pwc-archive/papers-with-abstracts huggingface dataset:
The Training Process of Many Deep Networks Explores the Same Low-Dimensional Manifold
Authors: Jialin Mao, Itay Griniasty, Han Kheng Teoh, Rahul Ramesh, Rubing Yang, Mark K. Transtrum, James P. Sethna, Pratik Chaudhari
Date: 2023-05-02 00:00:00
Tasks: Data Augmentation

We develop information-geometric techniques to analyze the trajectories of the predictions of deep networks during training. By examining the underlying high-dimensional probabilistic models, we reveal that the training process explores an effectively low-dimensional manifold. Networks with a wide range of architectures, sizes, trained using different optimization methods, regularization techniques, data augmentation techniques, and weight initializations lie on the same manifold in the prediction space. We study the details of this manifold to find that networks with different architectures follow distinguishable trajectories but other factors have a minimal influence; larger networks train along a similar manifold as that of smaller networks, just faster; and networks initialized at very different parts of the prediction space converge to the solution along a similar manifold.
Revisiting Gradient Clipping: Stochastic bias and tight convergence guarantees
Authors: Anastasia Koloskova, Hadrien Hendrikx, Sebastian U. Stich
Date: 2023-05-02 00:00:00

Gradient clipping is a popular modification to standard (stochastic) gradient descent, at every iteration limiting the gradient norm to a certain value $c >0$. It is widely used for example for stabilizing the training of deep learning models (Goodfellow et al., 2016), or for enforcing differential privacy (Abadi et al., 2016). Despite popularity and simplicity of the clipping mechanism, its convergence guarantees often require specific values of $c$ and strong noise assumptions. In this paper, we give convergence guarantees that show precise dependence on arbitrary clipping thresholds $c$ and show that our guarantees are tight with both deterministic and stochastic gradients. In particular, we show that (i) for deterministic gradient descent, the clipping threshold only affects the higher-order terms of convergence, (ii) in the stochastic setting convergence to the true optimum cannot be guaranteed under the standard noise assumption, even under arbitrary small step-sizes. We give matching upper and lower bounds for convergence of the gradient norm when running clipped SGD, and illustrate these results with experiments.
Interpretable Machine Learning for Science with PySR and SymbolicRegression.jl
Authors: Miles Cranmer
Date: 2023-05-02 00:00:00
Tasks: Interpretable Machine Learning, regression, Symbolic Regression

PySR is an open-source library for practical symbolic regression, a type of machine learning which aims to discover human-interpretable symbolic models. PySR was developed to democratize and popularize symbolic regression for the sciences, and is built on a high-performance distributed back-end, a flexible search algorithm, and interfaces with several deep learning packages. PySR's internal search algorithm is a multi-population evolutionary algorithm, which consists of a unique evolve-simplify-optimize loop, designed for optimization of unknown scalar constants in newly-discovered empirical expressions. PySR's backend is the extremely optimized Julia library SymbolicRegression.jl, which can be used directly from Julia. It is capable of fusing user-defined operators into SIMD kernels at runtime, performing automatic differentiation, and distributing populations of expressions to thousands of cores across a cluster. In describing this software, we also introduce a new benchmark, "EmpiricalBench," to quantify the applicability of symbolic regression algorithms in science. This benchmark measures recovery of historical empirical equations from original and synthetic datasets.
Mitigating Approximate Memorization in Language Models via Dissimilarity Learned Policy
Authors: Aly M. Kassem
Date: 2023-05-02 00:00:00
Tasks: Memorization

Large Language models (LLMs) are trained on large amounts of data, which can include sensitive information that may compromise per- sonal privacy. LLMs showed to memorize parts of the training data and emit those data verbatim when an adversary prompts appropriately. Previous research has primarily focused on data preprocessing and differential privacy techniques to address memorization or prevent verbatim memorization exclusively, which can give a false sense of privacy. However, these methods rely on explicit and implicit assumptions about the structure of the data to be protected, which often results in an incomplete solution to the problem. To address this, we propose a novel framework that utilizes a reinforcement learning approach (PPO) to fine-tune LLMs to mitigate approximate memorization. Our approach utilizes a negative similarity score, such as BERTScore or SacreBLEU, as a reward signal to learn a dissimilarity policy. Our results demonstrate that this framework effectively mitigates approximate memorization while maintaining high levels of coherence and fluency in the generated samples. Furthermore, our framework is robust in mitigating approximate memorization across various circumstances, including longer context, which is known to increase memorization in LLMs.
Accelerating Neural Self-Improvement via Bootstrapping
Authors: Kazuki Irie, Jürgen Schmidhuber
Date: 2023-05-02 00:00:00
Tasks: Few-Shot Learning, Meta-Learning

Few-shot learning with sequence-processing neural networks (NNs) has recently attracted a new wave of attention in the context of large language models. In the standard N-way K-shot learning setting, an NN is explicitly optimised to learn to classify unlabelled inputs by observing a sequence of NK labelled examples. This pressures the NN to learn a learning algorithm that achieves optimal performance, given the limited number of training examples. Here we study an auxiliary loss that encourages further acceleration of few-shot learning, by applying recently proposed bootstrapped meta-learning to NN few-shot learners: we optimise the K-shot learner to match its own performance achievable by observing more than NK examples, using only NK examples. Promising results are obtained on the standard Mini-ImageNet dataset. Our code is public.
Jacobian-Scaled K-means Clustering for Physics-Informed Segmentation of Reacting Flows
Authors: Shivam Barwey, Venkat Raman
Date: 2023-05-02 00:00:00
Tasks: Clustering, Sensitivity

This work introduces Jacobian-scaled K-means (JSK-means) clustering, which is a physics-informed clustering strategy centered on the K-means framework. The method allows for the injection of underlying physical knowledge into the clustering procedure through a distance function modification: instead of leveraging conventional Euclidean distance vectors, the JSK-means procedure operates on distance vectors scaled by matrices obtained from dynamical system Jacobians evaluated at the cluster centroids. The goal of this work is to show how the JSK-means algorithm -- without modifying the input dataset -- produces clusters that capture regions of dynamical similarity, in that the clusters are redistributed towards high-sensitivity regions in phase space and are described by similarity in the source terms of samples instead of the samples themselves. The algorithm is demonstrated on a complex reacting flow simulation dataset (a channel detonation configuration), where the dynamics in the thermochemical composition space are known through the highly nonlinear and stiff Arrhenius-based chemical source terms. Interpretations of cluster partitions in both physical space and composition space reveal how JSK-means shifts clusters produced by standard K-means towards regions of high chemical sensitivity (e.g., towards regions of peak heat release rate near the detonation reaction zone). The findings presented here illustrate the benefits of utilizing Jacobian-scaled distances in clustering techniques, and the JSK-means method in particular displays promising potential for improving former partition-based modeling strategies in reacting flow (and other multi-physics) applications.
Unlocking the Power of Representations in Long-term Novelty-based Exploration
Authors: Alaa Saade, Steven Kapturowski, Daniele Calandriello, Charles Blundell, Pablo Sprechmann, Leopoldo Sarra, Oliver Groth, Michal Valko, Bilal Piot
Date: 2023-05-02 00:00:00
Tasks: Atari Games, Clustering, Density Estimation

We introduce Robust Exploration via Clustering-based Online Density Estimation (RECODE), a non-parametric method for novelty-based exploration that estimates visitation counts for clusters of states based on their similarity in a chosen embedding space. By adapting classical clustering to the nonstationary setting of Deep RL, RECODE can efficiently track state visitation counts over thousands of episodes. We further propose a novel generalization of the inverse dynamics loss, which leverages masked transformer architectures for multi-step prediction; which in conjunction with RECODE achieves a new state-of-the-art in a suite of challenging 3D-exploration tasks in DM-Hard-8. RECODE also sets new state-of-the-art in hard exploration Atari games, and is the first agent to reach the end screen in "Pitfall!".
On the properties of Gaussian Copula Mixture Models
Authors: Ke Wan, Alain Kornhauser
Date: 2023-05-02 00:00:00

This paper investigates Gaussian copula mixture models (GCMM), which are an extension of Gaussian mixture models (GMM) that incorporate copula concepts. The paper presents the mathematical definition of GCMM and explores the properties of its likelihood function. Additionally, the paper proposes extended Expectation Maximum algorithms to estimate parameters for the mixture of copulas. The marginal distributions corresponding to each component are estimated separately using nonparametric statistical methods. In the experiment, GCMM demonstrates improved goodness-of-fitting compared to GMM when using the same number of clusters. Furthermore, GCMM has the ability to leverage un-synchronized data across dimensions for more comprehensive data analysis.
Stochastic Contextual Bandits with Graph-based Contexts
Authors: Jittat Fakcharoenphol, Chayutpong Prompak
Date: 2023-05-02 00:00:00
Tasks: Multi-Armed Bandits

We naturally generalize the on-line graph prediction problem to a version of stochastic contextual bandit problems where contexts are vertices in a graph and the structure of the graph provides information on the similarity of contexts. More specifically, we are given a graph $G=(V,E)$, whose vertex set $V$ represents contexts with {\em unknown} vertex label $y$. In our stochastic contextual bandit setting, vertices with the same label share the same reward distribution. The standard notion of instance difficulties in graph label prediction is the cutsize $f$ defined to be the number of edges whose end points having different labels. For line graphs and trees we present an algorithm with regret bound of $\tilde{O}(T^{2/3}K^{1/3}f^{1/3})$ where $K$ is the number of arms. Our algorithm relies on the optimal stochastic bandit algorithm by Zimmert and Seldin~[AISTAT'19, JMLR'21]. When the best arm outperforms the other arms, the regret improves to $\tilde{O}(\sqrt{KT\cdot f})$. The regret bound in the later case is comparable to other optimal contextual bandit results in more general cases, but our algorithm is easy to analyze, runs very efficiently, and does not require an i.i.d. assumption on the input context sequence. The algorithm also works with general graphs using a standard random spanning tree reduction.
Memory of recurrent networks: Do we compute it right?
Authors: Giovanni Ballarin, Lyudmila Grigoryeva, Juan-Pablo Ortega
Date: 2023-05-02 00:00:00

Numerical evaluations of the memory capacity (MC) of recurrent neural networks reported in the literature often contradict well-established theoretical bounds. In this paper, we study the case of linear echo state networks, for which the total memory capacity has been proven to be equal to the rank of the corresponding Kalman controllability matrix. We shed light on various reasons for the inaccurate numerical estimations of the memory, and we show that these issues, often overlooked in the recent literature, are of an exclusively numerical nature. More explicitly, we prove that when the Krylov structure of the linear MC is ignored, a gap between the theoretical MC and its empirical counterpart is introduced. As a solution, we develop robust numerical approaches by exploiting a result of MC neutrality with respect to the input mask matrix. Simulations show that the memory curves that are recovered using the proposed methods fully agree with the theory.
Unsupervised Feature Based Algorithms for Time Series Extrinsic Regression
Authors: David Guijo-Rubio, Matthew Middlehurst, Guilherme Arcencio, Diego Furtado Silva, Anthony Bagnall
Date: 2023-05-02 00:00:00
Tasks: regression, Time Series, Time Series Classification

Time Series Extrinsic Regression (TSER) involves using a set of training time series to form a predictive model of a continuous response variable that is not directly related to the regressor series. The TSER archive for comparing algorithms was released in 2022 with 19 problems. We increase the size of this archive to 63 problems and reproduce the previous comparison of baseline algorithms. We then extend the comparison to include a wider range of standard regressors and the latest versions of TSER models used in the previous study. We show that none of the previously evaluated regressors can outperform a regression adaptation of a standard classifier, rotation forest. We introduce two new TSER algorithms developed from related work in time series classification. FreshPRINCE is a pipeline estimator consisting of a transform into a wide range of summary features followed by a rotation forest regressor. DrCIF is a tree ensemble that creates features from summary statistics over random intervals. Our study demonstrates that both algorithms, along with InceptionTime, exhibit significantly better performance compared to the other 18 regressors tested. More importantly, these two proposals (DrCIF and FreshPRINCE) models are the only ones that significantly outperform the standard rotation forest regressor.
From Local to Global: Navigating Linguistic Diversity in the African Context
Authors: Rashmi Margani, Nelson Ndugu
Date: 2023-05-02 00:00:00
Tasks: Diversity

The focus is on critical problems in NLP related to linguistic diversity and variation across the African continent, specifically with regards to African local di- alects and Arabic dialects that have received little attention. We evaluated our various approaches, demonstrating their effectiveness while highlighting the potential impact of the proposed approach on businesses seek- ing to improve customer experience and product development in African local dialects. The idea of using the model as a teaching tool for product-based instruction is interesting, as it could potentially stimulate interest in learners and trigger techno entrepreneurship. Overall, our modified approach offers a promising analysis of the challenges of dealing with African local dialects. Particularly Arabic dialects, which could have a significant impact on businesses seeking to improve customer experience and product development.
Absolute integrability of Mercer kernels is only sufficient for RKHS stability
Authors: Mauro Bisiacco, Gianluigi Pillonetto
Date: 2023-05-02 00:00:00

Reproducing kernel Hilbert spaces (RKHSs) are special Hilbert spaces in one-to-one correspondence with positive definite maps called kernels. They are widely employed in machine learning to reconstruct unknown functions from sparse and noisy data. In the last two decades, a subclass known as stable RKHSs has been also introduced in the setting of linear system identification. Stable RKHSs contain only absolutely integrable impulse responses over the positive real line. Hence, they can be adopted as hypothesis spaces to estimate linear, time-invariant and BIBO stable dynamic systems from input-output data. Necessary and sufficient conditions for RKHS stability are available in the literature and it is known that kernel absolute integrability implies stability. Working in discrete-time, in a recent work we have proved that this latter condition is only sufficient. Working in continuous-time, it is the purpose of this note to prove that the same result holds also for Mercer kernels.
Stress and heat flux via automatic differentiation
Authors: Marcel F. Langer, J. Thorben Frank, Florian Knoop
Date: 2023-05-02 00:00:00

Machine-learning potentials provide computationally efficient and accurate approximations of the Born-Oppenheimer potential energy surface. This potential determines many materials properties and simulation techniques usually require its gradients, in particular forces and stress for molecular dynamics, and heat flux for thermal transport properties. Recently developed potentials feature high body order and can include equivariant semi-local interactions through message-passing mechanisms. Due to their complex functional forms, they rely on automatic differentiation (AD), overcoming the need for manual implementations or finite-difference schemes to evaluate gradients. This study demonstrates a unified AD approach to obtain forces, stress, and heat flux for such potentials, and provides a model-independent implementation. The method is tested on the Lennard-Jones potential, and then applied to predict cohesive properties and thermal conductivity of tin selenide using an equivariant message-passing neural network potential.
Are demographically invariant models and representations in medical imaging fair?
Authors: Eike Petersen, Enzo Ferrante, Melanie Ganz, Aasa Feragen
Date: 2023-05-02 00:00:00
Tasks: counterfactual, Fairness

Medical imaging models have been shown to encode information about patient demographics such as age, race, and sex in their latent representation, raising concerns about their potential for discrimination. Here, we ask whether requiring models not to encode demographic attributes is desirable. We point out that marginal and class-conditional representation invariance imply the standard group fairness notions of demographic parity and equalized odds, respectively. In addition, however, they require matching the risk distributions, thus potentially equalizing away important group differences. Enforcing the traditional fairness notions directly instead does not entail these strong constraints. Moreover, representationally invariant models may still take demographic attributes into account for deriving predictions, implying unequal treatment - in fact, achieving representation invariance may require doing so. In theory, this can be prevented using counterfactual notions of (individual) fairness or invariance. We caution, however, that properly defining medical image counterfactuals with respect to demographic attributes is fraught with challenges. Finally, we posit that encoding demographic attributes may even be advantageous if it enables learning a task-specific encoding of demographic features that does not rely on social constructs such as 'race' and 'gender.' We conclude that demographically invariant representations are neither necessary nor sufficient for fairness in medical imaging. Models may need to encode demographic attributes, lending further urgency to calls for comprehensive model fairness assessments in terms of predictive performance across diverse patient groups.
Efficient Federated Learning with Enhanced Privacy via Lottery Ticket Pruning in Edge Computing
Authors: Yifan Shi, Kang Wei, Li Shen, Jun Li, Xueqian Wang, Bo Yuan, Song Guo
Date: 2023-05-02 00:00:00
Tasks: Edge-computing, Federated Learning, Privacy Preserving

Federated learning (FL) is a collaborative learning paradigm for decentralized private data from mobile terminals (MTs). However, it suffers from issues in terms of communication, resource of MTs, and privacy. Existing privacy-preserving FL methods usually adopt the instance-level differential privacy (DP), which provides a rigorous privacy guarantee but with several bottlenecks: severe performance degradation, transmission overhead, and resource constraints of edge devices such as MTs. To overcome these drawbacks, we propose Fed-LTP, an efficient and privacy-enhanced FL framework with \underline{\textbf{L}}ottery \underline{\textbf{T}}icket \underline{\textbf{H}}ypothesis (LTH) and zero-concentrated D\underline{\textbf{P}} (zCDP). It generates a pruned global model on the server side and conducts sparse-to-sparse training from scratch with zCDP on the client side. On the server side, two pruning schemes are proposed: (i) the weight-based pruning (LTH) determines the pruned global model structure; (ii) the iterative pruning further shrinks the size of the pruned model's parameters. Meanwhile, the performance of Fed-LTP is also boosted via model validation based on the Laplace mechanism. On the client side, we use sparse-to-sparse training to solve the resource-constraints issue and provide tighter privacy analysis to reduce the privacy budget. We evaluate the effectiveness of Fed-LTP on several real-world datasets in both independent and identically distributed (IID) and non-IID settings. The results clearly confirm the superiority of Fed-LTP over state-of-the-art (SOTA) methods in communication, computation, and memory efficiencies while realizing a better utility-privacy trade-off.
Class based Influence Functions for Error Detection
Authors: Thang Nguyen-Duc, Hoang Thanh-Tung, Quan Hung Tran, Dang Huu-Tien, Hieu Ngoc Nguyen, Anh T. V. Dau, Nghi D. Q. Bui
Date: 2023-05-02 00:00:00

Influence functions (IFs) are a powerful tool for detecting anomalous examples in large scale datasets. However, they are unstable when applied to deep networks. In this paper, we provide an explanation for the instability of IFs and develop a solution to this problem. We show that IFs are unreliable when the two data points belong to two different classes. Our solution leverages class information to improve the stability of IFs. Extensive experiments show that our modification significantly improves the performance and stability of IFs while incurring no additional computational cost.
LogSpecT: Feasible Graph Learning Model from Stationary Signals with Recovery Guarantees
Date: 2023-05-02 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Graph Learning

Graph learning from signals is a core task in Graph Signal Processing (GSP). One of the most commonly used models to learn graphs from stationary signals is SpecT. However, its practical formulation rSpecT is known to be sensitive to hyperparameter selection and, even worse, to suffer from infeasibility. In this paper, we give the first condition that guarantees the infeasibility of rSpecT and design a novel model (LogSpecT) and its practical formulation (rLogSpecT) to overcome this issue. Contrary to rSpecT, the novel practical model rLogSpecT is always feasible. Furthermore, we provide recovery guarantees of rLogSpecT, which are derived from modern optimization tools related to epi-convergence. These tools could be of independent interest and significant for various learning problems. To demonstrate the advantages of rLogSpecT in practice, a highly efficient algorithm based on the linearized alternating direction method of multipliers (L-ADMM) is proposed. The subproblems of L-ADMM admit closed-form solutions and the convergence is guaranteed. Extensive numerical results on both synthetic and real networks corroborate the stability and superiority of our proposed methods, underscoring their potential for various graph learning applications.