pwc-archive/papers-with-abstracts huggingface dataset:
Boosting Graph Pooling with Persistent Homology
Authors: Chaolong Ying, Xinjian Zhao, Tianshu Yu
Date: 2024-02-26 00:00:00

Recently, there has been an emerging trend to integrate persistent homology (PH) into graph neural networks (GNNs) to enrich expressive power. However, naively plugging PH features into GNN layers always results in marginal improvement with low interpretability. In this paper, we investigate a novel mechanism for injecting global topological invariance into pooling layers using PH, motivated by the observation that filtration operation in PH naturally aligns graph pooling in a cut-off manner. In this fashion, message passing in the coarsened graph acts along persistent pooled topology, leading to improved performance. Experimentally, we apply our mechanism to a collection of graph pooling methods and observe consistent and substantial performance gain over several popular datasets, demonstrating its wide applicability and flexibility.
A Provably Accurate Randomized Sampling Algorithm for Logistic Regression
Authors: Agniva Chowdhury, Pradeep Ramuhalli
Date: 2024-02-26 00:00:00
Tasks: Binary Classification, regression

In statistics and machine learning, logistic regression is a widely-used supervised learning technique primarily employed for binary classification tasks. When the number of observations greatly exceeds the number of predictor variables, we present a simple, randomized sampling-based algorithm for logistic regression problem that guarantees high-quality approximations to both the estimated probabilities and the overall discrepancy of the model. Our analysis builds upon two simple structural conditions that boil down to randomized matrix multiplication, a fundamental and well-understood primitive of randomized numerical linear algebra. We analyze the properties of estimated probabilities of logistic regression when leverage scores are used to sample observations, and prove that accurate approximations can be achieved with a sample whose size is much smaller than the total number of observations. To further validate our theoretical findings, we conduct comprehensive empirical evaluations. Overall, our work sheds light on the potential of using randomized sampling approaches to efficiently approximate the estimated probabilities in logistic regression, offering a practical and computationally efficient solution for large-scale datasets.
Achieving Instance-dependent Sample Complexity for Constrained Markov Decision Process
Authors: Jiashuo Jiang, Yinyu Ye
Date: 2024-02-26 00:00:00
Tasks: Decision Making

We consider the reinforcement learning problem for the constrained Markov decision process (CMDP), which plays a central role in satisfying safety or resource constraints in sequential learning and decision-making. In this problem, we are given finite resources and a MDP with unknown transition probabilities. At each stage, we take an action, collecting a reward and consuming some resources, all assumed to be unknown and need to be learned over time. In this work, we take the first step towards deriving optimal problem-dependent guarantees for the CMDP problems. We derive a logarithmic regret bound, which translates into a $O(\frac{1}{\Delta\cdot\epsilon}\cdot\log^2(1/\epsilon))$ sample complexity bound, with $\Delta$ being a problem-dependent parameter, yet independent of $\epsilon$. Our sample complexity bound improves upon the state-of-art $O(1/\epsilon^2)$ sample complexity for CMDP problems established in the previous literature, in terms of the dependency on $\epsilon$. To achieve this advance, we develop a new framework for analyzing CMDP problems. To be specific, our algorithm operates in the primal space and we resolve the primal LP for the CMDP problem at each period in an online manner, with adaptive remaining resource capacities. The key elements of our algorithm are: i) a characterization of the instance hardness via LP basis, ii) an eliminating procedure that identifies one optimal basis of the primal LP, and; iii) a resolving procedure that is adaptive to the remaining resources and sticks to the characterized optimal basis.
Conformalized Selective Regression
Authors: Anna Sokol, Nuno Moniz, Nitesh Chawla
Date: 2024-02-26 00:00:00
Tasks: Conformal Prediction, Fairness, Prediction, regression

Should prediction models always deliver a prediction? In the pursuit of maximum predictive performance, critical considerations of reliability and fairness are often overshadowed, particularly when it comes to the role of uncertainty. Selective regression, also known as the "reject option," allows models to abstain from predictions in cases of considerable uncertainty. Initially proposed seven decades ago, approaches to selective regression have mostly focused on distribution-based proxies for measuring uncertainty, particularly conditional variance. However, this focus neglects the significant influence of model-specific biases on a model's performance. In this paper, we propose a novel approach to selective regression by leveraging conformal prediction, which provides grounded confidence measures for individual predictions based on model-specific biases. In addition, we propose a standardized evaluation framework to allow proper comparison of selective regression approaches. Via an extensive experimental approach, we demonstrate how our proposed approach, conformalized selective regression, demonstrates an advantage over multiple state-of-the-art baselines.
Against Filter Bubbles: Diversified Music Recommendation via Weighted Hypergraph Embedding Learning
Authors: Chaoguang Luo, Liuying Wen, Yong Qin, Liangwei Yang, Zhineng Hu, Philip S. Yu
Date: 2024-02-26 00:00:00
Tasks: Diversity, hypergraph embedding, Music Recommendation, Recommendation Systems

Recommender systems serve a dual purpose for users: sifting out inappropriate or mismatched information while accurately identifying items that align with their preferences. Numerous recommendation algorithms are designed to provide users with a personalized array of information tailored to their preferences. Nevertheless, excessive personalization can confine users within a "filter bubble". Consequently, achieving the right balance between accuracy and diversity in recommendations is a pressing concern. To address this challenge, exemplified by music recommendation, we introduce the Diversified Weighted Hypergraph music Recommendation algorithm (DWHRec). In the DWHRec algorithm, the initial connections between users and listened tracks are represented by a weighted hypergraph. Simultaneously, associations between artists, albums and tags with tracks are also appended to the hypergraph. To explore users' latent preferences, a hypergraph-based random walk embedding method is applied to the constructed hypergraph. In our investigation, accuracy is gauged by the alignment between the user and the track, whereas the array of recommended track types measures diversity. We rigorously compared DWHRec against seven state-of-the-art recommendation algorithms using two real-world music datasets. The experimental results validate DWHRec as a solution that adeptly harmonizes accuracy and diversity, delivering a more enriched musical experience. Beyond music recommendation, DWHRec can be extended to cater to other scenarios with similar data structures.
A Comparison of Deep Learning Models for Proton Background Rejection with the AMS Electromagnetic Calorimeter
Authors: Raheem Karim Hashmani, Emre Akbaş, Melahat Bilge Demirköz
Date: 2024-02-26 00:00:00

The Alpha Magnetic Spectrometer (AMS) is a high-precision particle detector onboard the International Space Station containing six different subdetectors. The Transition Radiation Detector and Electromagnetic Calorimeter (ECAL) are used to separate electrons/positrons from the abundant cosmic-ray proton background. The positron flux measured in space by AMS falls with a power law which unexpectedly softens above 25 GeV and then hardens above 280 GeV. Several theoretical models try to explain these phenomena, and a purer measurement of positrons at higher energies is needed to help test them. The currently used methods to reject the proton background at high energies involve extrapolating shower features from the ECAL to use as inputs for boosted decision tree and likelihood classifiers. We present a new approach for particle identification with the AMS ECAL using deep learning (DL). By taking the energy deposition within all the ECAL cells as an input and treating them as pixels in an image-like format, we train an MLP, a CNN, and multiple ResNets and Convolutional vision Transformers (CvTs) as shower classifiers. Proton rejection performance is evaluated using Monte Carlo (MC) events and ISS data separately. For MC, using events with a reconstructed energy between 0.2 - 2 TeV, at 90% electron accuracy, the proton rejection power of our CvT model is more than 5 times that of the other DL models. Similarly, for ISS data with a reconstructed energy between 50 - 70 GeV, the proton rejection power of our CvT model is more than 2.5 times that of the other DL models.
Learning Translations: Emergent Communication Pretraining for Cooperative Language Acquisition
Authors: Dylan Cope, Peter McBurney
Date: 2024-02-26 00:00:00
Tasks: Imitation Learning, Language Acquisition

In Emergent Communication (EC) agents learn to communicate with one another, but the protocols that they develop are specialised to their training community. This observation led to research into Zero-Shot Coordination (ZSC) for learning communication strategies that are robust to agents not encountered during training. However, ZSC typically assumes that no prior data is available about the agents that will be encountered in the zero-shot setting. In many cases, this presents an unnecessarily hard problem and rules out communication via preestablished conventions. We propose a novel AI challenge called a Cooperative Language Acquisition Problem (CLAP) in which the ZSC assumptions are relaxed by allowing a 'joiner' agent to learn from a dataset of interactions between agents in a target community. We propose and compare two methods for solving CLAPs: Imitation Learning (IL), and Emergent Communication pretraining and Translation Learning (ECTL), in which an agent is trained in self-play with EC and then learns from the data to translate between the emergent protocol and the target community's protocol.
Language Models for Code Completion: A Practical Evaluation
Authors: Maliheh Izadi, Jonathan Katzy, Tim van Dam, Marc Otten, Razvan Mihai Popescu, Arie van Deursen
Date: 2024-02-25 00:00:00
Tasks: Code Completion, valid

Transformer-based language models for automatic code completion have shown great promise so far, yet the evaluation of these models rarely uses real data. This study provides both quantitative and qualitative assessments of three public code language models when completing real-world code. We first developed an open-source IDE extension, Code4Me, for the online evaluation of the models. We collected real auto-completion usage data for over a year from more than 1200 users, resulting in over 600K valid completions. These models were then evaluated using six standard metrics across twelve programming languages. Next, we conducted a qualitative study of 1690 real-world completion requests to identify the reasons behind the poor model performance. A comparative analysis of the models' performance in online and offline settings was also performed, using benchmark synthetic datasets and two masking strategies. Our findings suggest that while developers utilize code completion across various languages, the best results are achieved for mainstream languages such as Python and Java. InCoder outperformed the other models across all programming languages, highlighting the significance of training data and objectives. Our study also revealed that offline evaluations do not accurately reflect real-world scenarios. Upon qualitative analysis of the model's predictions, we found that 66.3% of failures were due to the models' limitations, 24.4% occurred due to inappropriate model usage in a development context, and 9.3% were valid requests that developers overwrote. Given these findings, we propose several strategies to overcome the current limitations. These include refining training objectives, improving resilience to typographical errors, adopting hybrid approaches, and enhancing implementations and usability.
Combining Machine Learning with Computational Fluid Dynamics using OpenFOAM and SmartSim
Authors: Tomislav Maric, Mohammed Elwardi Fadeli, Alessandro Rigazzi, Andrew Shao, Andre Weiner
Date: 2024-02-25 00:00:00

Combining machine learning (ML) with computational fluid dynamics (CFD) opens many possibilities for improving simulations of technical and natural systems. However, CFD+ML algorithms require exchange of data, synchronization, and calculation on heterogeneous hardware, making their implementation for large-scale problems exceptionally challenging. We provide an effective and scalable solution to developing CFD+ML algorithms using open source software OpenFOAM and SmartSim. SmartSim provides an Orchestrator that significantly simplifies the programming of CFD+ML algorithms and a Redis database that ensures highly scalable data exchange between ML and CFD clients. We show how to leverage SmartSim to effectively couple different segments of OpenFOAM with ML, including pre/post-processing applications, solvers, function objects, and mesh motion solvers. We additionally provide an OpenFOAM sub-module with examples that can be used as starting points for real-world applications in CFD+ML.
No Free Lunch in LLM Watermarking: Trade-offs in Watermarking Design Choices
Authors: Qi Pang, Shengyuan Hu, Wenting Zheng, Virginia Smith
Date: 2024-02-25 00:00:00
Tasks: Navigate

Advances in generative models have made it possible for AI-generated text, code, and images to mirror human-generated content in many applications. Watermarking, a technique that aims to embed information in the output of a model to verify its source, is useful for mitigating the misuse of such AI-generated content. However, we show that common design choices in LLM watermarking schemes make the resulting systems surprisingly susceptible to attack -- leading to fundamental trade-offs in robustness, utility, and usability. To navigate these trade-offs, we rigorously study a set of simple yet effective attacks on common watermarking systems, and propose guidelines and defenses for LLM watermarking in practice.
Deep Neural Network Initialization with Sparsity Inducing Activations
Authors: Ilan Price, Nicholas Daultry Ball, Samuel C. H. Lam, Adam C. Jones, Jared Tanner
Date: 2024-02-25 00:00:00
Tasks: Computational Efficiency

Inducing and leveraging sparse activations during training and inference is a promising avenue for improving the computational efficiency of deep networks, which is increasingly important as network sizes continue to grow and their application becomes more widespread. Here we use the large width Gaussian process limit to analyze the behaviour, at random initialization, of nonlinear activations that induce sparsity in the hidden outputs. A previously unreported form of training instability is proven for arguably two of the most natural candidates for hidden layer sparsification; those being a shifted ReLU ($\phi(x)=\max(0, x-\tau)$ for $\tau\ge 0$) and soft thresholding ($\phi(x)=0$ for $|x|\le\tau$ and $x-\text{sign}(x)\tau$ for $|x|>\tau$). We show that this instability is overcome by clipping the nonlinear activation magnitude, at a level prescribed by the shape of the associated Gaussian process variance map. Numerical experiments verify the theory and show that the proposed magnitude clipped sparsifying activations can be trained with training and test fractional sparsity as high as 85\% while retaining close to full accuracy.
Distribution-Free Fair Federated Learning with Small Samples
Authors: Qichuan Yin, Zexian Wang, Junzhou Huang, Huaxiu Yao, Linjun Zhang
Date: 2024-02-25 00:00:00
Tasks: Fairness, Federated Learning

As federated learning gains increasing importance in real-world applications due to its capacity for decentralized data training, addressing fairness concerns across demographic groups becomes critically important. However, most existing machine learning algorithms for ensuring fairness are designed for centralized data environments and generally require large-sample and distributional assumptions, underscoring the urgent need for fairness techniques adapted for decentralized and heterogeneous systems with finite-sample and distribution-free guarantees. To address this issue, this paper introduces FedFaiREE, a post-processing algorithm developed specifically for distribution-free fair learning in decentralized settings with small samples. Our approach accounts for unique challenges in decentralized environments, such as client heterogeneity, communication costs, and small sample sizes. We provide rigorous theoretical guarantees for both fairness and accuracy, and our experimental results further provide robust empirical validation for our proposed method.
Consensus learning: A novel decentralised ensemble learning paradigm
Authors: Horia Magureanu, Naïri Usher
Date: 2024-02-25 00:00:00
Tasks: Distributed Computing, Ensemble Learning

The widespread adoption of large-scale machine learning models in recent years highlights the need for distributed computing for efficiency and scalability. This work introduces a novel distributed machine learning paradigm -- \emph{consensus learning} -- which combines classical ensemble methods with consensus protocols deployed in peer-to-peer systems. These algorithms consist of two phases: first, participants develop their models and submit predictions for any new data inputs; second, the individual predictions are used as inputs for a communication phase, which is governed by a consensus protocol. Consensus learning ensures user data privacy, while also inheriting the safety measures against Byzantine attacks from the underlying consensus mechanism. We provide a detailed theoretical analysis for a particular consensus protocol and compare the performance of the consensus learning ensemble with centralised ensemble learning algorithms. The discussion is supplemented by various numerical simulations, which describe the robustness of the algorithms against Byzantine participants.
A VAE-based Framework for Learning Multi-Level Neural Granger-Causal Connectivity
Authors: Jiahe Lin, Huitian Lei, George Michailidis
Date: 2024-02-25 00:00:00
Tasks: Time Series

Granger causality has been widely used in various application domains to capture lead-lag relationships amongst the components of complex dynamical systems, and the focus in extant literature has been on a single dynamical system. In certain applications in macroeconomics and neuroscience, one has access to data from a collection of related such systems, wherein the modeling task of interest is to extract the shared common structure that is embedded across them, as well as to identify the idiosyncrasies within individual ones. This paper introduces a Variational Autoencoder (VAE) based framework that jointly learns Granger-causal relationships amongst components in a collection of related-yet-heterogeneous dynamical systems, and handles the aforementioned task in a principled way. The performance of the proposed framework is evaluated on several synthetic data settings and benchmarked against existing approaches designed for individual system learning. The method is further illustrated on a real dataset involving time series data from a neurophysiological experiment and produces interpretable results.
DeepForge: Leveraging AI for Microstructural Control in Metal Forming via Model Predictive Control
Authors: Jan Petrik, Markus Bambach
Date: 2024-02-25 00:00:00
Tasks: Model Predictive Control

This study presents a novel method for microstructure control in closed die hot forging that combines Model Predictive Control (MPC) with a developed machine learning model called DeepForge. DeepForge uses an architecture that combines 1D convolutional neural networks and gated recurrent units. It uses surface temperature measurements of a workpiece as input to predict microstructure changes during forging. The paper also details DeepForge's architecture and the finite element simulation model used to generate the data set, using a three-stroke forging process. The results demonstrate DeepForge's ability to predict microstructure with a mean absolute error of 0.4$\pm$0.3%. In addition, the study explores the use of MPC to adjust inter-stroke wait times, effectively counteracting temperature disturbances to achieve a target grain size of less than 35 microns within a specific 2D region of the workpiece. These results are then verified experimentally, demonstrating a significant step towards improved control and quality in forging processes where temperature can be used as an additional degree of freedom in the process.
Informed Meta-Learning
Authors: Katarzyna Kobalczyk, Mihaela van der Schaar
Date: 2024-02-25 00:00:00
Tasks: Meta-Learning

In noisy and low-data regimes prevalent in real-world applications, a key challenge of machine learning lies in effectively incorporating inductive biases that promote data efficiency and robustness. Meta-learning and informed ML stand out as two approaches for incorporating prior knowledge into ML pipelines. While the former relies on a purely data-driven source of priors, the latter is guided by prior domain knowledge. In this paper, we formalise a hybrid paradigm, informed meta-learning, facilitating the incorporation of priors from unstructured knowledge representations, such as natural language; thus, unlocking complementarity in cross-task knowledge sharing of humans and machines. We establish the foundational components of informed meta-learning and present a concrete instantiation of this framework--the Informed Neural Process. Through a series of experiments, we demonstrate the potential benefits of informed meta-learning in improving data efficiency, robustness to observational noise and task distribution shifts.
Beyond Spatio-Temporal Representations: Evolving Fourier Transform for Temporal Graphs
Authors: Anson Bastos, Kuldeep Singh, Abhishek Nadgeri, Manish Singh, Toyotaro Suzumura
Date: 2024-02-25 00:00:00

We present the Evolving Graph Fourier Transform (EFT), the first invertible spectral transform that captures evolving representations on temporal graphs. We motivate our work by the inadequacy of existing methods for capturing the evolving graph spectra, which are also computationally expensive due to the temporal aspect along with the graph vertex domain. We view the problem as an optimization over the Laplacian of the continuous time dynamic graph. Additionally, we propose pseudo-spectrum relaxations that decompose the transformation process, making it highly computationally efficient. The EFT method adeptly captures the evolving graph's structural and positional properties, making it effective for downstream tasks on evolving graphs. Hence, as a reference implementation, we develop a simple neural model induced with EFT for capturing evolving graph spectra. We empirically validate our theoretical findings on a number of large-scale and standard temporal graph benchmarks and demonstrate that our model achieves state-of-the-art performance.