pwc-archive/papers-with-abstracts huggingface dataset:
Formation of Representations in Neural Networks
Authors: Liu Ziyin, Isaac Chuang, Tomer Galanti, Tomaso Poggio
Date: 2024-10-03 00:00:00

Understanding neural representations will help open the black box of neural networks and advance our scientific understanding of modern AI systems. However, how complex, structured, and transferable representations emerge in modern neural networks has remained a mystery. Building on previous results, we propose the Canonical Representation Hypothesis (CRH), which posits a set of six alignment relations to universally govern the formation of representations in most hidden layers of a neural network. Under the CRH, the latent representations (R), weights (W), and neuron gradients (G) become mutually aligned during training. This alignment implies that neural networks naturally learn compact representations, where neurons and weights are invariant to task-irrelevant transformations. We then show that the breaking of CRH leads to the emergence of reciprocal power-law relations between R, W, and G, which we refer to as the Polynomial Alignment Hypothesis (PAH). We present a minimal-assumption theory proving that the balance between gradient noise and regularization is crucial for the emergence of the canonical representation. The CRH and PAH lead to an exciting possibility of unifying major key deep learning phenomena, including neural collapse and the neural feature ansatz, in a single framework.
Towards Universal Certified Robustness with Multi-Norm Training
Authors: Enyi Jiang, David S. Cheung, Gagandeep Singh
Date: 2024-10-03 00:00:00

Existing certified training methods can only train models to be robust against a certain perturbation type (e.g. $l_\infty$ or $l_2$). However, an $l_\infty$ certifiably robust model may not be certifiably robust against $l_2$ perturbation (and vice versa) and also has low robustness against other perturbations (e.g. geometric and patch transformation). By constructing a theoretical framework to analyze and mitigate the tradeoff, we propose the first multi-norm certified training framework \textbf{CURE}, consisting of several multi-norm certified training methods, to attain better \emph{union robustness} when training from scratch or fine-tuning a pre-trained certified model. Inspired by our theoretical findings, we devise bound alignment and connect natural training with certified training for better union robustness. Compared with SOTA-certified training, \textbf{CURE} improves union robustness to $32.0\%$ on MNIST, $25.8\%$ on CIFAR-10, and $10.6\%$ on TinyImagenet across different epsilon values. It leads to better generalization on a diverse set of challenging unseen geometric and patch perturbations to $6.8\%$ and $16.0\%$ on CIFAR-10. Overall, our contributions pave a path towards \textit{universal certified robustness}.
Q-SCALE: Quantum computing-based Sensor Calibration for Advanced Learning and Efficiency
Authors: Lorenzo Bergadano, Andrea Ceschini, Pietro Chiavassa, Edoardo Giusto, Bartolomeo Montrucchio, Massimo Panella, Antonello Rosato
Date: 2024-10-03 00:00:00
Tasks: Hyperparameter Optimization, Quantum Machine Learning

In a world burdened by air pollution, the integration of state-of-the-art sensor calibration techniques utilizing Quantum Computing (QC) and Machine Learning (ML) holds promise for enhancing the accuracy and efficiency of air quality monitoring systems in smart cities. This article investigates the process of calibrating inexpensive optical fine-dust sensors through advanced methodologies such as Deep Learning (DL) and Quantum Machine Learning (QML). The objective of the project is to compare four sophisticated algorithms from both the classical and quantum realms to discern their disparities and explore possible alternative approaches to improve the precision and dependability of particulate matter measurements in urban air quality surveillance. Classical Feed-Forward Neural Networks (FFNN) and Long Short-Term Memory (LSTM) models are evaluated against their quantum counterparts: Variational Quantum Regressors (VQR) and Quantum LSTM (QLSTM) circuits. Through meticulous testing, including hyperparameter optimization and cross-validation, the study assesses the potential of quantum models to refine calibration performance. Our analysis shows that: the FFNN model achieved superior calibration accuracy on the test set compared to the VQR model in terms of lower L1 loss function (2.92 vs 4.81); the QLSTM slightly outperformed the LSTM model (loss on the test set: 2.70 vs 2.77), despite using fewer trainable weights (66 vs 482).
Finite-Sample Analysis of the Monte Carlo Exploring Starts Algorithm for Reinforcement Learning
Authors: Suei-Wen Chen, Keith Ross, Pierre Youssef
Date: 2024-10-03 00:00:00

Monte Carlo Exploring Starts (MCES), which aims to learn the optimal policy using only sample returns, is a simple and natural algorithm in reinforcement learning which has been shown to converge under various conditions. However, the convergence rate analysis for MCES-style algorithms in the form of sample complexity has received very little attention. In this paper we develop a finite sample bound for a modified MCES algorithm which solves the stochastic shortest path problem. To this end, we prove a novel result on the convergence rate of the policy iteration algorithm. This result implies that with probability at least $1-\delta$, the algorithm returns an optimal policy after $\tilde{O}(SAK^3\log^3\frac{1}{\delta})$ sampled episodes, where $S$ and $A$ denote the number of states and actions respectively, $K$ is a proxy for episode length, and $\tilde{O}$ hides logarithmic factors and constants depending on the rewards of the environment that are assumed to be known.
DecTrain: Deciding When to Train a Monocular Depth DNN Online
Authors: Zih-Sing Fu, Soumya Sudhakar, Sertac Karaman, Vivienne Sze
Date: 2024-10-03 00:00:00

Deep neural networks (DNNs) can deteriorate in accuracy when deployment data differs from training data. While performing online training at all timesteps can improve accuracy, it is computationally expensive. We propose DecTrain, a new algorithm that decides when to train a monocular depth DNN online using self-supervision with low overhead. To make the decision at each timestep, DecTrain compares the cost of training with the predicted accuracy gain. We evaluate DecTrain on out-of-distribution data, and find DecTrain maintains accuracy compared to online training at all timesteps, while training only 44% of the time on average. We also compare the recovery of a low inference cost DNN using DecTrain and a more generalizable high inference cost DNN on various sequences. DecTrain recovers the majority (97%) of the accuracy gain of online training at all timesteps while reducing computation compared to the high inference cost DNN which recovers only 66%. With an even smaller DNN, we achieve 89% recovery while reducing computation by 56%. DecTrain enables low-cost online training for a smaller DNN to have competitive accuracy with a larger, more generalizable DNN at a lower overall computational cost.
Optimization, Isoperimetric Inequalities, and Sampling via Lyapunov Potentials
Authors: August Y. Chen, Karthik Sridharan
Date: 2024-10-03 00:00:00

In this paper, we prove that optimizability of any F using Gradient Flow from all initializations implies a Poincar\'e Inequality for Gibbs measures mu_{beta} = e^{-\beta F}/Z at low temperature. In particular, under mild regularity assumptions on the convergence rate of Gradient Flow, we establish that mu_{beta} satisfies a Poincar\'e Inequality with constant O(C'+1/beta) for beta >= Omega(d), where C' is the Poincar\'e constant of mu_{beta} restricted to a neighborhood of the global minimizers of F. Under an additional mild condition on F, we show that mu_{beta} satisfies a Log-Sobolev Inequality with constant O(S beta C') where S denotes the second moment of mu_{beta}. Here asymptotic notation hides F-dependent parameters. At a high level, this establishes that optimizability via Gradient Flow from every initialization implies a Poincar\'e and Log-Sobolev Inequality for the low-temperature Gibbs measure, which in turn imply sampling from all initializations. Analogously, we establish that under the same assumptions, if F can be initialized from everywhere except some set S, then mu_{beta} satisfies a Weak Poincar\'e Inequality with parameters (C', mu_{beta}(S)) for \beta = Omega(d). At a high level, this shows while optimizability from 'most' initializations implies a Weak Poincar\'e Inequality, which in turn implies sampling from suitable warm starts. Our regularity assumptions are mild and as a consequence, we show we can efficiently sample from several new natural and interesting classes of non-log-concave densities, an important setting with relatively few examples. As another corollary, we obtain efficient discrete-time sampling results for log-concave measures satisfying milder regularity conditions than smoothness, similar to Lehec (2023).
Learning Optimal Control and Dynamical Structure of Global Trajectory Search Problems with Diffusion Models
Authors: Jannik Graebner, Anjian Li, Amlan Sinha, Ryne Beeson
Date: 2024-10-03 00:00:00

Spacecraft trajectory design is a global search problem, where previous work has revealed specific solution structures that can be captured with data-driven methods. This paper explores two global search problems in the circular restricted three-body problem: hybrid cost function of minimum fuel/time-of-flight and transfers to energy-dependent invariant manifolds. These problems display a fundamental structure either in the optimal control profile or the use of dynamical structures. We build on our prior generative machine learning framework to apply diffusion models to learn the conditional probability distribution of the search problem and analyze the model's capability to capture these structures.
Comparison of Autoencoder Encodings for ECG Representation in Downstream Prediction Tasks
Authors: Christopher J. Harvey, Sumaiya Shomaji, Zijun Yao, Amit Noheria
Date: 2024-10-03 00:00:00

The electrocardiogram (ECG) is an inexpensive and widely available tool for cardiovascular assessment. Despite its standardized format and small file size, the high complexity and inter-individual variability of ECG signals (typically a 60,000-size vector) make it challenging to use in deep learning models, especially when only small datasets are available. This study addresses these challenges by exploring feature generation methods from representative beat ECGs, focusing on Principal Component Analysis (PCA) and Autoencoders to reduce data complexity. We introduce three novel Variational Autoencoder (VAE) variants: Stochastic Autoencoder (SAE), Annealed beta-VAE (Abeta-VAE), and cyclical beta-VAE (Cbeta-VAE), and compare their effectiveness in maintaining signal fidelity and enhancing downstream prediction tasks. The Abeta-VAE achieved superior signal reconstruction, reducing the mean absolute error (MAE) to 15.7 plus-minus 3.2 microvolts, which is at the level of signal noise. Moreover, the SAE encodings, when combined with ECG summary features, improved the prediction of reduced Left Ventricular Ejection Fraction (LVEF), achieving an area under the receiver operating characteristic curve (AUROC) of 0.901. This performance nearly matches the 0.910 AUROC of state-of-the-art CNN models but requires significantly less data and computational resources. Our findings demonstrate that these VAE encodings are not only effective in simplifying ECG data but also provide a practical solution for applying deep learning in contexts with limited-scale labeled training data.
On Expert Estimation in Hierarchical Mixture of Experts: Beyond Softmax Gating Functions
Authors: Huy Nguyen, Xing Han, Carl William Harris, Suchi Saria, Nhat Ho
Date: 2024-10-03 00:00:00
Tasks: image-classification, Image Classification, Mixture-of-Experts

With the growing prominence of the Mixture of Experts (MoE) architecture in developing large-scale foundation models, we investigate the Hierarchical Mixture of Experts (HMoE), a specialized variant of MoE that excels in handling complex inputs and improving performance on targeted tasks. Our investigation highlights the advantages of using varied gating functions, moving beyond softmax gating within HMoE frameworks. We theoretically demonstrate that applying tailored gating functions to each expert group allows HMoE to achieve robust results, even when optimal gating functions are applied only at select hierarchical levels. Empirical validation across diverse scenarios supports these theoretical claims. This includes large-scale multimodal tasks, image classification, and latent domain discovery and prediction tasks, where our modified HMoE models show great performance improvements.
Solving Reach-Avoid-Stay Problems Using Deep Deterministic Policy Gradients
Authors: Gabriel Chenevert, Jingqi Li, Achyuta kannan, Sangjae Bae, Donggun Lee
Date: 2024-10-03 00:00:00
Tasks: Reinforcement Learning (RL)

Reach-Avoid-Stay (RAS) optimal control enables systems such as robots and air taxis to reach their targets, avoid obstacles, and stay near the target. However, current methods for RAS often struggle with handling complex, dynamic environments and scaling to high-dimensional systems. While reinforcement learning (RL)-based reachability analysis addresses these challenges, it has yet to tackle the RAS problem. In this paper, we propose a two-step deep deterministic policy gradient (DDPG) method to extend RL-based reachability method to solve RAS problems. First, we train a function that characterizes the maximal robust control invariant set within the target set, where the system can safely stay, along with its corresponding policy. Second, we train a function that defines the set of states capable of safely reaching the robust control invariant set, along with its corresponding policy. We prove that this method results in the maximal robust RAS set in the absence of training errors and demonstrate that it enables RAS in complex environments, scales to high-dimensional systems, and achieves higher success rates for the RAS task compared to previous methods, validated through one simulation and two high-dimensional experiments.
Theoretically Grounded Framework for LLM Watermarking: A Distribution-Adaptive Approach
Authors: Haiyun He, Yepeng Liu, Ziqiao Wang, Yongyi Mao, Yuheng Bu
Date: 2024-10-03 00:00:00

Watermarking has emerged as a crucial method to distinguish AI-generated text from human-created text. In this paper, we present a novel theoretical framework for watermarking Large Language Models (LLMs) that jointly optimizes both the watermarking scheme and the detection process. Our approach focuses on maximizing detection performance while maintaining control over the worst-case Type-I error and text distortion. We characterize \emph{the universally minimum Type-II error}, showing a fundamental trade-off between watermark detectability and text distortion. Importantly, we identify that the optimal watermarking schemes are adaptive to the LLM generative distribution. Building on our theoretical insights, we propose an efficient, model-agnostic, distribution-adaptive watermarking algorithm, utilizing a surrogate model alongside the Gumbel-max trick. Experiments conducted on Llama2-13B and Mistral-8$\times$7B models confirm the effectiveness of our approach. Additionally, we examine incorporating robustness into our framework, paving a way to future watermarking systems that withstand adversarial attacks more effectively.
FAIR Universe HiggsML Uncertainty Challenge Competition
Authors: Wahid Bhimji, Paolo Calafiura, Ragansu Chakkappai, Po-Wen Chang, Yuan-Tang Chou, Sascha Diefenbacher, Jordan Dudley, Steven Farrell, Aishik Ghosh, Isabelle Guyon, Chris Harris, Shih-Chieh Hsu, Elham E Khoda, Rémy Lyscar, Alexandre Michon, Benjamin Nachman, Peter Nugent, Mathis Reymond, David Rousseau, Benjamin Sluijter, Benjamin Thorne, Ihsan Ullah, Yulei Zhang
Date: 2024-10-03 00:00:00

The FAIR Universe -- HiggsML Uncertainty Challenge focuses on measuring the physics properties of elementary particles with imperfect simulators due to differences in modelling systematic errors. Additionally, the challenge is leveraging a large-compute-scale AI platform for sharing datasets, training models, and hosting machine learning competitions. Our challenge brings together the physics and machine learning communities to advance our understanding and methodologies in handling systematic (epistemic) uncertainties within AI techniques.
Reconstructing Galaxy Cluster Mass Maps using Score-based Generative Modeling
Authors: Alan Hsu, Matthew Ho, Joyce Lin, Carleen Markey, Michelle Ntampaka, Hy Trac, Barnabás Póczos
Date: 2024-10-03 00:00:00
Tasks: Unity

We present a novel approach to reconstruct gas and dark matter projected density maps of galaxy clusters using score-based generative modeling. Our diffusion model takes in mock SZ and X-ray images as conditional observations, and generates realizations of corresponding gas and dark matter maps by sampling from a learned data posterior. We train and validate the performance of our model by using mock data from a hydrodynamical cosmological simulation. The model accurately reconstructs both the mean and spread of the radial density profiles in the spatial domain to within 5\%, indicating that the model is able to distinguish between clusters of different sizes. In the spectral domain, the model achieves close-to-unity values for the bias and cross-correlation coefficients, indicating that the model can accurately probe cluster structures on both large and small scales. Our experiments demonstrate the ability of score models to learn a strong, nonlinear, and unbiased mapping between input observables and fundamental density distributions of galaxy clusters. These diffusion models can be further fine-tuned and generalized to not only take in additional observables as inputs, but also real observations and predict unknown density distributions of galaxy clusters.
A Spatio-Temporal Machine Learning Model for Mortgage Credit Risk: Default Probabilities and Loan Portfolios
Authors: Pascal Kündig, Fabio Sigrist
Date: 2024-10-03 00:00:00

We introduce a novel machine learning model for credit risk by combining tree-boosting with a latent spatio-temporal Gaussian process model accounting for frailty correlation. This allows for modeling non-linearities and interactions among predictor variables in a flexible data-driven manner and for accounting for spatio-temporal variation that is not explained by observable predictor variables. We also show how estimation and prediction can be done in a computationally efficient manner. In an application to a large U.S. mortgage credit risk data set, we find that both predictive default probabilities for individual loans and predictive loan portfolio loss distributions obtained with our novel approach are more accurate compared to conventional independent linear hazard models and also linear spatio-temporal models. Using interpretability tools for machine learning models, we find that the likely reasons for this outperformance are strong interaction and non-linear effects in the predictor variables and the presence of large spatio-temporal frailty effects.
Overcoming Representation Bias in Fairness-Aware data Repair using Optimal Transport
Authors: Abigail Langbridge, Anthony Quinn, Robert Shorten
Date: 2024-10-03 00:00:00
Tasks: Attribute, Fairness, Quantization

Optimal transport (OT) has an important role in transforming data distributions in a manner which engenders fairness. Typically, the OT operators are learnt from the unfair attribute-labelled data, and then used for their repair. Two significant limitations of this approach are as follows: (i) the OT operators for underrepresented subgroups are poorly learnt (i.e. they are susceptible to representation bias); and (ii) these OT repairs cannot be effected on identically distributed but out-of-sample (i.e.\ archival) data. In this paper, we address both of these problems by adopting a Bayesian nonparametric stopping rule for learning each attribute-labelled component of the data distribution. The induced OT-optimal quantization operators can then be used to repair the archival data. We formulate a novel definition of the fair distributional target, along with quantifiers that allow us to trade fairness against damage in the transformed data. These are used to reveal excellent performance of our representation-bias-tolerant scheme in simulated and benchmark data sets.
Efficiently Identifying Watermarked Segments in Mixed-Source Texts
Authors: Xuandong Zhao, Chenwen Liao, Yu-Xiang Wang, Lei LI
Date: 2024-10-04 00:00:00

Text watermarks in large language models (LLMs) are increasingly used to detect synthetic text, mitigating misuse cases like fake news and academic dishonesty. While existing watermarking detection techniques primarily focus on classifying entire documents as watermarked or not, they often neglect the common scenario of identifying individual watermark segments within longer, mixed-source documents. Drawing inspiration from plagiarism detection systems, we propose two novel methods for partial watermark detection. First, we develop a geometry cover detection framework aimed at determining whether there is a watermark segment in long text. Second, we introduce an adaptive online learning algorithm to pinpoint the precise location of watermark segments within the text. Evaluated on three popular watermarking techniques (KGW-Watermark, Unigram-Watermark, and Gumbel-Watermark), our approach achieves high accuracy, significantly outperforming baseline methods. Moreover, our framework is adaptable to other watermarking techniques, offering new insights for precise watermark detection.
Explicit, Implicit, and Scattered: Revisiting Event Extraction to Capture Complex Arguments
Authors: Omar Sharif, Joseph Gatto, Madhusudan Basak, Sarah M. Preum
Date: 2024-10-04 00:00:00
Tasks: Event Extraction, Text Generation

Prior works formulate the extraction of event-specific arguments as a span extraction problem, where event arguments are explicit -- i.e. assumed to be contiguous spans of text in a document. In this study, we revisit this definition of Event Extraction (EE) by introducing two key argument types that cannot be modeled by existing EE frameworks. First, implicit arguments are event arguments which are not explicitly mentioned in the text, but can be inferred through context. Second, scattered arguments are event arguments that are composed of information scattered throughout the text. These two argument types are crucial to elicit the full breadth of information required for proper event modeling. To support the extraction of explicit, implicit, and scattered arguments, we develop a novel dataset, DiscourseEE, which includes 7,464 argument annotations from online health discourse. Notably, 51.2% of the arguments are implicit, and 17.4% are scattered, making DiscourseEE a unique corpus for complex event extraction. Additionally, we formulate argument extraction as a text generation problem to facilitate the extraction of complex argument types. We provide a comprehensive evaluation of state-of-the-art models and highlight critical open challenges in generative event extraction. Our data and codebase are available at https://omar-sharif03.github.io/DiscourseEE.