pwc-archive/papers-with-abstracts huggingface dataset:
Output-decomposed Learning of Mealy Machines
Authors: Rick Koenders, Joshua Moerman
Date: 2024-05-14 00:00:00

We present an active automata learning algorithm which learns a decomposition of a finite state machine, based on projecting onto individual outputs. This is dual to a recent compositional learning algorithm by Labbaf et al. (2023). When projecting the outputs to a smaller set, the model itself is reduced in size. By having several such projections, we do not lose any information and the full system can be reconstructed. Depending on the structure of the system this reduces the number of queries drastically, as shown by a preliminary evaluation of the algorithm.
Certifying Robustness of Graph Convolutional Networks for Node Perturbation with Polyhedra Abstract Interpretation
Authors: Boqi Chen, Kristóf Marussy, Oszkár Semeráth, Gunter Mussbacher, Dániel Varró
Date: 2024-05-14 00:00:00
Tasks: Node Classification

Graph convolutional neural networks (GCNs) are powerful tools for learning graph-based knowledge representations from training data. However, they are vulnerable to small perturbations in the input graph, which makes them susceptible to input faults or adversarial attacks. This poses a significant problem for GCNs intended to be used in critical applications, which need to provide certifiably robust services even in the presence of adversarial perturbations. We propose an improved GCN robustness certification technique for node classification in the presence of node feature perturbations. We introduce a novel polyhedra-based abstract interpretation approach to tackle specific challenges of graph data and provide tight upper and lower bounds for the robustness of the GCN. Experiments show that our approach simultaneously improves the tightness of robustness bounds as well as the runtime performance of certification. Moreover, our method can be used during training to further improve the robustness of GCNs.
vMFER: Von Mises-Fisher Experience Resampling Based on Uncertainty of Gradient Directions for Policy Improvement
Authors: Yiwen Zhu, Jinyi Liu, Wenya Wei, Qianyi Fu, Yujing Hu, Zhou Fang, Bo An, Jianye Hao, Tangjie Lv, Changjie Fan
Date: 2024-05-14 00:00:00
Tasks: Decision Making, Reinforcement Learning (RL)

Reinforcement Learning (RL) is a widely employed technique in decision-making problems, encompassing two fundamental operations -- policy evaluation and policy improvement. Enhancing learning efficiency remains a key challenge in RL, with many efforts focused on using ensemble critics to boost policy evaluation efficiency. However, when using multiple critics, the actor in the policy improvement process can obtain different gradients. Previous studies have combined these gradients without considering their disagreements. Therefore, optimizing the policy improvement process is crucial to enhance learning efficiency. This study focuses on investigating the impact of gradient disagreements caused by ensemble critics on policy improvement. We introduce the concept of uncertainty of gradient directions as a means to measure the disagreement among gradients utilized in the policy improvement process. Through measuring the disagreement among gradients, we find that transitions with lower uncertainty of gradient directions are more reliable in the policy improvement process. Building on this analysis, we propose a method called von Mises-Fisher Experience Resampling (vMFER), which optimizes the policy improvement process by resampling transitions and assigning higher confidence to transitions with lower uncertainty of gradient directions. Our experiments demonstrate that vMFER significantly outperforms the benchmark and is particularly well-suited for ensemble structures in RL.
Drift Detection: Introducing Gaussian Split Detector
Authors: Maxime Fuccellaro, Laurent Simon, Akka Zemmari
Date: 2024-05-14 00:00:00
Tasks: Drift Detection

Recent research yielded a wide array of drift detectors. However, in order to achieve remarkable performance, the true class labels must be available during the drift detection phase. This paper targets at detecting drift when the ground truth is unknown during the detection phase. To that end, we introduce Gaussian Split Detector (GSD) a novel drift detector that works in batch mode. GSD is designed to work when the data follow a normal distribution and makes use of Gaussian mixture models to monitor changes in the decision boundary. The algorithm is designed to handle multi-dimension data streams and to work without the ground truth labels during the inference phase making it pertinent for real world use. In an extensive experimental study on real and synthetic datasets, we evaluate our detector against the state of the art. We show that our detector outperforms the state of the art in detecting real drift and in ignoring virtual drift which is key to avoid false alarms.
Optimal design of experiments in the context of machine-learning inter-atomic potentials: improving the efficiency and transferability of kernel based methods
Authors: Bartosz Barzdajn, Christopher P. Race
Date: 2024-05-14 00:00:00
Tasks: Informativeness

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these potentials are as good as the training data (usually results of so-called ab initio simulations) and we need to make sure that we have enough information for a model to become sufficiently accurate, reliable and transferable. The main challenge stems from the fact that descriptors of chemical environments are often sparse high-dimensional objects without a well-defined continuous metric. Therefore, it is rather unlikely that any ad hoc method of choosing training examples will be indiscriminate, and it will be easy to fall into the trap of confirmation bias, where the same narrow and biased sampling is used to generate train- and test- sets. We will demonstrate that classical concepts of statistical planning of experiments and optimal design can help to mitigate such problems at a relatively low computational cost. The key feature of the method we will investigate is that they allow us to assess the informativeness of data (how much we can improve the model by adding/swapping a training example) and verify if the training is feasible with the current set before obtaining any reference energies and forces -- a so-called off-line approach. In other words, we are focusing on an approach that is easy to implement and doesn't require sophisticated frameworks that involve automated access to high-performance computational (HPC).
A Fast and Scalable Pathwise-Solver for Group Lasso and Elastic Net Penalized Regression via Block-Coordinate Descent
Authors: James Yang, Trevor Hastie
Date: 2024-05-14 00:00:00

We develop fast and scalable algorithms based on block-coordinate descent to solve the group lasso and the group elastic net for generalized linear models along a regularization path. Special attention is given when the loss is the usual least squares loss (Gaussian loss). We show that each block-coordinate update can be solved efficiently using Newton's method and further improved using an adaptive bisection method, solving these updates with a quadratic convergence rate. Our benchmarks show that our package adelie performs 3 to 10 times faster than the next fastest package on a wide array of both simulated and real datasets. Moreover, we demonstrate that our package is a competitive lasso solver as well, matching the performance of the popular lasso package glmnet.
GN-SINDy: Greedy Sampling Neural Network in Sparse Identification of Nonlinear Partial Differential Equations
Authors: Ali Forootani, Peter Benner
Date: 2024-05-14 00:00:00
Tasks: Model Discovery

The sparse identification of nonlinear dynamical systems (SINDy) is a data-driven technique employed for uncovering and representing the fundamental dynamics of intricate systems based on observational data. However, a primary obstacle in the discovery of models for nonlinear partial differential equations (PDEs) lies in addressing the challenges posed by the curse of dimensionality and large datasets. Consequently, the strategic selection of the most informative samples within a given dataset plays a crucial role in reducing computational costs and enhancing the effectiveness of SINDy-based algorithms. To this aim, we employ a greedy sampling approach to the snapshot matrix of a PDE to obtain its valuable samples, which are suitable to train a deep neural network (DNN) in a SINDy framework. SINDy based algorithms often consist of a data collection unit, constructing a dictionary of basis functions, computing the time derivative, and solving a sparse identification problem which ends to regularised least squares minimization. In this paper, we extend the results of a SINDy based deep learning model discovery (DeePyMoD) approach by integrating greedy sampling technique in its data collection unit and new sparsity promoting algorithms in the least squares minimization unit. In this regard we introduce the greedy sampling neural network in sparse identification of nonlinear partial differential equations (GN-SINDy) which blends a greedy sampling method, the DNN, and the SINDy algorithm. In the implementation phase, to show the effectiveness of GN-SINDy, we compare its results with DeePyMoD by using a Python package that is prepared for this purpose on numerous PDE discovery
Optimizing Deep Reinforcement Learning for American Put Option Hedging
Authors: Reilly Pickard, F. Wredenhagen, Y. Lawryshyn
Date: 2024-05-14 00:00:00
Tasks: Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning

This paper contributes to the existing literature on hedging American options with Deep Reinforcement Learning (DRL). The study first investigates hyperparameter impact on hedging performance, considering learning rates, training episodes, neural network architectures, training steps, and transaction cost penalty functions. Results highlight the importance of avoiding certain combinations, such as high learning rates with a high number of training episodes or low learning rates with few training episodes and emphasize the significance of utilizing moderate values for optimal outcomes. Additionally, the paper warns against excessive training steps to prevent instability and demonstrates the superiority of a quadratic transaction cost penalty function over a linear version. This study then expands upon the work of Pickard et al. (2024), who utilize a Chebyshev interpolation option pricing method to train DRL agents with market calibrated stochastic volatility models. While the results of Pickard et al. (2024) showed that these DRL agents achieve satisfactory performance on empirical asset paths, this study introduces a novel approach where new agents at weekly intervals to newly calibrated stochastic volatility models. Results show DRL agents re-trained using weekly market data surpass the performance of those trained solely on the sale date. Furthermore, the paper demonstrates that both single-train and weekly-train DRL agents outperform the Black-Scholes Delta method at transaction costs of 1% and 3%. This practical relevance suggests that practitioners can leverage readily available market data to train DRL agents for effective hedging of options in their portfolios.
Risks and Opportunities of Open-Source Generative AI
Authors: Francisco Eiras, Aleksandar Petrov, Bertie Vidgen, Christian Schroeder, Fabio Pizzati, Katherine Elkins, Supratik Mukhopadhyay, Adel Bibi, Aaron Purewal, Csaba Botos, Fabro Steibel, FAZEL KESHTKAR, Fazl Barez, Genevieve Smith, Gianluca Guadagni, Jon Chun, Jordi Cabot, Joseph Imperial, Juan Arturo Nolazco, Lori Landay, Matthew Jackson, Phillip H. S. Torr, Trevor Darrell, Yong Lee, Jakob Foerster
Date: 2024-05-14 00:00:00

Applications of Generative AI (Gen AI) are expected to revolutionize a number of different areas, ranging from science & medicine to education. The potential for these seismic changes has triggered a lively debate about the potential risks of the technology, and resulted in calls for tighter regulation, in particular from some of the major tech companies who are leading in AI development. This regulation is likely to put at risk the budding field of open-source generative AI. Using a three-stage framework for Gen AI development (near, mid and long-term), we analyze the risks and opportunities of open-source generative AI models with similar capabilities to the ones currently available (near to mid-term) and with greater capabilities (long-term). We argue that, overall, the benefits of open-source Gen AI outweigh its risks. As such, we encourage the open sourcing of models, training and evaluation data, and provide a set of recommendations and best practices for managing risks associated with open-source generative AI.
Python-Based Reinforcement Learning on Simulink Models
Authors: Georg Schäfer, Max Schirl, Jakob Rehrl, Stefan Huber, Simon Hirlaender
Date: 2024-05-14 00:00:00
Tasks: C++ code, Code Generation, reinforcement-learning, Reinforcement Learning

This paper proposes a framework for training Reinforcement Learning agents using Python in conjunction with Simulink models. Leveraging Python's superior customization options and popular libraries like Stable Baselines3, we aim to bridge the gap between the established Simulink environment and the flexibility of Python for training bleeding edge agents. Our approach is demonstrated on the Quanser Aero 2, a versatile dual-rotor helicopter. We show that policies trained on Simulink models can be seamlessly transferred to the real system, enabling efficient development and deployment of Reinforcement Learning agents for control tasks. Through systematic integration steps, including C-code generation from Simulink, DLL compilation, and Python interface development, we establish a robust framework for training agents on Simulink models. Experimental results demonstrate the effectiveness of our approach, surpassing previous efforts and highlighting the potential of combining Simulink with Python for Reinforcement Learning research and applications.
PTPI-DL-ROMs: pre-trained physics-informed deep learning-based reduced order models for nonlinear parametrized PDEs
Authors: Simone Brivio, Stefania Fresca, Andrea Manzoni
Date: 2024-05-14 00:00:00

The coupling of Proper Orthogonal Decomposition (POD) and deep learning-based ROMs (DL-ROMs) has proved to be a successful strategy to construct non-intrusive, highly accurate, surrogates for the real time solution of parametric nonlinear time-dependent PDEs. Inexpensive to evaluate, POD-DL-ROMs are also relatively fast to train, thanks to their limited complexity. However, POD-DL-ROMs account for the physical laws governing the problem at hand only through the training data, that are usually obtained through a full order model (FOM) relying on a high-fidelity discretization of the underlying equations. Moreover, the accuracy of POD-DL-ROMs strongly depends on the amount of available data. In this paper, we consider a major extension of POD-DL-ROMs by enforcing the fulfillment of the governing physical laws in the training process -- that is, by making them physics-informed -- to compensate for possible scarce and/or unavailable data and improve the overall reliability. To do that, we first complement POD-DL-ROMs with a trunk net architecture, endowing them with the ability to compute the problem's solution at every point in the spatial domain, and ultimately enabling a seamless computation of the physics-based loss by means of the strong continuous formulation. Then, we introduce an efficient training strategy that limits the notorious computational burden entailed by a physics-informed training phase. In particular, we take advantage of the few available data to develop a low-cost pre-training procedure; then, we fine-tune the architecture in order to further improve the prediction reliability. Accuracy and efficiency of the resulting pre-trained physics-informed DL-ROMs (PTPI-DL-ROMs) are then assessed on a set of test cases ranging from non-affinely parametrized advection-diffusion-reaction equations, to nonlinear problems like the Navier-Stokes equations for fluid flows.
Improving Transformers with Dynamically Composable Multi-Head Attention
Authors: Da Xiao, Qingye Meng, Shengping Li, Xingyuan Yuan
Date: 2024-05-14 00:00:00
Tasks: Language Modeling, Language Modelling

Multi-Head Attention (MHA) is a key component of Transformer. In MHA, attention heads work independently, causing problems such as low-rank bottleneck of attention score matrices and head redundancy. We propose Dynamically Composable Multi-Head Attention (DCMHA), a parameter and computation efficient attention architecture that tackles the shortcomings of MHA and increases the expressive power of the model by dynamically composing attention heads. At the core of DCMHA is a $\it{Compose}$ function that transforms the attention score and weight matrices in an input-dependent way. DCMHA can be used as a drop-in replacement of MHA in any transformer architecture to obtain the corresponding DCFormer. DCFormer significantly outperforms Transformer on different architectures and model scales in language modeling, matching the performance of models with ~1.7x-2.0x compute. For example, DCPythia-6.9B outperforms open source Pythia-12B on both pretraining perplexity and downstream task evaluation. The code and models are available at https://github.com/Caiyun-AI/DCFormer.
Learning Multi-Agent Communication from Graph Modeling Perspective
Authors: Shengchao Hu, Li Shen, Ya zhang, DaCheng Tao
Date: 2024-05-14 00:00:00

In numerous artificial intelligence applications, the collaborative efforts of multiple intelligent agents are imperative for the successful attainment of target objectives. To enhance coordination among these agents, a distributed communication framework is often employed. However, information sharing among all agents proves to be resource-intensive, while the adoption of a manually pre-defined communication architecture imposes limitations on inter-agent communication, thereby constraining the potential for collaborative efforts. In this study, we introduce a novel approach wherein we conceptualize the communication architecture among agents as a learnable graph. We formulate this problem as the task of determining the communication graph while enabling the architecture parameters to update normally, thus necessitating a bi-level optimization process. Utilizing continuous relaxation of the graph representation and incorporating attention units, our proposed approach, CommFormer, efficiently optimizes the communication graph and concurrently refines architectural parameters through gradient descent in an end-to-end manner. Extensive experiments on a variety of cooperative tasks substantiate the robustness of our model across diverse cooperative scenarios, where agents are able to develop more coordinated and sophisticated strategies regardless of changes in the number of agents.
Self-Distillation Improves DNA Sequence Inference
Authors: Tong Yu, Lei Cheng, Ruslan Khalitov, Erland Brandser Olsson, Zhirong Yang
Date: 2024-05-14 00:00:00
Tasks: Contrastive Learning, Language Modeling, Language Modelling, Masked Language Modeling

Self-supervised pretraining (SSP) has been recognized as a method to enhance prediction accuracy in various downstream tasks. However, its efficacy for DNA sequences remains somewhat constrained. This limitation stems primarily from the fact that most existing SSP approaches in genomics focus on masked language modeling of individual sequences, neglecting the crucial aspect of encoding statistics across multiple sequences. To overcome this challenge, we introduce an innovative deep neural network model, which incorporates collaborative learning between a `student' and a `teacher' subnetwork. In this model, the student subnetwork employs masked learning on nucleotides and progressively adapts its parameters to the teacher subnetwork through an exponential moving average approach. Concurrently, both subnetworks engage in contrastive learning, deriving insights from two augmented representations of the input sequences. This self-distillation process enables our model to effectively assimilate both contextual information from individual sequences and distributional data across the sequence population. We validated our approach with preliminary pretraining using the human reference genome, followed by applying it to 20 downstream inference tasks. The empirical results from these experiments demonstrate that our novel method significantly boosts inference performance across the majority of these tasks. Our code is available at https://github.com/wiedersehne/FinDNA.
EEG-Features for Generalized Deepfake Detection
Authors: Arian Beckmann, Tilman Stephani, Felix Klotzsche, Yonghao Chen, Simon M. Hofmann, Arno Villringer, Michael Gaebler, Vadim Nikulin, Sebastian Bosse, Peter Eisert, Anna Hilsmann
Date: 2024-05-14 00:00:00
Tasks: DeepFake Detection, EEG, Face Swapping

Since the advent of Deepfakes in digital media, the development of robust and reliable detection mechanism is urgently called for. In this study, we explore a novel approach to Deepfake detection by utilizing electroencephalography (EEG) measured from the neural processing of a human participant who viewed and categorized Deepfake stimuli from the FaceForensics++ datset. These measurements serve as input features to a binary support vector classifier, trained to discriminate between real and manipulated facial images. We examine whether EEG data can inform Deepfake detection and also if it can provide a generalized representation capable of identifying Deepfakes beyond the training domain. Our preliminary results indicate that human neural processing signals can be successfully integrated into Deepfake detection frameworks and hint at the potential for a generalized neural representation of artifacts in computer generated faces. Moreover, our study provides next steps towards the understanding of how digital realism is embedded in the human cognitive system, possibly enabling the development of more realistic digital avatars in the future.
Falcon 7b for Software Mention Detection in Scholarly Documents
Authors: AmeerAli Khan, Qusai Ramadan, Cong Yang, Zeyd Boukhers
Date: 2024-05-14 00:00:00

This paper aims to tackle the challenge posed by the increasing integration of software tools in research across various disciplines by investigating the application of Falcon-7b for the detection and classification of software mentions within scholarly texts. Specifically, the study focuses on solving Subtask I of the Software Mention Detection in Scholarly Publications (SOMD), which entails identifying and categorizing software mentions from academic literature. Through comprehensive experimentation, the paper explores different training strategies, including a dual-classifier approach, adaptive sampling, and weighted loss scaling, to enhance detection accuracy while overcoming the complexities of class imbalance and the nuanced syntax of scholarly writing. The findings highlight the benefits of selective labelling and adaptive sampling in improving the model's performance. However, they also indicate that integrating multiple strategies does not necessarily result in cumulative improvements. This research offers insights into the effective application of large language models for specific tasks such as SOMD, underlining the importance of tailored approaches to address the unique challenges presented by academic text analysis.