized domains and the operational cost of large-scale LLM usage. The proposed system serves as a flexible, auditable, and scalable foundation for AI-driven document quality assurance in the enterprise context.
Stabilization of industrial processes with time series machine learning
Venue: arXiv cs.LG 2025
Year: 2025

The stabilization of time series processes is a crucial problem that is ubiquitous in various industrial fields. The application of machine learning to its solution can have a decisive impact, improving both the quality of the resulting stabilization with less computational resources required. In this work, we present a simple pipeline consisting of two neural networks: the oracle predictor and the optimizer, proposing a substitution of the point-wise values optimization to the problem of the neural network training, which successfully improves stability in terms of the temperature control by about 3 times compared to ordinary solvers.
Weakly Supervised Object Segmentation by Background Conditional Divergence
Venue: arXiv cs.CV 2025
Year: 2025

As a computer vision task, automatic object segmentation remains challenging in specialized image domains without massive labeled data, such as synthetic aperture sonar images, remote sensing, biomedical imaging, etc. In any domain, obtaining pixel-wise segmentation masks is expensive. In this work, we propose a method for training a masking network to perform binary object segmentation using weak supervision in the form of image-wise presence or absence of an object of interest, which provides less information but may be obtained more quickly from manual or automatic labeling. A key step in our method is that the segmented objects can be placed into background-only images to create realistic images of the objects with counterfactual backgrounds. To create a contrast between the original and counterfactual background images, we propose to first cluster the background-only images and then, during learning, create counterfactual images that blend objects segmented from their original source backgrounds to backgrounds chosen from a targeted cluster. One term in the training loss is the divergence between these counterfactual images and the real object images with backgrounds of the target cluster. The other term is a supervised loss for background-only images. While an adversarial critic could provide the divergence, we use sample-based divergences. We conduct experiments on side-scan and synthetic aperture sonar in which our approach succeeds compared to previous unsupervised segmentation baselines that were only tested on natural images. Furthermore, to show generality we extend our experiments to natural images, obtaining reasonable performance with our method that avoids pretrained networks, generative networks, and adversarial critics. The code for this work can be found at \href{GitHub}{https://github.com/bakerhassan/WSOS}.
Integrated Multimodal Sensing and Communication: Challenges, Technologies, and Architectures
Venue: arXiv cs.NI 2025
Year: 2025

The evolution towards 6G networks requires the intelligent integration of communication and sensing capabilities to support diverse and complex applications, such as autonomous driving and immersive services. However, existing integrated sensing and communication (ISAC) systems predominantly rely on single-modal sensors as primary participants, which leads to a limited representation of environmental features and significant performance bottlenecks under the emerging requirements of 6G applications. This limitation motivates a paradigm shift from single-modal to multimodal ISAC. In this article, we first analyze the key challenges in realizing multimodal ISAC, including the fusion of heterogeneous multimodal data, the high communication overhead among distributed sensors, and the design of efficient and scalable system architectures. We then introduce several enabling technologies, such as large AI models, semantic communication, and multi-agent systems, that hold promise for addressing these challenges. To operationalize these technologies, we zoom into three architectural paradigms: fusion-based multimodal ISAC (F-MAC), interaction-based multimodal ISAC (I-MAC), and relay-based multimodal ISAC (R-MAC), each tailored to organize devices and modalities for efficient collaboration in different scenarios. Thereafter, a case study is presented based on the F-MAC scheme, demonstrating that the scheme achieves more comprehensive sensing and improves sensing accuracy by approximately 80% compared to conventional single-modal ISAC systems. Finally, we discuss several open issues to be addressed in the future.
Exploration Behavior of Untrained Policies
Venue: arXiv cs.LG 2025
Year: 2025

Exploration remains a fundamental challenge in reinforcement learning (RL), particularly in environments with sparse or adversarial reward structures. In this work, we study how the architecture of deep neural policies implicitly shapes exploration before training. We theoretically and empirically demonstrate strategies for generating ballistic or diffusive trajectories from untrained policies in a toy model. Using the theory of infinite-width networks and a continuous-time limit, we show that untrained policies return correlated actions and result in non-trivial state-visitation distributions. We discuss the distributions of the corresponding trajectories for a standard architecture, revealing insights into inductive biases for tackling exploration. Our results establish a theoretical and experimental framework for using policy initialization as a design tool to understand exploration behavior in early training.