pwc-archive/papers-with-abstracts huggingface dataset:
Adjustment Identification Distance: A gadjid for Causal Structure Learning
Authors: Leonard Henckel, Theo Würtzen, Sebastian Weichwald
Date: 2024-02-13 00:00:00
Tasks: Causal Discovery

Evaluating graphs learned by causal discovery algorithms is difficult: The number of edges that differ between two graphs does not reflect how the graphs differ with respect to the identifying formulas they suggest for causal effects. We introduce a framework for developing causal distances between graphs which includes the structural intervention distance for directed acyclic graphs as a special case. We use this framework to develop improved adjustment-based distances as well as extensions to completed partially directed acyclic graphs and causal orders. We develop new reachability algorithms to compute the distances efficiently and to prove their low polynomial time complexity. In our package gadjid (open source at https://github.com/CausalDisco/gadjid), we provide implementations of our distances; they are orders of magnitude faster with proven lower time complexity than the structural intervention distance and thereby provide a success metric for causal discovery that scales to graph sizes that were previously prohibitive.
Arbitrary Polynomial Separations in Trainable Quantum Machine Learning
Authors: Eric R. Anschuetz, Xun Gao
Date: 2024-02-13 00:00:00
Tasks: Quantum Machine Learning

Recent theoretical results in quantum machine learning have demonstrated a general trade-off between the expressive power of quantum neural networks (QNNs) and their trainability; as a corollary of these results, practical exponential separations in expressive power over classical machine learning models are believed to be infeasible as such QNNs take a time to train that is exponential in the model size. We here circumvent these negative results by constructing a hierarchy of efficiently trainable QNNs that exhibit unconditionally provable, polynomial memory separations of arbitrary constant degree over classical neural networks -- including state-of-the-art models, such as Transformers -- in performing a classical sequence modeling task. This construction is also computationally efficient, as each unit cell of the introduced class of QNNs only has constant gate complexity. We show that contextuality -- informally, a quantitative notion of semantic ambiguity -- is the source of the expressivity separation, suggesting that other learning tasks with this property may be a natural setting for the use of quantum learning algorithms.
Homomorphism Counts for Graph Neural Networks: All About That Basis
Authors: Emily Jin, Michael Bronstein, İsmail İlkan Ceylan, Matthias Lanzinger
Date: 2024-02-13 00:00:00
Tasks: All

A large body of work has investigated the properties of graph neural networks and identified several limitations, particularly pertaining to their expressive power. Their inability to count certain patterns (e.g., cycles) in a graph lies at the heart of such limitations, since many functions to be learned rely on the ability of counting such patterns. Two prominent paradigms aim to address this limitation by enriching the graph features with subgraph or homomorphism pattern counts. In this work, we show that both of these approaches are sub-optimal in a certain sense and argue for a more fine-grained approach, which incorporates the homomorphism counts of all structures in the ``basis'' of the target pattern. This yields strictly more expressive architectures without incurring any additional overhead in terms of computational complexity compared to existing approaches. We prove a series of theoretical results on node-level and graph-level motif parameters and empirically validate them on standard benchmark datasets.
Faster Repeated Evasion Attacks in Tree Ensembles
Authors: Lorenzo Cascioli, Laurens Devos, Ondřej Kuželka, Jesse Davis
Date: 2024-02-13 00:00:00

Tree ensembles are one of the most widely used model classes. However, these models are susceptible to adversarial examples, i.e., slightly perturbed examples that elicit a misprediction. There has been significant research on designing approaches to construct such examples for tree ensembles. But this is a computationally challenging problem that often must be solved a large number of times (e.g., for all examples in a training set). This is compounded by the fact that current approaches attempt to find such examples from scratch. In contrast, we exploit the fact that multiple similar problems are being solved. Specifically, our approach exploits the insight that adversarial examples for tree ensembles tend to perturb a consistent but relatively small set of features. We show that we can quickly identify this set of features and use this knowledge to speedup constructing adversarial examples.
Mixture of Link Predictors on Graphs
Authors: Li Ma, Haoyu Han, Juanhui Li, Harry Shomer, Hui Liu, Xiaofeng Gao, Jiliang Tang
Date: 2024-02-13 00:00:00
Tasks: Link Prediction, Mixture-of-Experts, Prediction

Link prediction, which aims to forecast unseen connections in graphs, is a fundamental task in graph machine learning. Heuristic methods, leveraging a range of different pairwise measures such as common neighbors and shortest paths, often rival the performance of vanilla Graph Neural Networks (GNNs). Therefore, recent advancements in GNNs for link prediction (GNN4LP) have primarily focused on integrating one or a few types of pairwise information. In this work, we reveal that different node pairs within the same dataset necessitate varied pairwise information for accurate prediction and models that only apply the same pairwise information uniformly could achieve suboptimal performance. As a result, we propose a simple mixture of experts model Link-MoE for link prediction. Link-MoE utilizes various GNNs as experts and strategically selects the appropriate expert for each node pair based on various types of pairwise information. Experimental results across diverse real-world datasets demonstrate substantial performance improvement from Link-MoE. Notably, Link-MoE achieves a relative improvement of 18.71\% on the MRR metric for the Pubmed dataset and 9.59\% on the Hits@100 metric for the ogbl-ppa dataset, compared to the best baselines.
Regret Minimization in Stackelberg Games with Side Information
Authors: Keegan Harris, Zhiwei Steven Wu, Maria-Florina Balcan
Date: 2024-02-13 00:00:00

Algorithms for playing in Stackelberg games have been deployed in real-world domains including airport security, anti-poaching efforts, and cyber-crime prevention. However, these algorithms often fail to take into consideration the additional information available to each player (e.g. traffic patterns, weather conditions, network congestion), which may significantly affect both players' optimal strategies. We formalize such settings as Stackelberg games with side information, in which both players observe an external context before playing. The leader commits to a (context-dependent) strategy, and the follower best-responds to both the leader's strategy and the context. We focus on the online setting in which a sequence of followers arrive over time, and the context may change from round-to-round. In sharp contrast to the non-contextual version, we show that it is impossible for the leader to achieve no-regret in the full adversarial setting. Motivated by this result, we show that no-regret learning is possible in two natural relaxations: the setting in which the sequence of followers is chosen stochastically and the sequence of contexts is adversarial, and the setting in which contexts are stochastic and follower types are adversarial.
Two Tales of Single-Phase Contrastive Hebbian Learning
Authors: Rasmus Kjær Høier, Christopher Zach
Date: 2024-02-13 00:00:00
Tasks: Adversarial Robustness

The search for ``biologically plausible'' learning algorithms has converged on the idea of representing gradients as activity differences. However, most approaches require a high degree of synchronization (distinct phases during learning) and introduce substantial computational overhead, which raises doubts regarding their biological plausibility as well as their potential utility for neuromorphic computing. Furthermore, they commonly rely on applying infinitesimal perturbations (nudges) to output units, which is impractical in noisy environments. Recently it has been shown that by modelling artificial neurons as dyads with two oppositely nudged compartments, it is possible for a fully local learning algorithm named ``dual propagation'' to bridge the performance gap to backpropagation, without requiring separate learning phases or infinitesimal nudging. However, the algorithm has the drawback that its numerical stability relies on symmetric nudging, which may be restrictive in biological and analog implementations. In this work we first provide a solid foundation for the objective underlying the dual propagation method, which also reveals a surprising connection with adversarial robustness. Second, we demonstrate how dual propagation is related to a particular adjoint state method, which is stable regardless of asymmetric nudging.
Generative VS non-Generative Models in Engineering Shape Optimization
Authors: Muhammad Usama, Zahid Masood, Shahroz Khan, Konstantinos Kostas, Panagiotis Kaklis
Date: 2024-02-13 00:00:00
Tasks: Generative Adversarial Network

In this work, we perform a systematic comparison of the effectiveness and efficiency of generative and non-generative models in constructing design spaces for novel and efficient design exploration and shape optimization. We apply these models in the case of airfoil/hydrofoil design and conduct the comparison on the resulting design spaces. A conventional Generative Adversarial Network (GAN) and a state-of-the-art generative model, the Performance-Augmented Diverse Generative Adversarial Network (PaDGAN), are juxtaposed with a linear non-generative model based on the coupling of the Karhunen-Lo\`eve Expansion and a physics-informed Shape Signature Vector (SSV-KLE). The comparison demonstrates that, with an appropriate shape encoding and a physics-augmented design space, non-generative models have the potential to cost-effectively generate high-performing valid designs with enhanced coverage of the design space. In this work, both approaches are applied to two large foil profile datasets comprising real-world and artificial designs generated through either a profile-generating parametric model or deep-learning approach. These datasets are further enriched with integral properties of their members' shapes as well as physics-informed parameters. Our results illustrate that the design spaces constructed by the non-generative model outperform the generative model in terms of design validity, generating robust latent spaces with none or significantly fewer invalid designs when compared to generative models. We aspire that these findings will aid the engineering design community in making informed decisions when constructing designs spaces for shape optimization, as we have show that under certain conditions computationally inexpensive approaches can closely match or even outperform state-of-the art generative models.
Intelligent Diagnosis of Alzheimer's Disease Based on Machine Learning
Authors: Mingyang Li, Hongyu Liu, Yixuan Li, Zejun Wang, Yuan Yuan, Honglin Dai
Date: 2024-02-13 00:00:00
Tasks: Diagnostic

This study is based on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and aims to explore early detection and disease progression in Alzheimer's disease (AD). We employ innovative data preprocessing strategies, including the use of the random forest algorithm to fill missing data and the handling of outliers and invalid data, thereby fully mining and utilizing these limited data resources. Through Spearman correlation coefficient analysis, we identify some features strongly correlated with AD diagnosis. We build and test three machine learning models using these features: random forest, XGBoost, and support vector machine (SVM). Among them, the XGBoost model performs the best in terms of diagnostic performance, achieving an accuracy of 91%. Overall, this study successfully overcomes the challenge of missing data and provides valuable insights into early detection of Alzheimer's disease, demonstrating its unique research value and practical significance.
Can LLMs Learn New Concepts Incrementally without Forgetting?
Authors: Junhao Zheng, Shengjie Qiu, Qianli Ma
Date: 2024-02-13 00:00:00
Tasks: In-Context Learning, Incremental Learning

Large Language Models (LLMs) have achieved remarkable success across various tasks, yet their ability to learn incrementally without forgetting remains underexplored. Incremental learning (IL) is crucial as it enables models to acquire new knowledge while retaining previously learned information, akin to human learning. Existing benchmarks for IL are insufficient due to data leakage issues and the overqualification of LLMs. To address these challenges, we introduce Concept-1K, a novel dataset comprising 1,023 recently emerged concepts across diverse domains. The concepts in Concept-1K are discrete, interpretable units of knowledge that allow for fine-grained analysis of learning and forgetting processes. Using Concept-1K as a testbed, we aim to answer the question: ``Can LLMs learn new concepts incrementally without forgetting like humans?'' Our investigation reveals that LLMs still suffer from catastrophic forgetting and that LoRA, despite fine-tuning fewer parameters, may lead to more forgetting on training data. Additionally, we explore the roles of in-context learning, model scale, buffer size, and pretraining in IL performance. These findings highlight the strengths and limitations of LLMs in IL scenarios and provide a robust benchmark for future research.
Fairness Auditing with Multi-Agent Collaboration
Authors: Martijn de Vos, Akash Dhasade, Jade Garcia Bourrée, Anne-Marie Kermarrec, Erwan Le Merrer, Benoit Rottembourg, Gilles Tredan
Date: 2024-02-13 00:00:00
Tasks: Decision Making, Fairness

Existing work in fairness auditing assumes that each audit is performed independently. In this paper, we consider multiple agents working together, each auditing the same platform for different tasks. Agents have two levers: their collaboration strategy, with or without coordination beforehand, and their strategy for sampling appropriate data points. We theoretically compare the interplay of these levers. Our main findings are that (i) collaboration is generally beneficial for accurate audits, (ii) basic sampling methods often prove to be effective, and (iii) counter-intuitively, extensive coordination on queries often deteriorates audits accuracy as the number of agents increases. Experiments on three large datasets confirm our theoretical results. Our findings motivate collaboration during fairness audits of platforms that use ML models for decision-making.
A PAC-Bayesian Link Between Generalisation and Flat Minima
Authors: Maxime Haddouche, Paul Viallard, Umut Simsekli, Benjamin Guedj
Date: 2024-02-13 00:00:00

Modern machine learning usually involves predictors in the overparametrised setting (number of trained parameters greater than dataset size), and their training yield not only good performances on training data, but also good generalisation capacity. This phenomenon challenges many theoretical results, and remains an open problem. To reach a better understanding, we provide novel generalisation bounds involving gradient terms. To do so, we combine the PAC-Bayes toolbox with Poincar\'e and Log-Sobolev inequalities, avoiding an explicit dependency on dimension of the predictor space. Our results highlight the positive influence of \emph{flat minima} (being minima with a neighbourhood nearly minimising the learning problem as well) on generalisation performances, involving directly the benefits of the optimisation phase.
Provable Traffic Rule Compliance in Safe Reinforcement Learning on the Open Sea
Authors: Hanna Krasowski, Matthias Althoff
Date: 2024-02-13 00:00:00
Tasks: Autonomous Vehicles, Reinforcement Learning (RL), Safe Reinforcement Learning

For safe operation, autonomous vehicles have to obey traffic rules that are set forth in legal documents formulated in natural language. Temporal logic is a suitable concept to formalize such traffic rules. Still, temporal logic rules often result in constraints that are hard to solve using optimization-based motion planners. Reinforcement learning (RL) is a promising method to find motion plans for autonomous vehicles. However, vanilla RL algorithms are based on random exploration and do not automatically comply with traffic rules. Our approach accomplishes guaranteed rule-compliance by integrating temporal logic specifications into RL. Specifically, we consider the application of vessels on the open sea, which must adhere to the Convention on the International Regulations for Preventing Collisions at Sea (COLREGS). To efficiently synthesize rule-compliant actions, we combine predicates based on set-based prediction with a statechart representing our formalized rules and their priorities. Action masking then restricts the RL agent to this set of verified rule-compliant actions. In numerical evaluations on critical maritime traffic situations, our agent always complies with the formalized legal rules and never collides while achieving a high goal-reaching rate during training and deployment. In contrast, vanilla and traffic rule-informed RL agents frequently violate traffic rules and collide even after training.
Sparsity via Sparse Group $k$-max Regularization
Authors: Qinghua Tao, Xiangming Xi, Jun Xu, Johan A. K. Suykens
Date: 2024-02-13 00:00:00

For the linear inverse problem with sparsity constraints, the $l_0$ regularized problem is NP-hard, and existing approaches either utilize greedy algorithms to find almost-optimal solutions or to approximate the $l_0$ regularization with its convex counterparts. In this paper, we propose a novel and concise regularization, namely the sparse group $k$-max regularization, which can not only simultaneously enhance the group-wise and in-group sparsity, but also casts no additional restraints on the magnitude of variables in each group, which is especially important for variables at different scales, so that it approximate the $l_0$ norm more closely. We also establish an iterative soft thresholding algorithm with local optimality conditions and complexity analysis provided. Through numerical experiments on both synthetic and real-world datasets, we verify the effectiveness and flexibility of the proposed method.
Revealing Decurve Flows for Generalized Graph Propagation
Authors: Chen Lin, Liheng Ma, Yiyang Chen, Wanli Ouyang, Michael M. Bronstein, Philip H. S. Torr
Date: 2024-02-13 00:00:00
Tasks: Graph Learning

This study addresses the limitations of the traditional analysis of message-passing, central to graph learning, by defining {\em \textbf{generalized propagation}} with directed and weighted graphs. The significance manifest in two ways. \textbf{Firstly}, we propose {\em Generalized Propagation Neural Networks} (\textbf{GPNNs}), a framework that unifies most propagation-based graph neural networks. By generating directed-weighted propagation graphs with adjacency function and connectivity function, GPNNs offer enhanced insights into attention mechanisms across various graph models. We delve into the trade-offs within the design space with empirical experiments and emphasize the crucial role of the adjacency function for model expressivity via theoretical analysis. \textbf{Secondly}, we propose the {\em Continuous Unified Ricci Curvature} (\textbf{CURC}), an extension of celebrated {\em Ollivier-Ricci Curvature} for directed and weighted graphs. Theoretically, we demonstrate that CURC possesses continuity, scale invariance, and a lower bound connection with the Dirichlet isoperimetric constant validating bottleneck analysis for GPNNs. We include a preliminary exploration of learned propagation patterns in datasets, a first in the field. We observe an intriguing ``{\em \textbf{decurve flow}}'' - a curvature reduction during training for models with learnable propagation, revealing the evolution of propagation over time and a deeper connection to over-smoothing and bottleneck trade-off.
ROSpace: Intrusion Detection Dataset for a ROS2-Based Cyber-Physical System
Authors: Tommaso Puccetti, Simone Nardi, Cosimo Cinquilli, Tommaso Zoppi, Andrea Ceccarelli
Date: 2024-02-13 00:00:00
Tasks: Intrusion Detection, Time Series

Most of the intrusion detection datasets to research machine learning-based intrusion detection systems (IDSs) are devoted to cyber-only systems, and they typically collect data from one architectural layer. Additionally, often the attacks are generated in dedicated attack sessions, without reproducing the realistic alternation and overlap of normal and attack actions. We present a dataset for intrusion detection by performing penetration testing on an embedded cyber-physical system built over Robot Operating System 2 (ROS2). Features are monitored from three architectural layers: the Linux operating system, the network, and the ROS2 services. The dataset is structured as a time series and describes the expected behavior of the system and its response to ROS2-specific attacks: it repeatedly alternates periods of attack-free operation with periods when a specific attack is being performed. Noteworthy, this allows measuring the time to detect an attacker and the number of malicious activities performed before detection. Also, it allows training an intrusion detector to minimize both, by taking advantage of the numerous alternating periods of normal and attack operations.
Subgraphormer: Unifying Subgraph GNNs and Graph Transformers via Graph Products
Authors: Guy Bar-Shalom, Beatrice Bevilacqua, Haggai Maron
Date: 2024-02-13 00:00:00

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer, which combines the enhanced expressive power, message-passing mechanisms, and aggregation schemes from Subgraph GNNs with attention and positional encodings, arguably the most important components in Graph Transformers. Our method is based on an intriguing new connection we reveal between Subgraph GNNs and product graphs, suggesting that Subgraph GNNs can be formulated as Message Passing Neural Networks (MPNNs) operating on a product of the graph with itself. We use this formulation to design our architecture: first, we devise an attention mechanism based on the connectivity of the product graph. Following this, we propose a novel and efficient positional encoding scheme for Subgraph GNNs, which we derive as a positional encoding for the product graph. Our experimental results demonstrate significant performance improvements over both Subgraph GNNs and Graph Transformers on a wide range of datasets.