pwc-archive/papers-with-abstracts huggingface dataset:
Adaptive Thresholding for Multi-Label Classification via Global-Local Signal Fusion
Authors: Dmytro Shamatrin
Date: 2025-05-06 00:00:00
Tasks: Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

Multi-label classification (MLC) requires predicting multiple labels per sample, often under heavy class imbalance and noisy conditions. Traditional approaches apply fixed thresholds or treat labels independently, overlooking context and global rarity. We introduce an adaptive thresholding mechanism that fuses global (IDF-based) and local (KNN-based) signals to produce per-label, per-instance thresholds. Instead of applying these as hard cutoffs, we treat them as differentiable penalties in the loss, providing smooth supervision and better calibration. Our architecture is lightweight, interpretable, and highly modular. On the AmazonCat-13K benchmark, it achieves a macro-F1 of 0.1712, substantially outperforming tree-based and pretrained transformer-based methods. We release full code for reproducibility and future extensions.
Plug-and-Play AMC: Context Is King in Training-Free, Open-Set Modulation with LLMs
Authors: Mohammad Rostami, Atik Faysal, Reihaneh Gh. Roshan, Huaxia Wang, Nikhil Muralidhar, Yu-Dong Yao
Date: 2025-05-06 00:00:00
Tasks: Denoising

Automatic Modulation Classification (AMC) is critical for efficient spectrum management and robust wireless communications. However, AMC remains challenging due to the complex interplay of signal interference and noise. In this work, we propose an innovative framework that integrates traditional signal processing techniques with Large-Language Models (LLMs) to address AMC. Our approach leverages higher-order statistics and cumulant estimation to convert quantitative signal features into structured natural language prompts. By incorporating exemplar contexts into these prompts, our method exploits the LLM's inherent familiarity with classical signal processing, enabling effective one-shot classification without additional training or preprocessing (e.g., denoising). Experimental evaluations on synthetically generated datasets, spanning both noiseless and noisy conditions, demonstrate that our framework achieves competitive performance across diverse modulation schemes and Signal-to-Noise Ratios (SNRs). Moreover, our approach paves the way for robust foundation models in wireless communications across varying channel conditions, significantly reducing the expense associated with developing channel-specific models. This work lays the foundation for scalable, interpretable, and versatile signal classification systems in next-generation wireless networks. The source code is available at https://github.com/RU-SIT/context-is-king
Deep Learning in Renewable Energy Forecasting: A Cross-Dataset Evaluation of Temporal and Spatial Models
Authors: Lutfu Sua, Haibo Wang, Jun Huang
Date: 2025-05-06 00:00:00
Tasks: Hyperparameter Optimization, L2 Regularization

Unpredictability of renewable energy sources coupled with the complexity of those methods used for various purposes in this area calls for the development of robust methods such as DL models within the renewable energy domain. Given the nonlinear relationships among variables in renewable energy datasets, DL models are preferred over traditional machine learning (ML) models because they can effectively capture and model complex interactions between variables. This research aims to identify the factors responsible for the accuracy of DL techniques, such as sampling, stationarity, linearity, and hyperparameter optimization for different algorithms. The proposed DL framework compares various methods and alternative training/test ratios. Seven ML methods, such as Long-Short Term Memory (LSTM), Stacked LSTM, Convolutional Neural Network (CNN), CNN-LSTM, Deep Neural Network (DNN), Multilayer Perceptron (MLP), and Encoder-Decoder (ED), were evaluated on two different datasets. The first dataset contains the weather and power generation data. It encompasses two distinct datasets, hourly energy demand data and hourly weather data in Spain, while the second dataset includes power output generated by the photovoltaic panels at 12 locations. This study deploys regularization approaches, including early stopping, neuron dropping, and L2 regularization, to reduce the overfitting problem associated with DL models. The LSTM and MLP models show superior performance. Their validation data exhibit exceptionally low root mean square error values.
Global Task-aware Fault Detection, Identification For On-Orbit Multi-Spacecraft Collaborative Inspection
Authors: Akshita Gupta, Yashwanth Kumar Nakka, Changrak Choi, Amir Rahmani
Date: 2025-05-06 00:00:00
Tasks: Fault Detection

In this paper, we present a global-to-local task-aware fault detection and identification algorithm to detect failures in a multi-spacecraft system performing a collaborative inspection (referred to as global) task. The inspection task is encoded as a cost functional $\costH$ that informs global (task allocation and assignment) and local (agent-level) decision-making. The metric $\costH$ is a function of the inspection sensor model, and the agent full-pose. We use the cost functional $\costH$ to design a metric that compares the expected and actual performance to detect the faulty agent using a threshold. We use higher-order cost gradients $\costH$ to derive a new metric to identify the type of fault, including task-specific sensor fault, an agent-level actuator, and sensor faults. Furthermore, we propose an approach to design adaptive thresholds for each fault mentioned above to incorporate the time dependence of the inspection task. We demonstrate the efficacy of the proposed method empirically, by simulating and detecting faults (such as inspection sensor faults, actuators, and sensor faults) in a low-Earth orbit collaborative spacecraft inspection task using the metrics and the threshold designed using the global task cost $\costH$.
Adversarial Attacks in Multimodal Systems: A Practitioner's Survey
Authors: Shashank Kapoor, Sanjay Surendranath Girija, Lakshit Arora, Dipen Pradhan, Ankit Shetgaonkar, Aman Raj
Date: 2025-05-06 00:00:00
Tasks: Adversarial Attack, Survey

The introduction of multimodal models is a huge step forward in Artificial Intelligence. A single model is trained to understand multiple modalities: text, image, video, and audio. Open-source multimodal models have made these breakthroughs more accessible. However, considering the vast landscape of adversarial attacks across these modalities, these models also inherit vulnerabilities of all the modalities, and ultimately, the adversarial threat amplifies. While broad research is available on possible attacks within or across these modalities, a practitioner-focused view that outlines attack types remains absent in the multimodal world. As more Machine Learning Practitioners adopt, fine-tune, and deploy open-source models in real-world applications, it's crucial that they can view the threat landscape and take the preventive actions necessary. This paper addresses the gap by surveying adversarial attacks targeting all four modalities: text, image, video, and audio. This survey provides a view of the adversarial attack landscape and presents how multimodal adversarial threats have evolved. To the best of our knowledge, this survey is the first comprehensive summarization of the threat landscape in the multimodal world.
Emergence of Roles in Robotic Teams with Model Sharing and Limited Communication
Authors: Ian O'Flynn, Harun Šiljak
Date: 2025-05-01 00:00:00
Tasks: Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning

We present a reinforcement learning strategy for use in multi-agent foraging systems in which the learning is centralised to a single agent and its model is periodically disseminated among the population of non-learning agents. In a domain where multi-agent reinforcement learning (MARL) is the common approach, this approach aims to significantly reduce the computational and energy demands compared to approaches such as MARL and centralised learning models. By developing high performing foraging agents, these approaches can be translated into real-world applications such as logistics, environmental monitoring, and autonomous exploration. A reward function was incorporated into this approach that promotes role development among agents, without explicit directives. This led to the differentiation of behaviours among the agents. The implicit encouragement of role differentiation allows for dynamic actions in which agents can alter roles dependent on their interactions with the environment without the need for explicit communication between agents.
Safety-Critical Traffic Simulation with Guided Latent Diffusion Model
Authors: Mingxing Peng, Ruoyu Yao, Xusen Guo, Yuting Xie, Xianda Chen, Jun Ma
Date: 2025-05-01 00:00:00
Tasks: Autonomous Driving, Computational Efficiency, Denoising

Safety-critical traffic simulation plays a crucial role in evaluating autonomous driving systems under rare and challenging scenarios. However, existing approaches often generate unrealistic scenarios due to insufficient consideration of physical plausibility and suffer from low generation efficiency. To address these limitations, we propose a guided latent diffusion model (LDM) capable of generating physically realistic and adversarial safety-critical traffic scenarios. Specifically, our model employs a graph-based variational autoencoder (VAE) to learn a compact latent space that captures complex multi-agent interactions while improving computational efficiency. Within this latent space, the diffusion model performs the denoising process to produce realistic trajectories. To enable controllable and adversarial scenario generation, we introduce novel guidance objectives that drive the diffusion process toward producing adversarial and behaviorally realistic driving behaviors. Furthermore, we develop a sample selection module based on physical feasibility checks to further enhance the physical plausibility of the generated scenarios. Extensive experiments on the nuScenes dataset demonstrate that our method achieves superior adversarial effectiveness and generation efficiency compared to existing baselines while maintaining a high level of realism. Our work provides an effective tool for realistic safety-critical scenario simulation, paving the way for more robust evaluation of autonomous driving systems.
Robustly Invertible Nonlinear Dynamics and the BiLipREN: Contracting Neural Models with Contracting Inverses
Authors: Yurui Zhang, Ruigang Wang, Ian R. Manchester
Date: 2025-05-05 00:00:00

We study the invertibility of nonlinear dynamical systems from the perspective of contraction and incremental stability analysis and propose a new invertible recurrent neural model: the BiLipREN. In particular, we consider a nonlinear state space model to be robustly invertible if an inverse exists with a state space realisation, and both the forward model and its inverse are contracting, i.e. incrementally exponentially stable, and Lipschitz, i.e. have bounded incremental gain. This property of bi-Lipschitzness implies both robustness in the sense of sensitivity to input perturbations, as well as robust distinguishability of different inputs from their corresponding outputs, i.e. the inverse model robustly reconstructs the input sequence despite small perturbations to the initial conditions and measured output. Building on this foundation, we propose a parameterization of neural dynamic models: bi-Lipschitz recurrent equilibrium networks (biLipREN), which are robustly invertible by construction. Moreover, biLipRENs can be composed with orthogonal linear systems to construct more general bi-Lipschitz dynamic models, e.g., a nonlinear analogue of minimum-phase/all-pass (inner/outer) factorization. We illustrate the utility of our proposed approach with numerical examples.
Which Agent Causes Task Failures and When? On Automated Failure Attribution of LLM Multi-Agent Systems
Authors: Shaokun Zhang, Ming Yin, Jieyu Zhang, Jiale Liu, Zhiguang Han, Jingyang Zhang, Beibin Li, Chi Wang, Huazheng Wang, Yiran Chen, Qingyun Wu
Date: 2025-04-30 00:00:00

Failure attribution in LLM multi-agent systems-identifying the agent and step responsible for task failures-provides crucial clues for systems debugging but remains underexplored and labor-intensive. In this paper, we propose and formulate a new research area: automated failure attribution for LLM multi-agent systems. To support this initiative, we introduce the Who&When dataset, comprising extensive failure logs from 127 LLM multi-agent systems with fine-grained annotations linking failures to specific agents and decisive error steps. Using the Who&When, we develop and evaluate three automated failure attribution methods, summarizing their corresponding pros and cons. The best method achieves 53.5% accuracy in identifying failure-responsible agents but only 14.2% in pinpointing failure steps, with some methods performing below random. Even SOTA reasoning models, such as OpenAI o1 and DeepSeek R1, fail to achieve practical usability. These results highlight the task's complexity and the need for further research in this area. Code and dataset are available at https://github.com/mingyin1/Agents_Failure_Attribution
ABG-NAS: Adaptive Bayesian Genetic Neural Architecture Search for Graph Representation Learning
Authors: Sixuan Wang, Jiao Yin, Jinli Cao, Mingjian Tang, Hua Wang, Yanchun Zhang
Date: 2025-04-30 00:00:00
Tasks: Graph Neural Network, Graph Representation Learning, Link Prediction, Neural Architecture Search, Node Classification, Representation Learning

Effective and efficient graph representation learning is essential for enabling critical downstream tasks, such as node classification, link prediction, and subgraph search. However, existing graph neural network (GNN) architectures often struggle to adapt to diverse and complex graph structures, limiting their ability to produce structure-aware and task-discriminative representations. To address this challenge, we propose ABG-NAS, a novel framework for automated graph neural network architecture search tailored for efficient graph representation learning. ABG-NAS encompasses three key components: a Comprehensive Architecture Search Space (CASS), an Adaptive Genetic Optimization Strategy (AGOS), and a Bayesian-Guided Tuning Module (BGTM). CASS systematically explores diverse propagation (P) and transformation (T) operations, enabling the discovery of GNN architectures capable of capturing intricate graph characteristics. AGOS dynamically balances exploration and exploitation, ensuring search efficiency and preserving solution diversity. BGTM further optimizes hyperparameters periodically, enhancing the scalability and robustness of the resulting architectures. Empirical evaluations on benchmark datasets (Cora, PubMed, Citeseer, and CoraFull) demonstrate that ABG-NAS consistently outperforms both manually designed GNNs and state-of-the-art neural architecture search (NAS) methods. These results highlight the potential of ABG-NAS to advance graph representation learning by providing scalable and adaptive solutions for diverse graph structures. Our code is publicly available at https://github.com/sserranw/ABG-NAS.
The Coral Protocol: Open Infrastructure Connecting The Internet of Agents
Authors: Roman J. Georgio, Caelum Forder, Suman Deb, Peter Carroll, Önder Gürcan
Date: 2025-04-30 00:00:00

The Coral Protocol is an open and decentralized collaboration infrastructure that enables communication, coordination, trust and payments for The Internet of Agents. It addresses the growing need for interoperability in a world where organizations are deploying multiple specialized AI agents that must work together across domains and vendors. As a foundational platform for multi-agent AI ecosystems, Coral establishes a common language and coordination framework allowing any agent to participate in complex workflows with others. Its design emphasizes broad compatibility, security, and vendor neutrality, ensuring that agent interactions are efficient and trustworthy. In particular, Coral introduces standardized messaging formats for agent communication, a modular coordination mechanism for orchestrating multi-agent tasks, and secure team formation capabilities for dynamically assembling trusted groups of agents. Together, these innovations position Coral Protocol as a cornerstone of the emerging "Internet of Agents," unlocking new levels of automation, collective intelligence, and business value through open agent collaboration.
Teaching Models to Understand (but not Generate) High-risk Data
Authors: Ryan Wang, Matthew Finlayson, Luca Soldaini, Swabha Swayamdipta, Robin Jia
Date: 2025-05-05 00:00:00

Language model developers typically filter out high-risk content -- such as toxic or copyrighted text -- from their pre-training data to prevent models from generating similar outputs. However, removing such data altogether limits models' ability to recognize and appropriately respond to harmful or sensitive content. In this paper, we introduce Selective Loss to Understand but Not Generate (SLUNG), a pre-training paradigm through which models learn to understand high-risk data without learning to generate it. Instead of uniformly applying the next-token prediction loss, SLUNG selectively avoids incentivizing the generation of high-risk tokens while ensuring they remain within the model's context window. As the model learns to predict low-risk tokens that follow high-risk ones, it is forced to understand the high-risk content. Through our experiments, we show that SLUNG consistently improves models' understanding of high-risk data (e.g., ability to recognize toxic content) without increasing its generation (e.g., toxicity of model responses). Overall, our SLUNG paradigm enables models to benefit from high-risk text that would otherwise be filtered out.
How Transformers Learn Regular Language Recognition: A Theoretical Study on Training Dynamics and Implicit Bias
Authors: Ruiquan Huang, Yingbin Liang, Jing Yang
Date: 2025-05-02 00:00:00

Language recognition tasks are fundamental in natural language processing (NLP) and have been widely used to benchmark the performance of large language models (LLMs). These tasks also play a crucial role in explaining the working mechanisms of transformers. In this work, we focus on two representative tasks in the category of regular language recognition, known as `even pairs' and `parity check', the aim of which is to determine whether the occurrences of certain subsequences in a given sequence are even. Our goal is to explore how a one-layer transformer, consisting of an attention layer followed by a linear layer, learns to solve these tasks by theoretically analyzing its training dynamics under gradient descent. While even pairs can be solved directly by a one-layer transformer, parity check need to be solved by integrating Chain-of-Thought (CoT), either into the inference stage of a transformer well-trained for the even pairs task, or into the training of a one-layer transformer. For both problems, our analysis shows that the joint training of attention and linear layers exhibits two distinct phases. In the first phase, the attention layer grows rapidly, mapping data sequences into separable vectors. In the second phase, the attention layer becomes stable, while the linear layer grows logarithmically and approaches in direction to a max-margin hyperplane that correctly separates the attention layer outputs into positive and negative samples, and the loss decreases at a rate of $O(1/t)$. Our experiments validate those theoretical results.
MF-LLM: Simulating Population Decision Dynamics via a Mean-Field Large Language Model Framework
Authors: Qirui Mi, Mengyue Yang, Xiangning Yu, Zhiyu Zhao, Cheng Deng, Bo An, Haifeng Zhang, Xu Chen, Jun Wang
Date: 2025-04-30 00:00:00
Tasks: Decision Making, Language Modeling, Language Modelling, Large Language Model

Simulating collective decision-making involves more than aggregating individual behaviors; it emerges from dynamic interactions among individuals. While large language models (LLMs) offer strong potential for social simulation, achieving quantitative alignment with real-world data remains a key challenge. To bridge this gap, we propose the Mean-Field LLM (MF-LLM) framework, the first to incorporate mean field theory into LLM-based social simulation. MF-LLM models bidirectional interactions between individuals and the population through an iterative process, generating population signals to guide individual decisions, which in turn update the signals. This interplay produces coherent trajectories of collective behavior. To improve alignment with real-world data, we introduce IB-Tune, a novel fine-tuning method inspired by the Information Bottleneck principle, which retains population signals most predictive of future actions while filtering redundant history. Evaluated on a real-world social dataset, MF-LLM reduces KL divergence to human population distributions by 47\% compared to non-mean-field baselines, enabling accurate trend forecasting and effective intervention planning. Generalizing across 7 domains and 4 LLM backbones, MF-LLM provides a scalable, high-fidelity foundation for social simulation.
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Authors: Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, Mehrad Ansari, Joshua Bocarsly, L. Catherine Brinson, Yuan Chiang, Defne Circi, Min-Hsueh Chiu, Nathan Daelman, Matthew L. Evans, Abhijeet S. Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Takrim Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Naik, Aleyna Beste Ozhan, Dieter Plessers, Aritra Roy, Fabian Schöppach, Philippe Schwaller, Carla Terboven, Katharina Ueltzen, Yue Wu, Shang Zhu, Jan Janssen, Calvin Li, Ian Foster, Ben Blaiszik
Date: 2025-05-05 00:00:00
Tasks: Large Language Model, Molecular Property Prediction, Property Prediction, scientific discovery

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.