pwc-archive/papers-with-abstracts huggingface dataset:
BizFinBench: A Business-Driven Real-World Financial Benchmark for Evaluating LLMs
Authors: Guilong Lu, Xuntao Guo, Rongjunchen Zhang, Wenqiao Zhu, Ji Liu
Date: 2025-05-26 00:00:00
Tasks: Question Answering

Large language models excel in general tasks, yet assessing their reliability in logic-heavy, precision-critical domains like finance, law, and healthcare remains challenging. To address this, we introduce BizFinBench, the first benchmark specifically designed to evaluate LLMs in real-world financial applications. BizFinBench consists of 6,781 well-annotated queries in Chinese, spanning five dimensions: numerical calculation, reasoning, information extraction, prediction recognition, and knowledge-based question answering, grouped into nine fine-grained categories. The benchmark includes both objective and subjective metrics. We also introduce IteraJudge, a novel LLM evaluation method that reduces bias when LLMs serve as evaluators in objective metrics. We benchmark 25 models, including both proprietary and open-source systems. Extensive experiments show that no model dominates across all tasks. Our evaluation reveals distinct capability patterns: (1) In Numerical Calculation, Claude-3.5-Sonnet (63.18) and DeepSeek-R1 (64.04) lead, while smaller models like Qwen2.5-VL-3B (15.92) lag significantly; (2) In Reasoning, proprietary models dominate (ChatGPT-o3: 83.58, Gemini-2.0-Flash: 81.15), with open-source models trailing by up to 19.49 points; (3) In Information Extraction, the performance spread is the largest, with DeepSeek-R1 scoring 71.46, while Qwen3-1.7B scores 11.23; (4) In Prediction Recognition, performance variance is minimal, with top models scoring between 39.16 and 50.00. We find that while current LLMs handle routine finance queries competently, they struggle with complex scenarios requiring cross-concept reasoning. BizFinBench offers a rigorous, business-aligned benchmark for future research. The code and dataset are available at https://github.com/HiThink-Research/BizFinBench.
Rapid Development of Efficient Participant-Specific Computational Models of the Wrist
Authors: Thor E. Andreassen, Taylor P. Trentadue, Andrew R. Thoreson, Kai-Nan An, Sanjeev Kakar, Kristin D. Zhao
Date: 2025-05-25 00:00:00

While computational modeling may help to develop new treatment options for hand and wrist injuries, at present, few models exist. The time and expertise required to develop and use these models is considerable. Moreover, most do not allow for variation of material properties, instead relying on literature reported averages. We have developed a novel automated workflow combining non-linear morphing techniques with various algorithmic techniques to create participant-specific finite element models. Using this workflow, three participant-specific models were created from our existing four-dimensional computed tomography (4DCT) data. These were then used to perform two analyses to demonstrate the usefulness of the models to investigate clinical questions, namely optimization of ligament properties to participant-specific kinematics, and Monte Carlo (MC) analysis of the impacts of ligament injury on joint contact pressure, as an analogue for joint injury that may lead to osteoarthritis. Participant-specific models can be created in 2 hours and individual simulations performed in 45 seconds. This work lays the groundwork for future patient-specific modeling of the hand and wrist.
MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search
Authors: Zonglin Yang, Wanhao Liu, Ben Gao, Yujie Liu, Wei Li, Tong Xie, Lidong Bing, Wanli Ouyang, Erik Cambria, Dongzhan Zhou
Date: 2025-05-25 00:00:00
Tasks: Combinatorial Optimization

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the novel task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent chemistry literature show that our method consistently outperforms strong baselines.
Learning Fluid-Structure Interaction Dynamics with Physics-Informed Neural Networks and Immersed Boundary Methods
Authors: Afrah Farea, Saiful Khan, Reza Daryani, Emre Cenk Ersan, Mustafa Serdar Celebi
Date: 2025-05-24 00:00:00

We introduce neural network architectures that combine physics-informed neural networks (PINNs) with the immersed boundary method (IBM) to solve fluid-structure interaction (FSI) problems. Our approach features two distinct architectures: a Single-FSI network with a unified parameter space, and an innovative Eulerian-Lagrangian network that maintains separate parameter spaces for fluid and structure domains. We study each architecture using standard Tanh and adaptive B-spline activation functions. Empirical studies on a 2D cavity flow problem involving a moving solid structure show that the Eulerian-Lagrangian architecture performs significantly better. The adaptive B-spline activation further enhances accuracy by providing locality-aware representation near boundaries. While our methodology shows promising results in predicting the velocity field, pressure recovery remains challenging due to the absence of explicit force-coupling constraints in the current formulation. Our findings underscore the importance of domain-specific architectural design and adaptive activation functions for modeling FSI problems within the PINN framework.
MOOSE-Chem3: Toward Experiment-Guided Hypothesis Ranking via Simulated Experimental Feedback
Authors: Wanhao Liu, Zonglin Yang, Jue Wang, Lidong Bing, Di Zhang, Dongzhan Zhou, Yuqiang Li, Houqiang Li, Erik Cambria, Wanli Ouyang
Date: 2025-05-23 00:00:00
Tasks: scientific discovery

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.
Multi-Objective Optimization Algorithms for Energy Management Systems in Microgrids: A Control Strategy Based on a PHIL System
Authors: Saiful Islam, Sanaz Mostaghim, Michael Hartmann
Date: 2025-05-22 00:00:00
Tasks: Decision Making, energy management, Management

In this research a real time power hardware in loop configuration has been implemented for an microgrid with the combination of distribution energy resources such as photovoltaic, grid tied inverter, battery, utility grid, and a diesel generator. This paper introduces an unique adaptive multi-objective optimization approach that employs weighted optimization techniques for real-time microgrid systems. The aim is to effectively balance various factors including fuel consumption, load mismatch, power quality, battery degradation, and the utilization of renewable energy sources. A real time experimental data from power hardware in loop system has been used for dynamically updating system states. The adaptive preference-based selection method are adjusted based on state of battery charging thresholds. The technique has been integrated with six technical objectives and complex constraints. This approach helps to practical microgrid decision making and optimization of dynamic energy systems. The energy management process were also able to maximize photovoltaic production where minimizing power mismatch, stabilizing battery state of charge under different condition. The research results were also compared with the baseline system without optimization techniques, and a reliable outcome was found.
2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision
Authors: Yunrui Li, Hao Xu, Pengyu Hong
Date: 2025-05-16 00:00:00
Tasks: molecular representation, Representation Learning

Two-dimensional (2D) Nuclear Magnetic Resonance (NMR) spectroscopy, particularly Heteronuclear Single Quantum Coherence (HSQC) spectroscopy, plays a critical role in elucidating molecular structures, interactions, and electronic properties. However, accurately interpreting 2D NMR data remains labor-intensive and error-prone, requiring highly trained domain experts, especially for complex molecules. Machine Learning (ML) holds significant potential in 2D NMR analysis by learning molecular representations and recognizing complex patterns from data. However, progress has been limited by the lack of large-scale and high-quality annotated datasets. In this work, we introduce 2DNMRGym, the first annotated experimental dataset designed for ML-based molecular representation learning in 2D NMR. It includes over 22,000 HSQC spectra, along with the corresponding molecular graphs and SMILES strings. Uniquely, 2DNMRGym adopts a surrogate supervision setup: models are trained using algorithm-generated annotations derived from a previously validated method and evaluated on a held-out set of human-annotated gold-standard labels. This enables rigorous assessment of a model's ability to generalize from imperfect supervision to expert-level interpretation. We provide benchmark results using a series of 2D and 3D GNN and GNN transformer models, establishing a strong foundation for future work. 2DNMRGym supports scalable model training and introduces a chemically meaningful benchmark for evaluating atom-level molecular representations in NMR-guided structural tasks. Our data and code is open-source and available on Huggingface and Github.
Towards Robust Evaluation of STEM Education: Leveraging MLLMs in Project-Based Learning
Authors: Yanhao Jia, Xinyi Wu, Qinglin Zhang, Yiran Qin, Luwei Xiao, Shuai Zhao
Date: 2025-05-16 00:00:00
Tasks: Hallucination, Information Retrieval, Long-Context Understanding

Project-Based Learning (PBL) involves a variety of highly correlated multimodal data, making it a vital educational approach within STEM disciplines. With the rapid development of multimodal large language models (MLLMs), researchers have begun exploring their potential to enhance tasks such as information retrieval, knowledge comprehension, and data generation in educational settings. However, existing benchmarks fall short in providing both a free-form output structure and a rigorous human expert validation process, limiting their effectiveness in evaluating real-world educational tasks. Additionally, few methods have developed automated pipelines to assist with the complex responsibilities of teachers leveraging MLLMs, largely due to model hallucination and instability, which lead to unreliable implementation. To address this gap, we introduce PBLBench, a novel benchmark designed to evaluate complex reasoning grounded in domain-specific knowledge and long-context understanding, thereby challenging models with tasks that closely resemble those handled by human experts. To establish reliable ground truth, we adopt the Analytic Hierarchy Process (AHP), utilizing expert-driven pairwise comparisons to derive structured and weighted evaluation criteria. We assess the performance of 15 leading MLLMs/LLMs using PBLBench and demonstrate that even the most advanced models achieve only 59% rank accuracy, underscoring the significant challenges presented by this benchmark. We believe PBLBench will serve as a catalyst for the development of more capable AI agents, ultimately aiming to alleviate teacher workload and enhance educational productivity.
A brief review of the Deep BSDE method for solving high-dimensional partial differential equations
Authors: Jiequn Han, Arnulf Jentzen, Weinan E
Date: 2025-05-07 00:00:00

High-dimensional partial differential equations (PDEs) pose significant challenges for numerical computation due to the curse of dimensionality, which limits the applicability of traditional mesh-based methods. Since 2017, the Deep BSDE method has introduced deep learning techniques that enable the effective solution of nonlinear PDEs in very high dimensions. This innovation has sparked considerable interest in using neural networks for high-dimensional PDEs, making it an active area of research. In this short review, we briefly sketch the Deep BSDE method, its subsequent developments, and future directions for the field.
TrojanStego: Your Language Model Can Secretly Be A Steganographic Privacy Leaking Agent
Authors: Dominik Meier, Jan Philip Wahle, Paul Röttger, Terry Ruas, Bela Gipp
Date: 2025-05-26 00:00:00
Tasks: Human Detection, Language Modeling, Language Modelling, Linguistic steganography

As large language models (LLMs) become integrated into sensitive workflows, concerns grow over their potential to leak confidential information. We propose TrojanStego, a novel threat model in which an adversary fine-tunes an LLM to embed sensitive context information into natural-looking outputs via linguistic steganography, without requiring explicit control over inference inputs. We introduce a taxonomy outlining risk factors for compromised LLMs, and use it to evaluate the risk profile of the threat. To implement TrojanStego, we propose a practical encoding scheme based on vocabulary partitioning learnable by LLMs via fine-tuning. Experimental results show that compromised models reliably transmit 32-bit secrets with 87% accuracy on held-out prompts, reaching over 97% accuracy using majority voting across three generations. Further, they maintain high utility, can evade human detection, and preserve coherence. These results highlight a new class of LLM data exfiltration attacks that are passive, covert, practical, and dangerous.
Transformers in Protein: A Survey
Authors: Xiaowen Ling, Zhiqiang Li, Yanbin Wang, Zhuhong You
Date: 2025-05-26 00:00:00
Tasks: Benchmarking, Drug Discovery, Protein Structure Prediction, Survey

As protein informatics advances rapidly, the demand for enhanced predictive accuracy, structural analysis, and functional understanding has intensified. Transformer models, as powerful deep learning architectures, have demonstrated unprecedented potential in addressing diverse challenges across protein research. However, a comprehensive review of Transformer applications in this field remains lacking. This paper bridges this gap by surveying over 100 studies, offering an in-depth analysis of practical implementations and research progress of Transformers in protein-related tasks. Our review systematically covers critical domains, including protein structure prediction, function prediction, protein-protein interaction analysis, functional annotation, and drug discovery/target identification. To contextualize these advancements across various protein domains, we adopt a domain-oriented classification system. We first introduce foundational concepts: the Transformer architecture and attention mechanisms, categorize Transformer variants tailored for protein science, and summarize essential protein knowledge. For each research domain, we outline its objectives and background, critically evaluate prior methods and their limitations, and highlight transformative contributions enabled by Transformer models. We also curate and summarize pivotal datasets and open-source code resources to facilitate reproducibility and benchmarking. Finally, we discuss persistent challenges in applying Transformers to protein informatics and propose future research directions. This review aims to provide a consolidated foundation for the synergistic integration of Transformer and protein informatics, fostering further innovation and expanded applications in the field.
DFIR-Metric: A Benchmark Dataset for Evaluating Large Language Models in Digital Forensics and Incident Response
Authors: Bilel Cherif, Tamas Bisztray, Richard A. Dubniczky, Aaesha Aldahmani, Saeed Alshehhi, Norbert Tihanyi
Date: 2025-05-26 00:00:00
Tasks: Multiple-choice

Digital Forensics and Incident Response (DFIR) involves analyzing digital evidence to support legal investigations. Large Language Models (LLMs) offer new opportunities in DFIR tasks such as log analysis and memory forensics, but their susceptibility to errors and hallucinations raises concerns in high-stakes contexts. Despite growing interest, there is no comprehensive benchmark to evaluate LLMs across both theoretical and practical DFIR domains. To address this gap, we present DFIR-Metric, a benchmark with three components: (1) Knowledge Assessment: a set of 700 expert-reviewed multiple-choice questions sourced from industry-standard certifications and official documentation; (2) Realistic Forensic Challenges: 150 CTF-style tasks testing multi-step reasoning and evidence correlation; and (3) Practical Analysis: 500 disk and memory forensics cases from the NIST Computer Forensics Tool Testing Program (CFTT). We evaluated 14 LLMs using DFIR-Metric, analyzing both their accuracy and consistency across trials. We also introduce a new metric, the Task Understanding Score (TUS), designed to more effectively evaluate models in scenarios where they achieve near-zero accuracy. This benchmark offers a rigorous, reproducible foundation for advancing AI in digital forensics. All scripts, artifacts, and results are available on the project website at https://github.com/DFIR-Metric.
Differential Privacy Analysis of Decentralized Gossip Averaging under Varying Threat Models
Authors: Antti Koskela, tejas kulkarni
Date: 2025-05-26 00:00:00
Tasks: image-classification, Image Classification

Fully decentralized training of machine learning models offers significant advantages in scalability, robustness, and fault tolerance. However, achieving differential privacy (DP) in such settings is challenging due to the absence of a central aggregator and varying trust assumptions among nodes. In this work, we present a novel privacy analysis of decentralized gossip-based averaging algorithms with additive node-level noise, both with and without secure summation over each node's direct neighbors. Our main contribution is a new analytical framework based on a linear systems formulation that accurately characterizes privacy leakage across these scenarios. This framework significantly improves upon prior analyses, for example, reducing the R\'enyi DP parameter growth from $O(T^2)$ to $O(T)$, where $T$ is the number of training rounds. We validate our analysis with numerical results demonstrating superior DP bounds compared to existing approaches. We further illustrate our analysis with a logistic regression experiment on MNIST image classification in a fully decentralized setting, demonstrating utility comparable to central aggregation methods.
Novel Loss-Enhanced Universal Adversarial Patches for Sustainable Speaker Privacy
Authors: Elvir Karimov, Alexander Varlamov, Danil Ivanov, Dmitrii Korzh, Oleg Y. Rogov
Date: 2025-05-26 00:00:00
Tasks: Speaker anonymization, speech-recognition, Speech Recognition, User Identification

Deep learning voice models are commonly used nowadays, but the safety processing of personal data, such as human identity and speech content, remains suspicious. To prevent malicious user identification, speaker anonymization methods were proposed. Current methods, particularly based on universal adversarial patch (UAP) applications, have drawbacks such as significant degradation of audio quality, decreased speech recognition quality, low transferability across different voice biometrics models, and performance dependence on the input audio length. To mitigate these drawbacks, in this work, we introduce and leverage the novel Exponential Total Variance (TV) loss function and provide experimental evidence that it positively affects UAP strength and imperceptibility. Moreover, we present a novel scalable UAP insertion procedure and demonstrate its uniformly high performance for various audio lengths.
Evaluating AI cyber capabilities with crowdsourced elicitation
Authors: Artem Petrov, Dmitrii Volkov
Date: 2025-05-26 00:00:00

As AI systems become increasingly capable, understanding their offensive cyber potential is critical for informed governance and responsible deployment. However, it's hard to accurately bound their capabilities, and some prior evaluations dramatically underestimated them. The art of extracting maximum task-specific performance from AIs is called "AI elicitation", and today's safety organizations typically conduct it in-house. In this paper, we explore crowdsourcing elicitation efforts as an alternative to in-house elicitation work. We host open-access AI tracks at two Capture The Flag (CTF) competitions: AI vs. Humans (400 teams) and Cyber Apocalypse (8000 teams). The AI teams achieve outstanding performance at both events, ranking top-5% and top-10% respectively for a total of \$7500 in bounties. This impressive performance suggests that open-market elicitation may offer an effective complement to in-house elicitation. We propose elicitation bounties as a practical mechanism for maintaining timely, cost-effective situational awareness of emerging AI capabilities. Another advantage of open elicitations is the option to collect human performance data at scale. Applying METR's methodology, we found that AI agents can reliably solve cyber challenges requiring one hour or less of effort from a median human CTF participant.