pwc-archive/papers-with-abstracts huggingface dataset:
Physics-informed active learning with simultaneous weak-form latent space dynamics identification
Authors: Xiaolong He, April Tran, David M. Bortz, Youngsoo Choi
Date: 2024-06-29 00:00:00
Tasks: Active Learning, Form

The parametric greedy latent space dynamics identification (gLaSDI) framework has demonstrated promising potential for accurate and efficient modeling of high-dimensional nonlinear physical systems. However, it remains challenging to handle noisy data. To enhance robustness against noise, we incorporate the weak-form estimation of nonlinear dynamics (WENDy) into gLaSDI. In the proposed weak-form gLaSDI (WgLaSDI) framework, an autoencoder and WENDy are trained simultaneously to discover intrinsic nonlinear latent-space dynamics of high-dimensional data. Compared to the standard sparse identification of nonlinear dynamics (SINDy) employed in gLaSDI, WENDy enables variance reduction and robust latent space discovery, therefore leading to more accurate and efficient reduced-order modeling. Furthermore, the greedy physics-informed active learning in WgLaSDI enables adaptive sampling of optimal training data on the fly for enhanced modeling accuracy. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including viscous and inviscid Burgers' equations, time-dependent radial advection, and the Vlasov equation for plasma physics. With data that contains 5-10% Gaussian white noise, WgLaSDI outperforms gLaSDI by orders of magnitude, achieving 1-7% relative errors. Compared with the high-fidelity models, WgLaSDI achieves 121 to 1,779x speed-up.
ModeConv: A Novel Convolution for Distinguishing Anomalous and Normal Structural Behavior
Authors: Melanie Schaller, Daniel Schlör, Andreas Hotho
Date: 2024-06-28 00:00:00
Tasks: Anomaly Detection, Computational Efficiency

External influences such as traffic and environmental factors induce vibrations in structures, leading to material degradation over time. These vibrations result in cracks due to the material's lack of plasticity compromising structural integrity. Detecting such damage requires the installation of vibration sensors to capture the internal dynamics. However, distinguishing relevant eigenmodes from external noise necessitates the use of Deep Learning models. The detection of changes in eigenmodes can be used to anticipate these shifts in material properties and to discern between normal and anomalous structural behavior. Eigenmodes, representing characteristic vibration patterns, provide insights into structural dynamics and deviations from expected states. Thus, we propose ModeConv to automatically capture and analyze changes in eigenmodes, facilitating effective anomaly detection in structures and material properties. In the conducted experiments, ModeConv demonstrates computational efficiency improvements, resulting in reduced runtime for model calculations. The novel ModeConv neural network layer is tailored for temporal graph neural networks, in which every node represents one sensor. ModeConv employs a singular value decomposition based convolutional filter design for complex numbers and leverages modal transformation in lieu of Fourier or Laplace transformations in spectral graph convolutions. We include a mathematical complexity analysis illustrating the runtime reduction.
Anvil: An integration of artificial intelligence, sampling techniques, and a combined CAD-CFD tool
Authors: Harsh Vardhan, Umesh Timalsina, Michael Sandborn, David Hyde, Peter Volgyesi, Janos Sztipanovits
Date: 2024-06-24 00:00:00
Tasks: Bayesian Optimization

In this work, we introduce an open-source integrated CAD-CFD tool, Anvil, which combines FreeCAD for CAD modeling and OpenFOAM for CFD analysis, along with an AI-based optimization method (Bayesian optimization) and other sampling algorithms. Anvil serves as a scientific machine learning tool for shape optimization in three modes: data generation, CFD evaluation, and shape optimization. In data generation mode, it automatically runs CFD evaluations and generates data for training a surrogate model. In optimization mode, it searches for the optimal design under given requirements and optimization metrics. In CFD mode, a single CAD file can be evaluated with a single OpenFOAM run. To use Anvil, experimenters provide a JSON configuration file and a parametric CAD seed design. Anvil can be used to study solid-fluid dynamics for any subsonic flow conditions and has been demonstrated in various simulation and optimization use cases. The open-source code for the tool, installation process, artifacts (such as CAD seed designs and example STL models), experimentation results, and detailed documentation can be found at \url{https://github.com/symbench/Anvil}.
A MgNO Method for Multiphase Flow in Porous Media
Authors: Xinliang Liu, Xia Yang, Chen-Song Zhang, Lian Zhang, Li Zhao
Date: 2024-06-16 00:00:00

This research investigates the application of Multigrid Neural Operator (MgNO), a neural operator architecture inspired by multigrid methods, in the simulation for multiphase flow within porous media. The architecture is adjusted to manage a variety of crucial factors, such as permeability and porosity heterogeneity. The study extendes MgNO to time-dependent porous media flow problems and validate its accuracy in predicting essential aspects of multiphase flows. Furthermore, the research provides a detailed comparison between MgNO and Fourier Neural Opeartor (FNO), which is one of the most popular neural operator methods, on their performance regarding prediction error accumulation over time. This aspect provides valuable insights into the models' long-term predictive stability and reliability. The study demonstrates MgNO's capability to effectively simulate multiphase flow problems, offering considerable time savings compared to traditional simulation methods, marking an advancement in integrating data-driven methodologies in geoscience applications.
Data-driven Power Flow Linearization: Theory
Authors: Mengshuo Jia, Gabriela Hug, Ning Zhang, Zhaojian Wang, Yi Wang, Chongqing Kang
Date: 2024-06-10 00:00:00
Tasks: Computational Efficiency

This two-part tutorial dives into the field of data-driven power flow linearization (DPFL), a domain gaining increased attention. DPFL stands out for its higher approximation accuracy, wide adaptability, and better ability to implicitly incorporate the latest system attributes. This renders DPFL a potentially superior option for managing the significant fluctuations from renewable energy sources, a step towards realizing a more sustainable energy future, by translating the higher model accuracy into increased economic efficiency and less energy losses. To conduct a deep and rigorous reexamination, this tutorial first classifies existing DPFL methods into DPFL training algorithms and supportive techniques. Their mathematical models, analytical solutions, capabilities, limitations, and generalizability are systematically examined, discussed, and summarized. In addition, this tutorial reviews existing DPFL experiments, examining the settings of test systems, the fidelity of datasets, and the comparison made among a limited number of DPFL methods. Further, this tutorial implements extensive numerical comparisons of all existing DPFL methods (40 methods in total) and four classic physics-driven approaches, focusing on their generalizability, applicability, accuracy, and computational efficiency. Through these simulationmethodss, this tutorial aims to reveal the actual performance of all the methods (including the performances exposed to data noise or outliers), guiding the selection of appropriate linearization methods. Furthermore, this tutorial discusses future directions based on the theoretical and numerical insights gained. As the first part, this paper reexamines DPFL theories, covering all the training algorithms and supportive techniques. Capabilities, limitations, and aspects of generalizability, which were previously unmentioned in the literature, have been identified.
Image-to-Text Logic Jailbreak: Your Imagination can Help You Do Anything
Authors: Xiaotian Zou, Ke Li, Yongkang Chen
Date: 2024-07-01 00:00:00
Tasks: Image to text, Language Modeling, Language Modelling

Large Visual Language Model\textbfs (VLMs) such as GPT-4V have achieved remarkable success in generating comprehensive and nuanced responses. Researchers have proposed various benchmarks for evaluating the capabilities of VLMs. With the integration of visual and text inputs in VLMs, new security issues emerge, as malicious attackers can exploit multiple modalities to achieve their objectives. This has led to increasing attention on the vulnerabilities of VLMs to jailbreak. Most existing research focuses on generating adversarial images or nonsensical image to jailbreak these models. However, no researchers evaluate whether logic understanding capabilities of VLMs in flowchart can influence jailbreak. Therefore, to fill this gap, this paper first introduces a novel dataset Flow-JD specifically designed to evaluate the logic-based flowchart jailbreak capabilities of VLMs. We conduct an extensive evaluation on GPT-4o, GPT-4V, other 5 SOTA open source VLMs and the jailbreak rate is up to 92.8%. Our research reveals significant vulnerabilities in current VLMs concerning image-to-text jailbreak and these findings underscore the the urgency for the development of robust and effective future defenses.
Actionable Cyber Threat Intelligence using Knowledge Graphs and Large Language Models
Authors: Romy Fieblinger, Md Tanvirul Alam, Nidhi Rastogi
Date: 2024-06-30 00:00:00
Tasks: Knowledge Graphs, Link Prediction, Prompt Engineering

Cyber threats are constantly evolving. Extracting actionable insights from unstructured Cyber Threat Intelligence (CTI) data is essential to guide cybersecurity decisions. Increasingly, organizations like Microsoft, Trend Micro, and CrowdStrike are using generative AI to facilitate CTI extraction. This paper addresses the challenge of automating the extraction of actionable CTI using advancements in Large Language Models (LLMs) and Knowledge Graphs (KGs). We explore the application of state-of-the-art open-source LLMs, including the Llama 2 series, Mistral 7B Instruct, and Zephyr for extracting meaningful triples from CTI texts. Our methodology evaluates techniques such as prompt engineering, the guidance framework, and fine-tuning to optimize information extraction and structuring. The extracted data is then utilized to construct a KG, offering a structured and queryable representation of threat intelligence. Experimental results demonstrate the effectiveness of our approach in extracting relevant information, with guidance and fine-tuning showing superior performance over prompt engineering. However, while our methods prove effective in small-scale tests, applying LLMs to large-scale data for KG construction and Link Prediction presents ongoing challenges.
Dual-view Aware Smart Contract Vulnerability Detection for Ethereum
Authors: Jiacheng Yao, Maolin Wang, Wanqi Chen, Chengxiang Jin, Jiajun Zhou, Shanqing Yu, Qi Xuan
Date: 2024-06-29 00:00:00
Tasks: Vulnerability Detection

The wide application of Ethereum technology has brought technological innovation to traditional industries. As one of Ethereum's core applications, smart contracts utilize diverse contract codes to meet various functional needs and have gained widespread use. However, the non-tamperability of smart contracts, coupled with vulnerabilities caused by natural flaws or human errors, has brought unprecedented challenges to blockchain security. Therefore, in order to ensure the healthy development of blockchain technology and the stability of the blockchain community, it is particularly important to study the vulnerability detection techniques for smart contracts. In this paper, we propose a Dual-view Aware Smart Contract Vulnerability Detection Framework named DVDet. The framework initially converts the source code and bytecode of smart contracts into weighted graphs and control flow sequences, capturing potential risk features from these two perspectives and integrating them for analysis, ultimately achieving effective contract vulnerability detection. Comprehensive experiments on the Ethereum dataset show that our method outperforms others in detecting vulnerabilities.
UnUnlearning: Unlearning is not sufficient for content regulation in advanced generative AI
Authors: Ilia Shumailov, Jamie Hayes, Eleni Triantafillou, Guillermo Ortiz-Jimenez, Nicolas Papernot, Matthew Jagielski, Itay Yona, Heidi Howard, Eugene Bagdasaryan
Date: 2024-06-27 00:00:00
Tasks: In-Context Learning

Exact unlearning was first introduced as a privacy mechanism that allowed a user to retract their data from machine learning models on request. Shortly after, inexact schemes were proposed to mitigate the impractical costs associated with exact unlearning. More recently unlearning is often discussed as an approach for removal of impermissible knowledge i.e. knowledge that the model should not possess such as unlicensed copyrighted, inaccurate, or malicious information. The promise is that if the model does not have a certain malicious capability, then it cannot be used for the associated malicious purpose. In this paper we revisit the paradigm in which unlearning is used for in Large Language Models (LLMs) and highlight an underlying inconsistency arising from in-context learning. Unlearning can be an effective control mechanism for the training phase, yet it does not prevent the model from performing an impermissible act during inference. We introduce a concept of ununlearning, where unlearned knowledge gets reintroduced in-context, effectively rendering the model capable of behaving as if it knows the forgotten knowledge. As a result, we argue that content filtering for impermissible knowledge will be required and even exact unlearning schemes are not enough for effective content regulation. We discuss feasibility of ununlearning for modern LLMs and examine broader implications.
INDICT: Code Generation with Internal Dialogues of Critiques for Both Security and Helpfulness
Authors: Hung Le, Yingbo Zhou, Caiming Xiong, Silvio Savarese, Doyen Sahoo
Date: 2024-06-23 00:00:00
Tasks: Code Generation, Navigate

Large language models (LLMs) for code are typically trained to align with natural language instructions to closely follow their intentions and requirements. However, in many practical scenarios, it becomes increasingly challenging for these models to navigate the intricate boundary between helpfulness and safety, especially against highly complex yet potentially malicious instructions. In this work, we introduce INDICT: a new framework that empowers LLMs with Internal Dialogues of Critiques for both safety and helpfulness guidance. The internal dialogue is a dual cooperative system between a safety-driven critic and a helpfulness-driven critic. Each critic provides analysis against the given task and corresponding generated response, equipped with external knowledge queried through relevant code snippets and tools like web search and code interpreter. We engage the dual critic system in both code generation stage as well as code execution stage, providing preemptive and post-hoc guidance respectively to LLMs. We evaluated INDICT on 8 diverse tasks across 8 programming languages from 5 benchmarks, using LLMs from 7B to 70B parameters. We observed that our approach can provide an advanced level of critiques of both safety and helpfulness analysis, significantly improving the quality of output codes ($+10\%$ absolute improvements in all models).
Logicbreaks: A Framework for Understanding Subversion of Rule-based Inference
Authors: Anton Xue, Avishree Khare, Rajeev Alur, Surbhi Goel, Eric Wong
Date: 2024-06-21 00:00:00
Tasks: Logical Reasoning

We study how to subvert large language models (LLMs) from following prompt-specified rules. We first formalize rule-following as inference in propositional Horn logic, a mathematical system in which rules have the form "if $P$ and $Q$, then $R$" for some propositions $P$, $Q$, and $R$. Next, we prove that although small transformers can faithfully follow such rules, maliciously crafted prompts can still mislead both theoretical constructions and models learned from data. Furthermore, we demonstrate that popular attack algorithms on LLMs find adversarial prompts and induce attention patterns that align with our theory. Our novel logic-based framework provides a foundation for studying LLMs in rule-based settings, enabling a formal analysis of tasks like logical reasoning and jailbreak attacks.
Variables are a Curse in Software Vulnerability Prediction
Authors: Jinghua Groppe, Sven Groppe, Ralf Möller
Date: 2024-06-18 00:00:00
Tasks: Deep Learning, Prediction

Deep learning-based approaches for software vulnerability prediction currently mainly rely on the original text of software code as the feature of nodes in the graph of code and thus could learn a representation that is only specific to the code text, rather than the representation that depicts the 'intrinsic' functionality of a program hidden in the text representation. One curse that causes this problem is an infinite number of possibilities to name a variable. In order to lift the curse, in this work we introduce a new type of edge called name dependence, a type of abstract syntax graph based on the name dependence, and an efficient node representation method named 3-property encoding scheme. These techniques will allow us to remove the concrete variable names from code, and facilitate deep learning models to learn the functionality of software hidden in diverse code expressions. The experimental results show that the deep learning models built on these techniques outperform the ones based on existing approaches not only in the prediction of vulnerabilities but also in the memory need. The factor of memory usage reductions of our techniques can be up to the order of 30,000 in comparison to existing approaches.
Formalising Anti-Discrimination Law in Automated Decision Systems
Authors: Holli Sargeant, Måns Magnusson
Date: 2024-06-29 00:00:00
Tasks: Fairness, Legal Reasoning, Misconceptions

Algorithmic discrimination is a critical concern as machine learning models are used in high-stakes decision-making in legally protected contexts. Although substantial research on algorithmic bias and discrimination has led to the development of fairness metrics, several critical legal issues remain unaddressed in practice. The paper addresses three key shortcomings in prevailing ML fairness paradigms: (1) the narrow reliance on prediction or outcome disparity as evidence for discrimination, (2) the lack of nuanced evaluation of estimation error and assumptions that the true causal structure and data-generating process are known, and (3) the overwhelming dominance of US-based analyses which has inadvertently fostered some misconceptions regarding lawful modelling practices in other jurisdictions. To address these gaps, we introduce a novel decision-theoretic framework grounded in anti-discrimination law of the United Kingdom, which has global influence and aligns closely with European and Commonwealth legal systems. We propose the "conditional estimation parity" metric, which accounts for estimation error and the underlying data-generating process, aligning with UK legal standards. We apply our formalism to a real-world algorithmic discrimination case, demonstrating how technical and legal reasoning can be aligned to detect and mitigate unlawful discrimination. Our contributions offer actionable, legally-grounded guidance for ML practitioners, policymakers, and legal scholars seeking to develop non-discriminatory automated decision systems that are legally robust.
Dataset Representativeness and Downstream Task Fairness
Authors: Victor Borza, Andrew Estornell, Chien-Ju Ho, Bradley Malin, Yevgeniy Vorobeychik
Date: 2024-06-28 00:00:00
Tasks: Fairness

Our society collects data on people for a wide range of applications, from building a census for policy evaluation to running meaningful clinical trials. To collect data, we typically sample individuals with the goal of accurately representing a population of interest. However, current sampling processes often collect data opportunistically from data sources, which can lead to datasets that are biased and not representative, i.e., the collected dataset does not accurately reflect the distribution of demographics of the true population. This is a concern because subgroups within the population can be under- or over-represented in a dataset, which may harm generalizability and lead to an unequal distribution of benefits and harms from downstream tasks that use such datasets (e.g., algorithmic bias in medical decision-making algorithms). In this paper, we assess the relationship between dataset representativeness and group-fairness of classifiers trained on that dataset. We demonstrate that there is a natural tension between dataset representativeness and classifier fairness; empirically we observe that training datasets with better representativeness can frequently result in classifiers with higher rates of unfairness. We provide some intuition as to why this occurs via a set of theoretical results in the case of univariate classifiers. We also find that over-sampling underrepresented groups can result in classifiers which exhibit greater bias to those groups. Lastly, we observe that fairness-aware sampling strategies (i.e., those which are specifically designed to select data with high downstream fairness) will often over-sample members of majority groups. These results demonstrate that the relationship between dataset representativeness and downstream classifier fairness is complex; balancing these two quantities requires special care from both model- and dataset-designers.
Deriva-ML: A Continuous FAIRness Approach to Reproducible Machine Learning Models
Authors: Zhiwei Li, Carl Kesselman, Mike D'Arch, Michael Pazzani, Benjamin Yizing Xu
Date: 2024-06-27 00:00:00
Tasks: Fairness

Increasingly, artificial intelligence (AI) and machine learning (ML) are used in eScience applications [9]. While these approaches have great potential, the literature has shown that ML-based approaches frequently suffer from results that are either incorrect or unreproducible due to mismanagement or misuse of data used for training and validating the models [12, 15]. Recognition of the necessity of high-quality data for correct ML results has led to data-centric ML approaches that shift the central focus from model development to creation of high-quality data sets to train and validate the models [14, 20]. However, there are limited tools and methods available for data-centric approaches to explore and evaluate ML solutions for eScience problems which often require collaborative multidisciplinary teams working with models and data that will rapidly evolve as an investigation unfolds [1]. In this paper, we show how data management tools based on the principle that all of the data for ML should be findable, accessible, interoperable and reusable (i.e. FAIR [26]) can significantly improve the quality of data that is used for ML applications. When combined with best practices that apply these tools to the entire life cycle of an ML-based eScience investigation, we can significantly improve the ability of an eScience team to create correct and reproducible ML solutions. We propose an architecture and implementation of such tools and demonstrate through two use cases how they can be used to improve ML-based eScience investigations.