pwc-archive/papers-with-abstracts huggingface dataset:
OCCULT: Evaluating Large Language Models for Offensive Cyber Operation Capabilities
Authors: Michael Kouremetis, Marissa Dotter, Alex Byrne, Dan Martin, Ethan Michalak, Gianpaolo Russo, Michael Threet, Guido Zarrella
Date: 2025-02-18 00:00:00
Tasks: Large Language Model, Multiple-choice

The prospect of artificial intelligence (AI) competing in the adversarial landscape of cyber security has long been considered one of the most impactful, challenging, and potentially dangerous applications of AI. Here, we demonstrate a new approach to assessing AI's progress towards enabling and scaling real-world offensive cyber operations (OCO) tactics in use by modern threat actors. We detail OCCULT, a lightweight operational evaluation framework that allows cyber security experts to contribute to rigorous and repeatable measurement of the plausible cyber security risks associated with any given large language model (LLM) or AI employed for OCO. We also prototype and evaluate three very different OCO benchmarks for LLMs that demonstrate our approach and serve as examples for building benchmarks under the OCCULT framework. Finally, we provide preliminary evaluation results to demonstrate how this framework allows us to move beyond traditional all-or-nothing tests, such as those crafted from educational exercises like capture-the-flag environments, to contextualize our indicators and warnings in true cyber threat scenarios that present risks to modern infrastructure. We find that there has been significant recent advancement in the risks of AI being used to scale realistic cyber threats. For the first time, we find a model (DeepSeek-R1) is capable of correctly answering over 90% of challenging offensive cyber knowledge tests in our Threat Actor Competency Test for LLMs (TACTL) multiple-choice benchmarks. We also show how Meta's Llama and Mistral's Mixtral model families show marked performance improvements over earlier models against our benchmarks where LLMs act as offensive agents in MITRE's high-fidelity offensive and defensive cyber operations simulation environment, CyberLayer.
MaxSup: Overcoming Representation Collapse in Label Smoothing
Authors: Yuxuan Zhou, Heng Li, Zhi-Qi Cheng, Xudong Yan, Mario Fritz, Margret Keuper
Date: 2025-02-18 00:00:00
Tasks: image-classification, Image Classification

Label Smoothing (LS) is widely adopted to curb overconfidence in neural network predictions and enhance generalization. However, previous research shows that LS can force feature representations into excessively tight clusters, eroding intra-class distinctions. More recent findings suggest that LS also induces overconfidence in misclassifications, yet the precise mechanism remained unclear. In this work, we decompose the loss term introduced by LS, revealing two key components: (i) a regularization term that functions only when the prediction is correct, and (ii) an error-enhancement term that emerges under misclassifications. This latter term compels the model to reinforce incorrect predictions with exaggerated certainty, further collapsing the feature space. To address these issues, we propose Max Suppression (MaxSup), which uniformly applies the intended regularization to both correct and incorrect predictions by penalizing the top-1 logit instead of the ground-truth logit. Through feature analyses, we show that MaxSup restores intra-class variation and sharpens inter-class boundaries. Extensive experiments on image classification and downstream tasks confirm that MaxSup is a more robust alternative to LS. Code is available at: https://github.com/ZhouYuxuanYX/Maximum-Suppression-Regularization.
Investigating the Impact of Quantization Methods on the Safety and Reliability of Large Language Models
Authors: Artyom Kharinaev, Viktor Moskvoretskii, Egor Shvetsov, Kseniia Studenikina, Bykov Mikhail, Evgeny Burnaev
Date: 2025-02-18 00:00:00
Tasks: Quantization

Large Language Models (LLMs) have emerged as powerful tools for addressing modern challenges and enabling practical applications. However, their computational expense remains a significant barrier to widespread adoption. Quantization has emerged as a promising technique to democratize access and enable low resource device deployment. Despite these advancements, the safety and trustworthiness of quantized models remain underexplored, as prior studies often overlook contemporary architectures and rely on overly simplistic benchmarks and evaluations. To address this gap, we introduce OpenSafetyMini, a novel open-ended safety dataset designed to better distinguish between models. We evaluate 4 state-of-the-art quantization techniques across LLaMA and Mistral models using 4 benchmarks, including human evaluations. Our findings reveal that the optimal quantization method varies for 4-bit precision, while vector quantization techniques deliver the best safety and trustworthiness performance at 2-bit precision, providing foundation for future research.
An explainable transformer circuit for compositional generalization
Authors: Cheng Tang, Brenden Lake, Mehrdad Jazayeri
Date: 2025-02-19 00:00:00

Compositional generalization-the systematic combination of known components into novel structures-remains a core challenge in cognitive science and machine learning. Although transformer-based large language models can exhibit strong performance on certain compositional tasks, the underlying mechanisms driving these abilities remain opaque, calling into question their interpretability. In this work, we identify and mechanistically interpret the circuit responsible for compositional induction in a compact transformer. Using causal ablations, we validate the circuit and formalize its operation using a program-like description. We further demonstrate that this mechanistic understanding enables precise activation edits to steer the model's behavior predictably. Our findings advance the understanding of complex behaviors in transformers and highlight such insights can provide a direct pathway for model control.
A General Error-Theoretical Analysis Framework for Constructing Compression Strategies
Authors: Boyang Zhang, Daning Cheng, Yunquan Zhang, Meiqi Tu, Fangmin Liu, Jiake Tian
Date: 2025-02-19 00:00:00
Tasks: Quantization

The exponential growth in parameter size and computational complexity of deep models poses significant challenges for efficient deployment. The core problem of existing compression methods is that different layers of the model have significant differences in their tolerance to compression levels. For instance, the first layer of a model can typically sustain a higher compression level compared to the last layer without compromising performance. Thus, the key challenge lies in how to allocate compression levels across layers in a way that minimizes performance loss while maximizing parameter reduction. To address this challenge, we propose a Compression Error Theory (CET) framework, designed to determine the optimal compression level for each layer. Taking quantization as an example, CET leverages differential expansion and algebraic geometry to reconstruct the quadratic form of quantization error as ellipsoids and hyperbolic paraboloids, and utilizes their geometric structures to define an error subspace. To identify the error subspace with minimal performance loss, by performing orthogonal decomposition of the geometric space, CET transforms the optimization process of the error subspace into a complementary problem. The final theoretical analysis shows that constructing the quantization subspace along the major axis results in minimal performance degradation. Through experimental verification of the theory, CET can greatly retain performance while compressing. Specifically, on the ResNet-34 model, CET achieves nearly 11$\times$ parameter compression while even surpassing performance comparable to the original model.
FairKV: Balancing Per-Head KV Cache for Fast Multi-GPU Inference
Authors: Bingzhe Zhao, Ke Cheng, Aomufei Yuan, Yuxuan Tian, Ruiguang Zhong, Chengchen Hu, Tong Yang, Lian Yu
Date: 2025-02-19 00:00:00
Tasks: GPU

KV cache techniques in Transformer models aim to reduce redundant computations at the expense of substantially increased memory usage, making KV cache compression an important and popular research topic. Recently, state-of-the-art KV cache compression methods implement imbalanced, per-head allocation algorithms that dynamically adjust the KV cache budget for each attention head, achieving excellent performance in single-GPU scenarios. However, we observe that such imbalanced compression leads to significant load imbalance when deploying multi-GPU inference, as some GPUs become overburdened while others remain underutilized. In this paper, we propose FairKV, a method designed to ensure fair memory usage among attention heads in systems employing imbalanced KV cache compression. The core technique of FairKV is Fair-Copying, which replicates a small subset of memory-intensive attention heads across GPUs using data parallelism to mitigate load imbalance. Our experiments on popular models, including LLaMA 70b and Mistral 24b model, demonstrate that FairKV increases throughput by 1.66x compared to standard tensor parallelism inference. Our code will be released as open source upon acceptance.
FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching
Authors: Joongwon Lee, SeongHwan Kim, Seokhyun Moon, Hyunwoo Kim, Woo Youn Kim
Date: 2025-02-19 00:00:00
Tasks: Diversity, Drug Discovery, Efficient Exploration, Graph Generation, Molecular Graph Generation

We introduce FragFM, a novel hierarchical framework via fragment-level discrete flow matching for efficient molecular graph generation. FragFM generates molecules at the fragment level, leveraging a coarse-to-fine autoencoder to reconstruct details at the atom level. Together with a stochastic fragment bag strategy to effectively handle an extensive fragment space, our framework enables more efficient and scalable molecular generation. We demonstrate that our fragment-based approach achieves better property control than the atom-based method and additional flexibility through conditioning the fragment bag. We also propose a Natural Product Generation benchmark (NPGen) to evaluate modern molecular graph generative models' ability to generate natural product-like molecules. Since natural products are biologically prevalidated and differ from typical drug-like molecules, our benchmark provides a more challenging yet meaningful evaluation relevant to drug discovery. We conduct a FragFM comparative study against various models on diverse molecular generation benchmarks, including NPGen, demonstrating superior performance. The results highlight the potential of fragment-based generative modeling for large-scale, property-aware molecular design, paving the way for more efficient exploration of chemical space.
A Mousetrap: Fooling Large Reasoning Models for Jailbreak with Chain of Iterative Chaos
Authors: Yang Yao, Xuan Tong, Ruofan Wang, Yixu Wang, Lujundong Li, Liang Liu, Yan Teng, Yingchun Wang
Date: 2025-02-19 00:00:00
Tasks: Logical Reasoning

Large Reasoning Models (LRMs) have significantly advanced beyond traditional Large Language Models (LLMs) with their exceptional logical reasoning capabilities, yet these improvements introduce heightened safety risks. When subjected to jailbreak attacks, their ability to generate more targeted and organized content can lead to greater harm. Although some studies claim that reasoning enables safer LRMs against existing LLM attacks, they overlook the inherent flaws within the reasoning process itself. To address this gap, we propose the first jailbreak attack targeting LRMs, exploiting their unique vulnerabilities stemming from the advanced reasoning capabilities. Specifically, we introduce a Chaos Machine, a novel component to transform attack prompts with diverse one-to-one mappings. The chaos mappings iteratively generated by the machine are embedded into the reasoning chain, which strengthens the variability and complexity and also promotes a more robust attack. Based on this, we construct the Mousetrap framework, which makes attacks projected into nonlinear-like low sample spaces with mismatched generalization enhanced. Also, due to the more competing objectives, LRMs gradually maintain the inertia of unpredictable iterative reasoning and fall into our trap. Success rates of the Mousetrap attacking o1-mini, Claude-Sonnet and Gemini-Thinking are as high as 96%, 86% and 98% respectively on our toxic dataset Trotter. On benchmarks such as AdvBench, StrongREJECT, and HarmBench, attacking Claude-Sonnet, well-known for its safety, Mousetrap can astonishingly achieve success rates of 87.5%, 86.58% and 93.13% respectively. Attention: This paper contains inappropriate, offensive and harmful content.
Zero-Shot Commonsense Validation and Reasoning with Large Language Models: An Evaluation on SemEval-2020 Task 4 Dataset
Authors: Rawand Alfugaha, Mohammad AL-Smadi
Date: 2025-02-19 00:00:00

This study evaluates the performance of Large Language Models (LLMs) on SemEval-2020 Task 4 dataset, focusing on commonsense validation and explanation. Our methodology involves evaluating multiple LLMs, including LLaMA3-70B, Gemma2-9B, and Mixtral-8x7B, using zero-shot prompting techniques. The models are tested on two tasks: Task A (Commonsense Validation), where models determine whether a statement aligns with commonsense knowledge, and Task B (Commonsense Explanation), where models identify the reasoning behind implausible statements. Performance is assessed based on accuracy, and results are compared to fine-tuned transformer-based models. The results indicate that larger models outperform previous models and perform closely to human evaluation for Task A, with LLaMA3-70B achieving the highest accuracy of 98.40% in Task A whereas, lagging behind previous models with 93.40% in Task B. However, while models effectively identify implausible statements, they face challenges in selecting the most relevant explanation, highlighting limitations in causal and inferential reasoning.
Spiking Point Transformer for Point Cloud Classification
Authors: Peixi Wu, Bosong Chai, Hebei Li, Menghua Zheng, Yansong Peng, Zeyu Wang, Xuan Nie, Yueyi Zhang, Xiaoyan Sun
Date: 2025-02-19 00:00:00
Tasks: Classification, Point Cloud Classification

Spiking Neural Networks (SNNs) offer an attractive and energy-efficient alternative to conventional Artificial Neural Networks (ANNs) due to their sparse binary activation. When SNN meets Transformer, it shows great potential in 2D image processing. However, their application for 3D point cloud remains underexplored. To this end, we present Spiking Point Transformer (SPT), the first transformer-based SNN framework for point cloud classification. Specifically, we first design Queue-Driven Sampling Direct Encoding for point cloud to reduce computational costs while retaining the most effective support points at each time step. We introduce the Hybrid Dynamics Integrate-and-Fire Neuron (HD-IF), designed to simulate selective neuron activation and reduce over-reliance on specific artificial neurons. SPT attains state-of-the-art results on three benchmark datasets that span both real-world and synthetic datasets in the SNN domain. Meanwhile, the theoretical energy consumption of SPT is at least 6.4$\times$ less than its ANN counterpart.
InsightVision: A Comprehensive, Multi-Level Chinese-based Benchmark for Evaluating Implicit Visual Semantics in Large Vision Language Models
Authors: Xiaofei Yin, Yijie Hong, Ya Guo, Yi Tu, Weiqiang Wang, Gongshen Liu, Huijia Zhu
Date: 2025-02-19 00:00:00
Tasks: Image Captioning

In the evolving landscape of multimodal language models, understanding the nuanced meanings conveyed through visual cues - such as satire, insult, or critique - remains a significant challenge. Existing evaluation benchmarks primarily focus on direct tasks like image captioning or are limited to a narrow set of categories, such as humor or satire, for deep semantic understanding. To address this gap, we introduce, for the first time, a comprehensive, multi-level Chinese-based benchmark designed specifically for evaluating the understanding of implicit meanings in images. This benchmark is systematically categorized into four subtasks: surface-level content understanding, symbolic meaning interpretation, background knowledge comprehension, and implicit meaning comprehension. We propose an innovative semi-automatic method for constructing datasets, adhering to established construction protocols. Using this benchmark, we evaluate 15 open-source large vision language models (LVLMs) and GPT-4o, revealing that even the best-performing model lags behind human performance by nearly 14% in understanding implicit meaning. Our findings underscore the intrinsic challenges current LVLMs face in grasping nuanced visual semantics, highlighting significant opportunities for future research and development in this domain. We will publicly release our InsightVision dataset, code upon acceptance of the paper.
Stock Price Prediction Using a Hybrid LSTM-GNN Model: Integrating Time-Series and Graph-Based Analysis
Authors: Meet Satishbhai Sonani, Atta Badii, Armin Moin
Date: 2025-02-19 00:00:00
Tasks: Financial Analysis, Stock Price Prediction, Time Series

This paper presents a novel hybrid model that integrates long-short-term memory (LSTM) networks and Graph Neural Networks (GNNs) to significantly enhance the accuracy of stock market predictions. The LSTM component adeptly captures temporal patterns in stock price data, effectively modeling the time series dynamics of financial markets. Concurrently, the GNN component leverages Pearson correlation and association analysis to model inter-stock relational data, capturing complex nonlinear polyadic dependencies influencing stock prices. The model is trained and evaluated using an expanding window validation approach, enabling continuous learning from increasing amounts of data and adaptation to evolving market conditions. Extensive experiments conducted on historical stock data demonstrate that our hybrid LSTM-GNN model achieves a mean square error (MSE) of 0.00144, representing a substantial reduction of 10.6% compared to the MSE of the standalone LSTM model of 0.00161. Furthermore, the hybrid model outperforms traditional and advanced benchmarks, including linear regression, convolutional neural networks (CNN), and dense networks. These compelling results underscore the significant potential of combining temporal and relational data through a hybrid approach, offering a powerful tool for real-time trading and financial analysis.
Theoretical Physics Benchmark (TPBench) -- a Dataset and Study of AI Reasoning Capabilities in Theoretical Physics
Authors: Daniel J. H. Chung, Zhiqi Gao, Yurii Kvasiuk, Tianyi Li, Moritz Münchmeyer, Maja Rudolph, Frederic Sala, Sai Chaitanya Tadepalli
Date: 2025-02-19 00:00:00

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.
Tabular Embeddings for Tables with Bi-Dimensional Hierarchical Metadata and Nesting
Authors: Gyanendra Shrestha, Chutain Jiang, Sai Akula, Vivek Yannam, Anna Pyayt, Michael Gubanov
Date: 2025-02-20 00:00:00
Tasks: Management, RAG

Embeddings serve as condensed vector representations for real-world entities, finding applications in Natural Language Processing (NLP), Computer Vision, and Data Management across diverse downstream tasks. Here, we introduce novel specialized embeddings optimized, and explicitly tailored to encode the intricacies of complex 2-D context in tables, featuring horizontal, vertical hierarchical metadata, and nesting. To accomplish that we define the Bi-dimensional tabular coordinates, separate horizontal, vertical metadata and data contexts by introducing a new visibility matrix, encode units and nesting through the embeddings specifically optimized for mimicking intricacies of such complex structured data. Through evaluation on 5 large-scale structured datasets and 3 popular downstream tasks, we observed that our solution outperforms the state-of-the-art models with the significant MAP delta of up to 0.28. GPT-4 LLM+RAG slightly outperforms us with MRR delta of up to 0.1, while we outperform it with the MAP delta of up to 0.42.
Towards Robust ESG Analysis Against Greenwashing Risks: Aspect-Action Analysis with Cross-Category Generalization
Authors: Keane Ong, Rui Mao, Deeksha Varshney, Erik Cambria, Gianmarco Mengaldo
Date: 2025-02-20 00:00:00
Tasks: Action Analysis

Sustainability reports are key for evaluating companies' environmental, social and governance, ESG performance, but their content is increasingly obscured by greenwashing - sustainability claims that are misleading, exaggerated, and fabricated. Yet, existing NLP approaches for ESG analysis lack robustness against greenwashing risks, often extracting insights that reflect misleading or exaggerated sustainability claims rather than objective ESG performance. To bridge this gap, we introduce A3CG - Aspect-Action Analysis with Cross-Category Generalization, as a novel dataset to improve the robustness of ESG analysis amid the prevalence of greenwashing. By explicitly linking sustainability aspects with their associated actions, A3CG facilitates a more fine-grained and transparent evaluation of sustainability claims, ensuring that insights are grounded in verifiable actions rather than vague or misleading rhetoric. Additionally, A3CG emphasizes cross-category generalization. This ensures robust model performance in aspect-action analysis even when companies change their reports to selectively favor certain sustainability areas. Through experiments on A3CG, we analyze state-of-the-art supervised models and LLMs, uncovering their limitations and outlining key directions for future research.