Energy
Model-Based Exploration in Monitored Markov Decision Processes
Kazemipour, Alireza, Parisi, Simone, Taylor, Matthew E., Bowling, Michael
A tenet of reinforcement learning is that rewards are always observed by the agent. However, this is not true in many realistic settings, e.g., a human observer may not always be able to provide rewards, a sensor to observe rewards may be limited or broken, or rewards may be unavailable during deployment. Monitored Markov decision processes (Mon-MDPs) have recently been proposed as a model of such settings. Yet, Mon-MDP algorithms developed thus far do not fully exploit the problem structure, cannot take advantage of a known monitor, have no worst-case guarantees for ``unsolvable'' Mon-MDPs without specific initialization, and only have asymptotic proofs of convergence. This paper makes three contributions. First, we introduce a model-based algorithm for Mon-MDPs that addresses all of these shortcomings. The algorithm uses two instances of model-based interval estimation, one to guarantee that observable rewards are indeed observed, and another to learn the optimal policy. Second, empirical results demonstrate these advantages, showing faster convergence than prior algorithms in over two dozen benchmark settings, and even more dramatic improvements when the monitor process is known. Third, we present the first finite-sample bound on performance and show convergence to an optimal worst-case policy when some rewards are never observable.
Deep Learning and LLM-based Methods Applied to Stellar Lightcurve Classification
Li, Yu-Yang, Bai, Yu, Wang, Cunshi, Qu, Mengwei, Lu, Ziteng, Soria, Roberto, Liu, Jifeng
Light curves serve as a valuable source of information on stellar formation and evolution. With the rapid advancement of machine learning techniques, it can be effectively processed to extract astronomical patterns and information. In this study, we present a comprehensive evaluation of deep-learning and large language model (LLM) based models for the automatic classification of variable star light curves, based on large datasets from the Kepler and K2 missions. Special emphasis is placed on Cepheids, RR Lyrae, and eclipsing binaries, examining the influence of observational cadence and phase distribution on classification precision. Employing AutoDL optimization, we achieve striking performance with the 1D-Convolution+BiLSTM architecture and the Swin Transformer, hitting accuracies of 94\% and 99\% correspondingly, with the latter demonstrating a notable 83\% accuracy in discerning the elusive Type II Cepheids-comprising merely 0.02\% of the total dataset.We unveil StarWhisper LightCurve (LC), an innovative Series comprising three LLM-based models: LLM, multimodal large language model (MLLM), and Large Audio Language Model (LALM). Each model is fine-tuned with strategic prompt engineering and customized training methods to explore the emergent abilities of these models for astronomical data. Remarkably, StarWhisper LC Series exhibit high accuracies around 90\%, significantly reducing the need for explicit feature engineering, thereby paving the way for streamlined parallel data processing and the progression of multifaceted multimodal models in astronomical applications. The study furnishes two detailed catalogs illustrating the impacts of phase and sampling intervals on deep learning classification accuracy, showing that a substantial decrease of up to 14\% in observation duration and 21\% in sampling points can be realized without compromising accuracy by more than 10\%.
Posterior Inference with Diffusion Models for High-dimensional Black-box Optimization
Yun, Taeyoung, Om, Kiyoung, Lee, Jaewoo, Yun, Sujin, Park, Jinkyoo
Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficient optimization, it struggles with the curse of dimensionality and scaling to thousands of evaluations. Recently, leveraging generative models to solve black-box optimization problems has emerged as a promising framework. However, those methods often underperform compared to BO methods due to limited expressivity and difficulty of uncertainty estimation in high-dimensional spaces. To overcome these issues, we introduce \textbf{DiBO}, a novel framework for solving high-dimensional black-box optimization problems. Our method iterates two stages. First, we train a diffusion model to capture the data distribution and an ensemble of proxies to predict function values with uncertainty quantification. Second, we cast the candidate selection as a posterior inference problem to balance exploration and exploitation in high-dimensional spaces. Concretely, we fine-tune diffusion models to amortize posterior inference. Extensive experiments demonstrate that our method outperforms state-of-the-art baselines across various synthetic and real-world black-box optimization tasks. Our code is publicly available \href{https://github.com/umkiyoung/DiBO}{here}
Rewards-based image analysis in microscopy
Barakati, Kamyar, Liu, Yu, Pratiush, Utkarsh, Slautin, Boris N., Kalinin, Sergei V.
Analyzing imaging and hyperspectral data is crucial across scientific fields, including biology, medicine, chemistry, and physics. The primary goal is to transform high-resolution or high-dimensional data into an interpretable format to generate actionable insights, aiding decision-making and advancing knowledge. Currently, this task relies on complex, human-designed workflows comprising iterative steps such as denoising, spatial sampling, keypoint detection, feature generation, clustering, dimensionality reduction, and physics-based deconvolutions. The introduction of machine learning over the past decade has accelerated tasks like image segmentation and object detection via supervised learning, and dimensionality reduction via unsupervised methods. However, both classical and NN-based approaches still require human input, whether for hyperparameter tuning, data labeling, or both. The growing use of automated imaging tools, from atomically resolved imaging to biological applications, demands unsupervised methods that optimize data representation for human decision-making or autonomous experimentation. Here, we discuss advances in reward-based workflows, which adopt expert decision-making principles and demonstrate strong transfer learning across diverse tasks. We represent image analysis as a decision-making process over possible operations and identify desiderata and their mappings to classical decision-making frameworks. Reward-driven workflows enable a shift from supervised, black-box models sensitive to distribution shifts to explainable, unsupervised, and robust optimization in image analysis. They can function as wrappers over classical and DCNN-based methods, making them applicable to both unsupervised and supervised workflows (e.g., classification, regression for structure-property mapping) across imaging and hyperspectral data.
RapidPen: Fully Automated IP-to-Shell Penetration Testing with LLM-based Agents
We present RapidPen, a fully automated penetration testing (pentesting) framework that addresses the challenge of achieving an initial foothold (IP-to-Shell) without human intervention. Unlike prior approaches that focus primarily on post-exploitation or require a human-in-the-loop, RapidPen leverages large language models (LLMs) to autonomously discover and exploit vulnerabilities, starting from a single IP address. By integrating advanced ReAct-style task planning (Re) with retrieval-augmented knowledge bases of successful exploits, along with a command-generation and direct execution feedback loop (Act), RapidPen systematically scans services, identifies viable attack vectors, and executes targeted exploits in a fully automated manner. In our evaluation against a vulnerable target from the Hack The Box platform, RapidPen achieved shell access within 200-400 seconds at a per-run cost of approximately \$0.3-\$0.6, demonstrating a 60\% success rate when reusing prior "success-case" data. These results underscore the potential of truly autonomous pentesting for both security novices and seasoned professionals. Organizations without dedicated security teams can leverage RapidPen to quickly identify critical vulnerabilities, while expert pentesters can offload repetitive tasks and focus on complex challenges. Ultimately, our work aims to make penetration testing more accessible and cost-efficient, thereby enhancing the overall security posture of modern software ecosystems.
Time Series Domain Adaptation via Latent Invariant Causal Mechanism
Cai, Ruichu, Huang, Junxian, Yang, Zhenhui, Li, Zijian, Eldele, Emadeldeen, Wu, Min, Sun, Fuchun
Time series domain adaptation aims to transfer the complex temporal dependence from the labeled source domain to the unlabeled target domain. Recent advances leverage the stable causal mechanism over observed variables to model the domain-invariant temporal dependence. However, modeling precise causal structures in high-dimensional data, such as videos, remains challenging. Additionally, direct causal edges may not exist among observed variables (e.g., pixels). These limitations hinder the applicability of existing approaches to real-world scenarios. To address these challenges, we find that the high-dimension time series data are generated from the low-dimension latent variables, which motivates us to model the causal mechanisms of the temporal latent process. Based on this intuition, we propose a latent causal mechanism identification framework that guarantees the uniqueness of the reconstructed latent causal structures. Specifically, we first identify latent variables by utilizing sufficient changes in historical information. Moreover, by enforcing the sparsity of the relationships of latent variables, we can achieve identifiable latent causal structures. Built on the theoretical results, we develop the Latent Causality Alignment (LCA) model that leverages variational inference, which incorporates an intra-domain latent sparsity constraint for latent structure reconstruction and an inter-domain latent sparsity constraint for domain-invariant structure reconstruction. Experiment results on eight benchmarks show a general improvement in the domain-adaptive time series classification and forecasting tasks, highlighting the effectiveness of our method in real-world scenarios. Codes are available at https://github.com/DMIRLAB-Group/LCA.
The Hidden Strength of Disagreement: Unraveling the Consensus-Diversity Tradeoff in Adaptive Multi-Agent Systems
Consensus formation is pivotal in multi-agent systems (MAS), balancing collective coherence with individual diversity. Conventional LLM-based MAS primarily rely on explicit coordination, e.g., prompts or voting, risking premature homogenization. We argue that implicit consensus, where agents exchange information yet independently form decisions via in-context learning, can be more effective in dynamic environments that require long-horizon adaptability. By retaining partial diversity, systems can better explore novel strategies and cope with external shocks. We formalize a consensus-diversity tradeoff, showing conditions where implicit methods outperform explicit ones. Experiments on three scenarios -- Dynamic Disaster Response, Information Spread and Manipulation, and Dynamic Public-Goods Provision -- confirm partial deviation from group norms boosts exploration, robustness, and performance. We highlight emergent coordination via in-context learning, underscoring the value of preserving diversity for resilient decision-making.
Retrieval-Augmented Fine-Tuning With Preference Optimization For Visual Program Generation
Kang, Deokhyung, Cho, Jeonghun, Jeon, Yejin, Jang, Sunbin, Lee, Minsub, Cho, Jawoon, Lee, Gary Geunbae
Visual programming languages (VPLs) allow users to create programs through graphical interfaces, which results in easier accessibility and their widespread usage in various domains. To further enhance this accessibility, recent research has focused on generating VPL code from user instructions using large language models (LLMs). Specifically, by employing prompting-based methods, these studies have shown promising results. Nevertheless, such approaches can be less effective for industrial VPLs such as Ladder Diagram (LD). LD is a pivotal language used in industrial automation processes and involves extensive domain-specific configurations, which are difficult to capture in a single prompt. In this work, we demonstrate that training-based methods outperform prompting-based methods for LD generation accuracy, even with smaller backbone models. Building on these findings, we propose a two-stage training strategy to further enhance VPL generation. First, we employ retrieval-augmented fine-tuning to leverage the repetitive use of subroutines commonly seen in industrial VPLs. Second, we apply direct preference optimization (DPO) to further guide the model toward accurate outputs, using systematically generated preference pairs through graph editing operations. Extensive experiments on real-world LD data demonstrate that our approach improves program-level accuracy by over 10% compared to supervised fine-tuning, which highlights its potential to advance industrial automation.
Cross-domain Few-shot Object Detection with Multi-modal Textual Enrichment
Shangguan, Zeyu, Seita, Daniel, Rostami, Mohammad
Advancements in cross-modal feature extraction and integration have significantly enhanced performance in few-shot learning tasks. However, current multi-modal object detection (MM-OD) methods often experience notable performance degradation when encountering substantial domain shifts. We propose that incorporating rich textual information can enable the model to establish a more robust knowledge relationship between visual instances and their corresponding language descriptions, thereby mitigating the challenges of domain shift. Specifically, we focus on the problem of Cross-Domain Multi-Modal Few-Shot Object Detection (CDMM-FSOD) and introduce a meta-learning-based framework designed to leverage rich textual semantics as an auxiliary modality to achieve effective domain adaptation. Our new architecture incorporates two key components: (i) A multi-modal feature aggregation module, which aligns visual and linguistic feature embeddings to ensure cohesive integration across modalities. (ii) A rich text semantic rectification module, which employs bidirectional text feature generation to refine multi-modal feature alignment, thereby enhancing understanding of language and its application in object detection. We evaluate the proposed method on common cross-domain object detection benchmarks and demonstrate that it significantly surpasses existing few-shot object detection approaches.
Contrastive Learning of English Language and Crystal Graphs for Multimodal Representation of Materials Knowledge
Park, Yang Jeong, Kumaran, Mayank, Hsu, Chia-Wei, Olivetti, Elsa, Li, Ju
Artificial intelligence (AI) is increasingly used for the inverse design of materials, such as crystals and molecules. Existing AI research on molecules has integrated chemical structures of molecules with textual knowledge to adapt to complex instructions. However, this approach has been unattainable for crystals due to data scarcity from the biased distribution of investigated crystals and the lack of semantic supervision in peer-reviewed literature. In this work, we introduce a contrastive language-crystals model (CLaC) pre-trained on a newly synthesized dataset of 126k crystal structure-text pairs. To demonstrate the advantage of using synthetic data to overcome data scarcity, we constructed a comparable dataset extracted from academic papers. We evaluate CLaC's generalization ability through various zero-shot cross-modal tasks and downstream applications. In experiments, CLaC achieves state-of-the-art zero-shot generalization performance in understanding crystal structures, surpassing latest large language models.