pwc-archive/papers-with-abstracts huggingface dataset:
Guaranteed confidence-band enclosures for PDE surrogates
Authors: Ander Gray, Vignesh Gopakumar, Sylvain Rousseau, Sébastien Destercke
Date: 2025-01-30 00:00:00
Tasks: Prediction

We propose a method for obtaining statistically guaranteed confidence bands for functional machine learning techniques: surrogate models which map between function spaces, motivated by the need build reliable PDE emulators. The method constructs nested confidence sets on a low-dimensional representation (an SVD) of the surrogate model's prediction error, and then maps these sets to the prediction space using set-propagation techniques. The result are conformal-like coverage guaranteed prediction sets for functional surrogate models. We use zonotopes as basis of the set construction, due to their well studied set-propagation and verification properties. The method is model agnostic and can thus be applied to complex Sci-ML models, including Neural Operators, but also in simpler settings. We also elicit a technique to capture the truncation error of the SVD, ensuring the guarantees of the method.
GBFRS: Robust Fuzzy Rough Sets via Granular-ball Computing
Authors: Shuyin Xia, Xiaoyu Lian, Binbin Sang, Guoyin Wang, Xinbo Gao
Date: 2025-01-30 00:00:00
Tasks: Attribute, feature selection

Fuzzy rough set theory is effective for processing datasets with complex attributes, supported by a solid mathematical foundation and closely linked to kernel methods in machine learning. Attribute reduction algorithms and classifiers based on fuzzy rough set theory exhibit promising performance in the analysis of high-dimensional multivariate complex data. However, most existing models operate at the finest granularity, rendering them inefficient and sensitive to noise, especially for high-dimensional big data. Thus, enhancing the robustness of fuzzy rough set models is crucial for effective feature selection. Muiti-garanularty granular-ball computing, a recent development, uses granular-balls of different sizes to adaptively represent and cover the sample space, performing learning based on these granular-balls. This paper proposes integrating multi-granularity granular-ball computing into fuzzy rough set theory, using granular-balls to replace sample points. The coarse-grained characteristics of granular-balls make the model more robust. Additionally, we propose a new method for generating granular-balls, scalable to the entire supervised method based on granular-ball computing. A forward search algorithm is used to select feature sequences by defining the correlation between features and categories through dependence functions. Experiments demonstrate the proposed model's effectiveness and superiority over baseline methods.
Gravity-Bench-v1: A Benchmark on Gravitational Physics Discovery for Agents
Authors: Nolan Koblischke, Hyunseok Jang, Kristen Menou, Mohamad Ali-Dib
Date: 2025-01-30 00:00:00
Tasks: scientific discovery

Modern science emerged from reasoning over repeatedly-observed planetary motions. We present Gravity-Bench-v1, an environment-based benchmark that challenges AI agents on tasks that parallel this historical development. Gravity-Bench-v1 evaluates agents on the discovery of physics concealed within a dynamic environment, using rigorous gravitational dynamics simulations. Gravity-Bench includes out-of-distribution cases, i.e. with physics that deviates from the real world, to evaluate true scientific generalization capabilities. Agents must plan to collect data within an experimental budget and must perform a dynamic form of data analysis and reasoning to solve tasks efficiently. Our benchmark admits an open-ended space of solutions. Reference solutions for each task are provided to calibrate AI performance against human expertise. Technically at an upper-undergraduate level, our benchmark proves challenging to baseline AI agents. Gravity-Bench-v1 and planned extensions should help map out AI progress towards scientific discovery capabilities.
Efficient Transformer for High Resolution Image Motion Deblurring
Authors: Amanturdieva Akmaral, Muhammad Hamza Zafar
Date: 2025-01-30 00:00:00
Tasks: Deblurring, Image Deblurring

This paper presents a comprehensive study and improvement of the Restormer architecture for high-resolution image motion deblurring. We introduce architectural modifications that reduce model complexity by 18.4% while maintaining or improving performance through optimized attention mechanisms. Our enhanced training pipeline incorporates additional transformations including color jitter, Gaussian blur, and perspective transforms to improve model robustness as well as a new frequency loss term. Extensive experiments on the RealBlur-R, RealBlur-J, and Ultra-High-Definition Motion blurred (UHDM) datasets demonstrate the effectiveness of our approach. The improved architecture shows better convergence behavior and reduced training time while maintaining competitive performance across challenging scenarios. We also provide detailed ablation studies analyzing the impact of our modifications on model behavior and performance. Our results suggest that thoughtful architectural simplification combined with enhanced training strategies can yield more efficient yet equally capable models for motion deblurring tasks. Code and Data Available at: https://github.com/hamzafer/image-deblurring
A Learnable Multi-views Contrastive Framework with Reconstruction Discrepancy for Medical Time-Series
Authors: Yifan Wang, Hongfeng Ai, RuiQi Li, Maowei Jiang, Cheng Jiang, Chenzhong Li
Date: 2025-01-30 00:00:00
Tasks: Contrastive Learning, Diagnostic, Time Series

In medical time series disease diagnosis, two key challenges are identified.First, the high annotation cost of medical data leads to overfitting in models trained on label-limited, single-center datasets. To address this, we propose incorporating external data from related tasks and leveraging AE-GAN to extract prior knowledge,providing valuable references for downstream tasks. Second, many existing studies employ contrastive learning to derive more generalized medical sequence representations for diagnostic tasks, usually relying on manually designed diverse positive and negative sample pairs.However, these approaches are complex, lack generalizability, and fail to adaptively capture disease-specific features across different conditions.To overcome this, we introduce LMCF (Learnable Multi-views Contrastive Framework), a framework that integrates a multi-head attention mechanism and adaptively learns representations from different views through inter-view and intra-view contrastive learning strategies.Additionally, the pre-trained AE-GAN is used to reconstruct discrepancies in the target data as disease probabilities, which are then integrated into the contrastive learning process.Experiments on three target datasets demonstrate that our method consistently outperforms seven other baselines, highlighting its significant impact on healthcare applications such as the diagnosis of myocardial infarction, Alzheimer's disease, and Parkinson's disease.
MedXpertQA: Benchmarking Expert-Level Medical Reasoning and Understanding
Authors: Yuxin Zuo, Shang Qu, Yifei Li, Zhangren Chen, Xuekai Zhu, Ermo Hua, Kaiyan Zhang, Ning Ding, BoWen Zhou
Date: 2025-01-30 00:00:00
Tasks: Benchmarking, Decision Making, Image Captioning, MedQA

We introduce MedXpertQA, a highly challenging and comprehensive benchmark to evaluate expert-level medical knowledge and advanced reasoning. MedXpertQA includes 4,460 questions spanning 17 specialties and 11 body systems. It includes two subsets, Text for text evaluation and MM for multimodal evaluation. Notably, MM introduces expert-level exam questions with diverse images and rich clinical information, including patient records and examination results, setting it apart from traditional medical multimodal benchmarks with simple QA pairs generated from image captions. MedXpertQA applies rigorous filtering and augmentation to address the insufficient difficulty of existing benchmarks like MedQA, and incorporates specialty board questions to improve clinical relevance and comprehensiveness. We perform data synthesis to mitigate data leakage risk and conduct multiple rounds of expert reviews to ensure accuracy and reliability. We evaluate 16 leading models on MedXpertQA. Moreover, medicine is deeply connected to real-world decision-making, providing a rich and representative setting for assessing reasoning abilities beyond mathematics and code. To this end, we develop a reasoning-oriented subset to facilitate the assessment of o1-like models.
State Stream Transformer (SST) : Emergent Metacognitive Behaviours Through Latent State Persistence
Authors: Thea Aviss
Date: 2025-01-30 00:00:00
Tasks: 8k, ARC

We introduce the State Stream Transformer (SST), a novel LLM architecture that reveals emergent reasoning behaviours and capabilities latent in pretrained weights through addressing a fundamental limitation in traditional transformer models: the lack of latent computational continuity across autoregressive generations in the state space. SST introduces a sliding window latent state (FFN) cache with weighted decay that maintains and evolves persistent latent processes throughout autoregressive generations. Through controlled experiments comparing base and SST architectures using the same frozen weights, we demonstrate that this architectural modification alone enables enhanced reasoning capabilities which appear best explained by some form of potential higher-order processing, as evidenced by emergent metacognitive behaviours. These behaviours persist under controlled conditions designed to eliminate confounding factors such as stochastic variation or learned response patterns. Analysis of latent state distributions and processing dynamics provides evidence that it is solely the 'state stream' that is responsible for these phenomena. In quantitative evaluations, the SST achieves substantial performance improvements over the base model on two reasoning benchmarks, reaching 89.01\% accuracy on GSM-8K (0-shot) and 91.04\% on ARC Challenge (0-shot CoT). These findings indicate that persistent computation in the latent state space enables fundamentally different information processing and internal reasoning strategies, with implications for our understanding of artificial intelligence systems.
Transfer Learning of Surrogate Models: Integrating Domain Warping and Affine Transformations
Authors: Shuaiqun Pan, Diederick Vermetten, Manuel López-Ibáñez, Thomas Bäck, Hao Wang
Date: 2025-01-30 00:00:00
Tasks: Transfer Learning

Surrogate models provide efficient alternatives to computationally demanding real world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate models to new tasks. Previous studies have investigated the transfer of differentiable and non-differentiable surrogate models, typically assuming an affine transformation between the source and target functions. This paper extends previous research by addressing a broader range of transformations, including linear and nonlinear variations. Specifically, we consider the combination of an unknown input warping, such as one modeled by the beta cumulative distribution function, with an unspecified affine transformation. Our approach achieves transfer learning by employing a limited number of data points from the target task to optimize these transformations, minimizing empirical loss on the transfer dataset. We validate the proposed method on the widely used Black-Box Optimization Benchmark (BBOB) testbed and a real-world transfer learning task from the automobile industry. The results underscore the significant advantages of the approach, revealing that the transferred surrogate significantly outperforms both the original surrogate and the one built from scratch using the transfer dataset, particularly in data-scarce scenarios.
Unfaithful Probability Distributions in Binary Triple of Causality Directed Acyclic Graph
Authors: Jingwei Liu
Date: 2025-01-30 00:00:00
Tasks: Causal Discovery, Causal Inference

Faithfulness is the foundation of probability distribution and graph in causal discovery and causal inference. In this paper, several unfaithful probability distribution examples are constructed in three--vertices binary causality directed acyclic graph (DAG) structure, which are not faithful to causal DAGs described in J.M.,Robins,et al. Uniform consistency in causal inference. Biometrika (2003),90(3): 491--515. And the general unfaithful probability distribution with multiple independence and conditional independence in binary triple causal DAG is given.
CodeBrain: Impute Any Brain MRI via Instance-specific Scalar-quantized Codes
Authors: Yicheng Wu, Tao Song, Zhonghua Wu, ZongYuan Ge, Zhaolin Chen, Jianfei Cai
Date: 2025-01-30 00:00:00
Tasks: Imputation, Quantization

MRI imputation aims to synthesize the missing modality from one or more available ones, which is highly desirable since it reduces scanning costs and delivers comprehensive MRI information to enhance clinical diagnosis. In this paper, we propose a unified model, CodeBrain, designed to adapt to various brain MRI imputation scenarios. The core design lies in casting various inter-modality transformations as a full-modality code prediction task. To this end, CodeBrain is trained in two stages: Reconstruction and Code Prediction. First, in the Reconstruction stage, we reconstruct each MRI modality, which is mapped into a shared latent space followed by a scalar quantization. Since such quantization is lossy and the code is low dimensional, another MRI modality belonging to the same subject is randomly selected to generate common features to supplement the code and boost the target reconstruction. In the second stage, we train another encoder by a customized grading loss to predict the full-modality codes from randomly masked MRI samples, supervised by the corresponding quantized codes generated from the first stage. In this way, the inter-modality transformation is achieved by mapping the instance-specific codes in a finite scalar space. We evaluated the proposed CodeBrain model on two public brain MRI datasets (i.e., IXI and BraTS 2023). Extensive experiments demonstrate that our CodeBrain model achieves superior imputation performance compared to four existing methods, establishing a new state of the art for unified brain MRI imputation. Codes will be released.
Leveraging LLM Agents for Automated Optimization Modeling for SASP Problems: A Graph-RAG based Approach
Authors: Tianpeng Pan, Wenqiang Pu, Licheng Zhao, Rui Zhou
Date: 2025-01-30 00:00:00
Tasks: Prompt Engineering, RAG, Retrieval-augmented Generation

Automated optimization modeling (AOM) has evoked considerable interest with the rapid evolution of large language models (LLMs). Existing approaches predominantly rely on prompt engineering, utilizing meticulously designed expert response chains or structured guidance. However, prompt-based techniques have failed to perform well in the sensor array signal processing (SASP) area due the lack of specific domain knowledge. To address this issue, we propose an automated modeling approach based on retrieval-augmented generation (RAG) technique, which consists of two principal components: a multi-agent (MA) structure and a graph-based RAG (Graph-RAG) process. The MA structure is tailored for the architectural AOM process, with each agent being designed based on principles of human modeling procedure. The Graph-RAG process serves to match user query with specific SASP modeling knowledge, thereby enhancing the modeling result. Results on ten classical signal processing problems demonstrate that the proposed approach (termed as MAG-RAG) outperforms several AOM benchmarks.
Efficient Neural Theorem Proving via Fine-grained Proof Structure Analysis
Authors: Haoxiong Liu, Jiacheng Sun, Zhenguo Li, Andrew C Yao
Date: 2025-01-30 00:00:00
Tasks: Automated Theorem Proving, Math

The synergy between deep learning models and traditional automation tools plays a pivotal role in developing robust neural theorem provers (NTPs). However, for proof synthesis with LLMs, previous work applies automation tools either only when the model explicitly calls the method, or only at a single granularity level, failing to fully exploit the power of built-in tactics and off-the-shelf automated theorem provers. In this work, we propose ProofAug, a novel theorem proving method that enjoys superior sample efficiency through equipping proof-generation LLMs with automation methods in different granularities via fine-grained structure analysis of model-generated proof proposals. Furthermore, ProofAug serves as a versatile plug-and-play module that seamlessly integrates with any tree-search algorithm, enabling our construction of an efficient recursive proving (ERP) module to further enhance performance. The superiority of our method is validated on the miniF2F-test benchmark using the open-source deepseek-math-7b-base model and the Isabelle proof assistant. Notably, by additionally employing a mixed prompting strategy, we achieve a cumulative pass rate of 66.0% after curation of the dataset (61.9% for the original version), setting a new SOTA across all proof languages with a total sample budget of only 2100. Our code is available at https://github.com/haoxiongliu/ProofAug.
Model-Free RL Agents Demonstrate System 1-Like Intentionality
Authors: Hal Ashton, Matija Franklin
Date: 2025-01-30 00:00:00
Tasks: Jurisprudence, Reinforcement Learning (RL)

This paper argues that model-free reinforcement learning (RL) agents, while lacking explicit planning mechanisms, exhibit behaviours that can be analogised to System 1 ("thinking fast") processes in human cognition. Unlike model-based RL agents, which operate akin to System 2 ("thinking slow") reasoning by leveraging internal representations for planning, model-free agents react to environmental stimuli without anticipatory modelling. We propose a novel framework linking the dichotomy of System 1 and System 2 to the distinction between model-free and model-based RL. This framing challenges the prevailing assumption that intentionality and purposeful behaviour require planning, suggesting instead that intentionality can manifest in the structured, reactive behaviours of model-free agents. By drawing on interdisciplinary insights from cognitive psychology, legal theory, and experimental jurisprudence, we explore the implications of this perspective for attributing responsibility and ensuring AI safety. These insights advocate for a broader, contextually informed interpretation of intentionality in RL systems, with implications for their ethical deployment and regulation.
Extending the design space of ontologization practices: Using bCLEARer as an example
Authors: Chris Partridge, Andrew Mitchell, Sergio de Cesare, John Beverley
Date: 2025-01-30 00:00:00

Our aim in this paper is to outline how the design space for the ontologization process is richer than current practice would suggest. We point out that engineering processes as well as products need to be designed - and identify some components of the design. We investigate the possibility of designing a range of radically new practices, providing examples of the new practices from our work over the last three decades with an outlier methodology, bCLEARer. We also suggest that setting an evolutionary context for ontologization helps one to better understand the nature of these new practices and provides the conceptual scaffolding that shapes fertile processes. Where this evolutionary perspective positions digitalization (the evolutionary emergence of computing technologies) as the latest step in a long evolutionary trail of information transitions. This reframes ontologization as a strategic tool for leveraging the emerging opportunities offered by digitalization.
A Comprehensive Analysis on Machine Learning based Methods for Lung Cancer Level Classification
Authors: Shayli Farshchiha, Salman Asoudeh, Maryam Shavali Kuhshuri, Mehrshad Eisaeid, Mohamadreza Azadie, Saba Hesaraki
Date: 2025-01-30 00:00:00
Tasks: regression

Lung cancer is a major issue in worldwide public health, requiring early diagnosis using stable techniques. This work begins a thorough investigation of the use of machine learning (ML) methods for precise classification of lung cancer stages. A cautious analysis is performed to overcome overfitting issues in model performance, taking into account minimum child weight and learning rate. A set of machine learning (ML) models including XGBoost (XGB), LGBM, Adaboost, Logistic Regression (LR), Decision Tree (DT), Random Forest (RF), CatBoost, and k-Nearest Neighbor (k-NN) are run methodically and contrasted. Furthermore, the correlation between features and targets is examined using the deep neural network (DNN) model and thus their capability in detecting complex patternsis established. It is argued that several ML models can be capable of classifying lung cancer stages with great accuracy. In spite of the complexity of DNN architectures, traditional ML models like XGBoost, LGBM, and Logistic Regression excel with superior performance. The models perform better than the others in lung cancer prediction on the complete set of comparative metrics like accuracy, precision, recall, and F-1 score
CueTip: An Interactive and Explainable Physics-aware Pool Assistant
Authors: Sean Memery, Kevin Denamganai, Jiaxin Zhang, Zehai Tu, Yiwen Guo, Kartic Subr
Date: 2025-01-30 00:00:00

We present an interactive and explainable automated coaching assistant called CueTip for a variant of pool/billiards. CueTip's novelty lies in its combination of three features: a natural-language interface, an ability to perform contextual, physics-aware reasoning, and that its explanations are rooted in a set of predetermined guidelines developed by domain experts. We instrument a physics simulator so that it generates event traces in natural language alongside traditional state traces. Event traces lend themselves to interpretation by language models, which serve as the interface to our assistant. We design and train a neural adaptor that decouples tactical choices made by CueTip from its interactivity and explainability allowing it to be reconfigured to mimic any pool playing agent. Our experiments show that CueTip enables contextual query-based assistance and explanations while maintaining the strength of the agent in terms of win rate (improving it in some situations). The explanations generated by CueTip are physically-aware and grounded in the expert rules and are therefore more reliable.
Mining for Species, Locations, Habitats, and Ecosystems from Scientific Papers in Invasion Biology: A Large-Scale Exploratory Study with Large Language Models
Authors: Jennifer D'Souza, Zachary Laubach, Tarek Al Mustafa, Sina Zarrieß, Robert Frühstückl, Phyllis Illari
Date: 2025-01-30 00:00:00

This paper presents an exploratory study that harnesses the capabilities of large language models (LLMs) to mine key ecological entities from invasion biology literature. Specifically, we focus on extracting species names, their locations, associated habitats, and ecosystems, information that is critical for understanding species spread, predicting future invasions, and informing conservation efforts. Traditional text mining approaches often struggle with the complexity of ecological terminology and the subtle linguistic patterns found in these texts. By applying general-purpose LLMs without domain-specific fine-tuning, we uncover both the promise and limitations of using these models for ecological entity extraction. In doing so, this study lays the groundwork for more advanced, automated knowledge extraction tools that can aid researchers and practitioners in understanding and managing biological invasions.