pwc-archive/papers-with-abstracts huggingface dataset:
Predicting Open-Hole Laminates Failure Using Support Vector Machines With Classical and Quantum Kernels
Authors: Giorgio Tosti Balducci, Boyang Chen, Matthias Möller, Marc Gerritsma, Roeland De Breuker
Date: 2024-05-05 00:00:00

Modeling open hole failure of composites is a complex task, consisting in a highly nonlinear response with interacting failure modes. Numerical modeling of this phenomenon has traditionally been based on the finite element method, but requires to tradeoff between high fidelity and computational cost. To mitigate this shortcoming, recent work has leveraged machine learning to predict the strength of open hole composite specimens. Here, we also propose using data-based models but to tackle open hole composite failure from a classification point of view. More specifically, we show how to train surrogate models to learn the ultimate failure envelope of an open hole composite plate under in-plane loading. To achieve this, we solve the classification problem via support vector machine (SVM) and test different classifiers by changing the SVM kernel function. The flexibility of kernel-based SVM also allows us to integrate the recently developed quantum kernels in our algorithm and compare them with the standard radial basis function (RBF) kernel. Finally, thanks to kernel-target alignment optimization, we tune the free parameters of all kernels to best separate safe and failure-inducing loading states. The results show classification accuracies higher than 90% for RBF, especially after alignment, followed closely by the quantum kernel classifiers.
Exploring the Improvement of Evolutionary Computation via Large Language Models
Authors: Jinyu Cai, Jinglue Xu, Jialong Li, Takuto Ymauchi, Hitoshi Iba, Kenji Tei
Date: 2024-05-05 00:00:00

Evolutionary computation (EC), as a powerful optimization algorithm, has been applied across various domains. However, as the complexity of problems increases, the limitations of EC have become more apparent. The advent of large language models (LLMs) has not only transformed natural language processing but also extended their capabilities to diverse fields. By harnessing LLMs' vast knowledge and adaptive capabilities, we provide a forward-looking overview of potential improvements LLMs can bring to EC, focusing on the algorithms themselves, population design, and additional enhancements. This presents a promising direction for future research at the intersection of LLMs and EC.
Data-Efficient Molecular Generation with Hierarchical Textual Inversion
Authors: Seojin Kim, Jaehyun Nam, Sihyun Yu, Younghoon Shin, Jinwoo Shin
Date: 2024-05-05 00:00:00
Tasks: Drug Discovery, Image Generation, Molecular Property Prediction, Property Prediction

Developing an effective molecular generation framework even with a limited number of molecules is often important for its practical deployment, e.g., drug discovery, since acquiring task-related molecular data requires expensive and time-consuming experimental costs. To tackle this issue, we introduce Hierarchical textual Inversion for Molecular generation (HI-Mol), a novel data-efficient molecular generation method. HI-Mol is inspired by the importance of hierarchical information, e.g., both coarse- and fine-grained features, in understanding the molecule distribution. We propose to use multi-level embeddings to reflect such hierarchical features based on the adoption of the recent textual inversion technique in the visual domain, which achieves data-efficient image generation. Compared to the conventional textual inversion method in the image domain using a single-level token embedding, our multi-level token embeddings allow the model to effectively learn the underlying low-shot molecule distribution. We then generate molecules based on the interpolation of the multi-level token embeddings. Extensive experiments demonstrate the superiority of HI-Mol with notable data-efficiency. For instance, on QM9, HI-Mol outperforms the prior state-of-the-art method with 50x less training data. We also show the effectiveness of molecules generated by HI-Mol in low-shot molecular property prediction.
IceFormer: Accelerated Inference with Long-Sequence Transformers on CPUs
Authors: Yuzhen Mao, Martin Ester, Ke Li
Date: 2024-05-05 00:00:00

One limitation of existing Transformer-based models is that they cannot handle very long sequences as input since their self-attention operations exhibit quadratic time and space complexity. This problem becomes especially acute when Transformers are deployed on hardware platforms equipped only with CPUs. To address this issue, we propose a novel method for accelerating self-attention at inference time that works with pretrained Transformer models out-of-the-box without requiring retraining. We experiment using our method to accelerate various long-sequence Transformers, including a leading LLaMA 2-based LLM, on various benchmarks and demonstrate a greater speedup of 2.73x - 7.63x while retaining 98.6% - 99.6% of the accuracy of the original pretrained models. The code is available on our project website at https://yuzhenmao.github.io/IceFormer/.
Trojans in Large Language Models of Code: A Critical Review through a Trigger-Based Taxonomy
Authors: Aftab Hussain, Md Rafiqul Islam Rabin, Toufique Ahmed, Bowen Xu, Premkumar Devanbu, Mohammad Amin Alipour
Date: 2024-05-05 00:00:00

Large language models (LLMs) have provided a lot of exciting new capabilities in software development. However, the opaque nature of these models makes them difficult to reason about and inspect. Their opacity gives rise to potential security risks, as adversaries can train and deploy compromised models to disrupt the software development process in the victims' organization. This work presents an overview of the current state-of-the-art trojan attacks on large language models of code, with a focus on triggers -- the main design point of trojans -- with the aid of a novel unifying trigger taxonomy framework. We also aim to provide a uniform definition of the fundamental concepts in the area of trojans in Code LLMs. Finally, we draw implications of findings on how code models learn on trigger design.
Stochastic RAG: End-to-End Retrieval-Augmented Generation through Expected Utility Maximization
Authors: Hamed Zamani, Michael Bendersky
Date: 2024-05-05 00:00:00
Tasks: Fact Verification, Open-Domain Question Answering, Question Answering, RAG, Relation Extraction, Retrieval, Retrieval-augmented Generation, slot-filling, Slot Filling

This paper introduces Stochastic RAG--a novel approach for end-to-end optimization of retrieval-augmented generation (RAG) models that relaxes the simplifying assumptions of marginalization and document independence, made in most prior work. Stochastic RAG casts the retrieval process in RAG as a stochastic sampling without replacement process. Through this formulation, we employ straight-through Gumbel-top-k that provides a differentiable approximation for sampling without replacement and enables effective end-to-end optimization for RAG. We conduct extensive experiments on seven diverse datasets on a wide range of tasks, from open-domain question answering to fact verification to slot-filling for relation extraction and to dialogue systems. By applying this optimization method to a recent and effective RAG model, we advance state-of-the-art results on six out of seven datasets.
Verlet Flows: Exact-Likelihood Integrators for Flow-Based Generative Models
Authors: Ezra Erives, Bowen Jing, Tommi Jaakkola
Date: 2024-05-05 00:00:00

Approximations in computing model likelihoods with continuous normalizing flows (CNFs) hinder the use of these models for importance sampling of Boltzmann distributions, where exact likelihoods are required. In this work, we present Verlet flows, a class of CNFs on an augmented state-space inspired by symplectic integrators from Hamiltonian dynamics. When used with carefully constructed Taylor-Verlet integrators, Verlet flows provide exact-likelihood generative models which generalize coupled flow architectures from a non-continuous setting while imposing minimal expressivity constraints. On experiments over toy densities, we demonstrate that the variance of the commonly used Hutchinson trace estimator is unsuitable for importance sampling, whereas Verlet flows perform comparably to full autograd trace computations while being significantly faster.
Is Flash Attention Stable?
Authors: Alicia Golden, Samuel Hsia, Fei Sun, Bilge Acun, Basil Hosmer, Yejin Lee, Zachary DeVito, Jeff Johnson, Gu-Yeon Wei, David Brooks, Carole-Jean Wu
Date: 2024-05-05 00:00:00

Training large-scale machine learning models poses distinct system challenges, given both the size and complexity of today's workloads. Recently, many organizations training state-of-the-art Generative AI models have reported cases of instability during training, often taking the form of loss spikes. Numeric deviation has emerged as a potential cause of this training instability, although quantifying this is especially challenging given the costly nature of training runs. In this work, we develop a principled approach to understanding the effects of numeric deviation, and construct proxies to put observations into context when downstream effects are difficult to quantify. As a case study, we apply this framework to analyze the widely-adopted Flash Attention optimization. We find that Flash Attention sees roughly an order of magnitude more numeric deviation as compared to Baseline Attention at BF16 when measured during an isolated forward pass. We then use a data-driven analysis based on the Wasserstein Distance to provide upper bounds on how this numeric deviation impacts model weights during training, finding that the numerical deviation present in Flash Attention is 2-5 times less significant than low-precision training.
Graph as Point Set
Authors: Xiyuan Wang, Pan Li, Muhan Zhang
Date: 2024-05-05 00:00:00

Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to encode the interconnections. In contrast, this paper introduces a novel graph-to-set conversion method that bijectively transforms interconnected nodes into a set of independent points and then uses a set encoder to learn the graph representation. This conversion method holds dual significance. Firstly, it enables using set encoders to learn from graphs, thereby significantly expanding the design space of GNNs. Secondly, for Transformer, a specific set encoder, we provide a novel and principled approach to inject graph information losslessly, different from all the heuristic structural/positional encoding methods adopted in previous graph transformers. To demonstrate the effectiveness of our approach, we introduce Point Set Transformer (PST), a transformer architecture that accepts a point set converted from a graph as input. Theoretically, PST exhibits superior expressivity for both short-range substructure counting and long-range shortest path distance tasks compared to existing GNNs. Extensive experiments further validate PST's outstanding real-world performance. Besides Transformer, we also devise a Deepset-based set encoder, which achieves performance comparable to representative GNNs, affirming the versatility of our graph-to-set method.
Confidential and Protected Disease Classifier using Fully Homomorphic Encryption
Authors: Aditya Malik, Nalini Ratha, Bharat Yalavarthi, Tilak Sharma, Arjun Kaushik, Charanjit Jutla
Date: 2024-05-05 00:00:00

With the rapid surge in the prevalence of Large Language Models (LLMs), individuals are increasingly turning to conversational AI for initial insights across various domains, including health-related inquiries such as disease diagnosis. Many users seek potential causes on platforms like ChatGPT or Bard before consulting a medical professional for their ailment. These platforms offer valuable benefits by streamlining the diagnosis process, alleviating the significant workload of healthcare practitioners, and saving users both time and money by avoiding unnecessary doctor visits. However, Despite the convenience of such platforms, sharing personal medical data online poses risks, including the presence of malicious platforms or potential eavesdropping by attackers. To address privacy concerns, we propose a novel framework combining FHE and Deep Learning for a secure and private diagnosis system. Operating on a question-and-answer-based model akin to an interaction with a medical practitioner, this end-to-end secure system employs Fully Homomorphic Encryption (FHE) to handle encrypted input data. Given FHE's computational constraints, we adapt deep neural networks and activation functions to the encryted domain. Further, we also propose a faster algorithm to compute summation of ciphertext elements. Through rigorous experiments, we demonstrate the efficacy of our approach. The proposed framework achieves strict security and privacy with minimal loss in performance.
Linear Noise Approximation Assisted Bayesian Inference on Mechanistic Model of Partially Observed Stochastic Reaction Network
Authors: Wandi Xu, Wei Xie
Date: 2024-05-05 00:00:00
Tasks: Bayesian Inference

To support mechanism online learning and facilitate digital twin development for biomanufacturing processes, this paper develops an efficient Bayesian inference approach for partially observed enzymatic stochastic reaction network (SRN), a fundamental building block of multi-scale bioprocess mechanistic model. To tackle the critical challenges brought by the nonlinear stochastic differential equations (SDEs)-based mechanistic model with partially observed state and having measurement errors, an interpretable Bayesian updating linear noise approximation (LNA) metamodel, incorporating the structure information of the mechanistic model, is proposed to approximate the likelihood of observations. Then, an efficient posterior sampling approach is developed by utilizing the gradients of the derived likelihood to speed up the convergence of Markov Chain Monte Carlo (MCMC). The empirical study demonstrates that the proposed approach has a promising performance.
PhilHumans: Benchmarking Machine Learning for Personal Health
Authors: Vadim Liventsev, Vivek Kumar, Allmin Pradhap Singh Susaiyah, Zixiu Wu, Ivan Rodin, Asfand Yaar, Simone Balloccu, Marharyta Beraziuk, Sebastiano Battiato, Giovanni Maria Farinella, Aki Härmä, Rim Helaoui, Milan Petkovic, Diego Reforgiato Recupero, Ehud Reiter, Daniele Riboni, Raymond Sterling
Date: 2024-05-04 00:00:00
Tasks: Action Anticipation, Benchmarking, Language Modeling, Language Modelling, Program Synthesis

The use of machine learning in Healthcare has the potential to improve patient outcomes as well as broaden the reach and affordability of Healthcare. The history of other application areas indicates that strong benchmarks are essential for the development of intelligent systems. We present Personal Health Interfaces Leveraging HUman-MAchine Natural interactions (PhilHumans), a holistic suite of benchmarks for machine learning across different Healthcare settings - talk therapy, diet coaching, emergency care, intensive care, obstetric sonography - as well as different learning settings, such as action anticipation, timeseries modeling, insight mining, language modeling, computer vision, reinforcement learning and program synthesis
Linear Convergence of Independent Natural Policy Gradient in Games with Entropy Regularization
Authors: Youbang Sun, Tao Liu, P. R. Kumar, Shahin Shahrampour
Date: 2024-05-04 00:00:00
Tasks: Multi-agent Reinforcement Learning

This work focuses on the entropy-regularized independent natural policy gradient (NPG) algorithm in multi-agent reinforcement learning. In this work, agents are assumed to have access to an oracle with exact policy evaluation and seek to maximize their respective independent rewards. Each individual's reward is assumed to depend on the actions of all the agents in the multi-agent system, leading to a game between agents. We assume all agents make decisions under a policy with bounded rationality, which is enforced by the introduction of entropy regularization. In practice, a smaller regularization implies the agents are more rational and behave closer to Nash policies. On the other hand, agents with larger regularization acts more randomly, which ensures more exploration. We show that, under sufficient entropy regularization, the dynamics of this system converge at a linear rate to the quantal response equilibrium (QRE). Although regularization assumptions prevent the QRE from approximating a Nash equilibrium, our findings apply to a wide range of games, including cooperative, potential, and two-player matrix games. We also provide extensive empirical results on multiple games (including Markov games) as a verification of our theoretical analysis.
Assessing Adversarial Robustness of Large Language Models: An Empirical Study
Authors: Zeyu Yang, Zhao Meng, Xiaochen Zheng, Roger Wattenhofer
Date: 2024-05-04 00:00:00
Tasks: Adversarial Robustness, text-classification, Text Classification

Large Language Models (LLMs) have revolutionized natural language processing, but their robustness against adversarial attacks remains a critical concern. We presents a novel white-box style attack approach that exposes vulnerabilities in leading open-source LLMs, including Llama, OPT, and T5. We assess the impact of model size, structure, and fine-tuning strategies on their resistance to adversarial perturbations. Our comprehensive evaluation across five diverse text classification tasks establishes a new benchmark for LLM robustness. The findings of this study have far-reaching implications for the reliable deployment of LLMs in real-world applications and contribute to the advancement of trustworthy AI systems.
Sub-goal Distillation: A Method to Improve Small Language Agents
Authors: Maryam Hashemzadeh, Elias Stengel-Eskin, Sarath Chandar, Marc-Alexandre Cote
Date: 2024-05-04 00:00:00
Tasks: Imitation Learning, Knowledge Distillation, Language Modelling

While Large Language Models (LLMs) have demonstrated significant promise as agents in interactive tasks, their substantial computational requirements and restricted number of calls constrain their practical utility, especially in long-horizon interactive tasks such as decision-making or in scenarios involving continuous ongoing tasks. To address these constraints, we propose a method for transferring the performance of an LLM with billions of parameters to a much smaller language model (770M parameters). Our approach involves constructing a hierarchical agent comprising a planning module, which learns through Knowledge Distillation from an LLM to generate sub-goals, and an execution module, which learns to accomplish these sub-goals using elementary actions. In detail, we leverage an LLM to annotate an oracle path with a sequence of sub-goals towards completing a goal. Subsequently, we utilize this annotated data to fine-tune both the planning and execution modules. Importantly, neither module relies on real-time access to an LLM during inference, significantly reducing the overall cost associated with LLM interactions to a fixed cost. In ScienceWorld, a challenging and multi-task interactive text environment, our method surpasses standard imitation learning based solely on elementary actions by 16.7% (absolute). Our analysis highlights the efficiency of our approach compared to other LLM-based methods. Our code and annotated data for distillation can be found on GitHub.
Understanding Server-Assisted Federated Learning in the Presence of Incomplete Client Participation
Authors: Haibo Yang, Peiwen Qiu, Prashant Khanduri, Minghong Fang, Jia Liu
Date: 2024-05-04 00:00:00
Tasks: Federated Learning

Existing works in federated learning (FL) often assume an ideal system with either full client or uniformly distributed client participation. However, in practice, it has been observed that some clients may never participate in FL training (aka incomplete client participation) due to a myriad of system heterogeneity factors. A popular approach to mitigate impacts of incomplete client participation is the server-assisted federated learning (SA-FL) framework, where the server is equipped with an auxiliary dataset. However, despite SA-FL has been empirically shown to be effective in addressing the incomplete client participation problem, there remains a lack of theoretical understanding for SA-FL. Meanwhile, the ramifications of incomplete client participation in conventional FL are also poorly understood. These theoretical gaps motivate us to rigorously investigate SA-FL. Toward this end, we first show that conventional FL is {\em not} PAC-learnable under incomplete client participation in the worst case. Then, we show that the PAC-learnability of FL with incomplete client participation can indeed be revived by SA-FL, which theoretically justifies the use of SA-FL for the first time. Lastly, to provide practical guidance for SA-FL training under {\em incomplete client participation}, we propose the $\mathsf{SAFARI}$ (server-assisted federated averaging) algorithm that enjoys the same linear convergence speedup guarantees as classic FL with ideal client participation assumptions, offering the first SA-FL algorithm with convergence guarantee. Extensive experiments on different datasets show $\mathsf{SAFARI}$ significantly improves the performance under incomplete client participation.
Systematic Review: Anomaly Detection in Connected and Autonomous Vehicles
Authors: J. R. V. Solaas, N. Tuptuk, E. Mariconti
Date: 2024-05-04 00:00:00
Tasks: Anomaly Detection, Articles, Autonomous Vehicles, Benchmarking, Intrusion Detection

This systematic review focuses on anomaly detection for connected and autonomous vehicles. The initial database search identified 2160 articles, of which 203 were included in this review after rigorous screening and assessment. This study revealed that the most commonly used Artificial Intelligence (AI) algorithms employed in anomaly detection are neural networks like LSTM, CNN, and autoencoders, alongside one-class SVM. Most anomaly-based models were trained using real-world operational vehicle data, although anomalies, such as attacks and faults, were often injected artificially into the datasets. These models were evaluated mostly using five key evaluation metrics: recall, accuracy, precision, F1-score, and false positive rate. The most frequently used selection of evaluation metrics used for anomaly detection models were accuracy, precision, recall, and F1-score. This systematic review presents several recommendations. First, there is a need to incorporate multiple evaluation metrics to provide a comprehensive assessment of the anomaly detection models. Second, only a small proportion of the studies have made their models open source, indicating a need to share models publicly to facilitate collaboration within the research community, and to validate and compare findings effectively. Third, there is a need for benchmarking datasets with predefined anomalies or cyberattacks to test and improve the effectiveness of the proposed anomaly-based detection models. Furthermore, there is a need for future research to investigate the deployment of anomaly detection to a vehicle to assess its performance on the road. There is a notable lack of research done on intrusion detection systems using different protocols to CAN, such as Ethernet and FlexRay.