pwc-archive/papers-with-abstracts huggingface dataset:
A graphon-signal analysis of graph neural networks
Authors: Ron Levie
Date: 2023-05-25 00:00:00
Proceeding: NeurIPS 2023 11

We present an approach for analyzing message passing graph neural networks (MPNNs) based on an extension of graphon analysis to a so called graphon-signal analysis. A MPNN is a function that takes a graph and a signal on the graph (a graph-signal) and returns some value. Since the input space of MPNNs is non-Euclidean, i.e., graphs can be of any size and topology, properties such as generalization are less well understood for MPNNs than for Euclidean neural networks. We claim that one important missing ingredient in past work is a meaningful notion of graph-signal similarity measure, that endows the space of inputs to MPNNs with a regular structure. We present such a similarity measure, called the graphon-signal cut distance, which makes the space of all graph-signals a dense subset of a compact metric space -- the graphon-signal space. Informally, two deterministic graph-signals are close in cut distance if they ``look like'' they were sampled from the same random graph-signal model. Hence, our cut distance is a natural notion of graph-signal similarity, which allows comparing any pair of graph-signals of any size and topology. We prove that MPNNs are Lipschitz continuous functions over the graphon-signal metric space. We then give two applications of this result: 1) a generalization bound for MPNNs, and, 2) the stability of MPNNs to subsampling of graph-signals. Our results apply to any regular enough MPNN on any distribution of graph-signals, making the analysis rather universal.
Dynamic Inter-treatment Information Sharing for Individualized Treatment Effects Estimation
Authors: Vinod Kumar Chauhan, Jiandong Zhou, Ghadeer Ghosheh, Soheila Molaei, David A. Clifton
Date: 2023-05-25 00:00:00
Tasks: Causal Inference, counterfactual, Counterfactual Inference

Estimation of individualized treatment effects (ITE) from observational studies is a fundamental problem in causal inference and holds significant importance across domains, including healthcare. However, limited observational datasets pose challenges in reliable ITE estimation as data have to be split among treatment groups to train an ITE learner. While information sharing among treatment groups can partially alleviate the problem, there is currently no general framework for end-to-end information sharing in ITE estimation. To tackle this problem, we propose a deep learning framework based on `\textit{soft weight sharing}' to train ITE learners, enabling \textit{dynamic end-to-end} information sharing among treatment groups. The proposed framework complements existing ITE learners, and introduces a new class of ITE learners, referred to as \textit{HyperITE}. We extend state-of-the-art ITE learners with \textit{HyperITE} versions and evaluate them on IHDP, ACIC-2016, and Twins benchmarks. Our experimental results show that the proposed framework improves ITE estimation error, with increasing effectiveness for smaller datasets.
First Order Methods with Markovian Noise: from Acceleration to Variational Inequalities
Authors: Aleksandr Beznosikov, Sergey Samsonov, Marina Sheshukova, Alexander Gasnikov, Alexey Naumov, Eric Moulines
Date: 2023-05-25 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Stochastic Optimization

This paper delves into stochastic optimization problems that involve Markovian noise. We present a unified approach for the theoretical analysis of first-order gradient methods for stochastic optimization and variational inequalities. Our approach covers scenarios for both non-convex and strongly convex minimization problems. To achieve an optimal (linear) dependence on the mixing time of the underlying noise sequence, we use the randomized batching scheme, which is based on the multilevel Monte Carlo method. Moreover, our technique allows us to eliminate the limiting assumptions of previous research on Markov noise, such as the need for a bounded domain and uniformly bounded stochastic gradients. Our extension to variational inequalities under Markovian noise is original. Additionally, we provide lower bounds that match the oracle complexity of our method in the case of strongly convex optimization problems.
End-to-End Meta-Bayesian Optimisation with Transformer Neural Processes
Authors: Alexandre Maraval, Matthieu Zimmer, Antoine Grosnit, Haitham Bou Ammar
Date: 2023-05-25 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Bayesian Optimisation, Inductive Bias, Reinforcement Learning (RL), valid

Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function independently, joint training of both components remains an open challenge. This paper proposes the first end-to-end differentiable meta-BO framework that generalises neural processes to learn acquisition functions via transformer architectures. We enable this end-to-end framework with reinforcement learning (RL) to tackle the lack of labelled acquisition data. Early on, we notice that training transformer-based neural processes from scratch with RL is challenging due to insufficient supervision, especially when rewards are sparse. We formalise this claim with a combinatorial analysis showing that the widely used notion of regret as a reward signal exhibits a logarithmic sparsity pattern in trajectory lengths. To tackle this problem, we augment the RL objective with an auxiliary task that guides part of the architecture to learn a valid probabilistic model as an inductive bias. We demonstrate that our method achieves state-of-the-art regret results against various baselines in experiments on standard hyperparameter optimisation tasks and also outperforms others in the real-world problems of mixed-integer programming tuning, antibody design, and logic synthesis for electronic design automation.
Parameter Estimation in DAGs from Incomplete Data via Optimal Transport
Authors: Vy Vo, Trung Le, Tung-Long Vuong, He Zhao, Edwin Bonilla, Dinh Phung
Date: 2023-05-25 00:00:00
Tasks: parameter estimation, Representation Learning

Estimating the parameters of a probabilistic directed graphical model from incomplete data is a long-standing challenge. This is because, in the presence of latent variables, both the likelihood function and posterior distribution are intractable without assumptions about structural dependencies or model classes. While existing learning methods are fundamentally based on likelihood maximization, here we offer a new view of the parameter learning problem through the lens of optimal transport. This perspective licenses a general framework that operates on any directed graphs without making unrealistic assumptions on the posterior over the latent variables or resorting to variational approximations. We develop a theoretical framework and support it with extensive empirical evidence demonstrating the versatility and robustness of our approach. Across experiments, we show that not only can our method effectively recover the ground-truth parameters but it also performs comparably or better than competing baselines on downstream applications.
On the Identifiability of Switching Dynamical Systems
Authors: Carles Balsells-Rodas, Yixin Wang, Yingzhen Li
Date: 2023-05-25 00:00:00
Tasks: Causal Discovery, Time Series

The identifiability of latent variable models has received increasing attention due to its relevance in interpretability and out-of-distribution generalisation. In this work, we study the identifiability of Switching Dynamical Systems, taking an initial step toward extending identifiability analysis to sequential latent variable models. We first prove the identifiability of Markov Switching Models, which commonly serve as the prior distribution for the continuous latent variables in Switching Dynamical Systems. We present identification conditions for first-order Markov dependency structures, whose transition distribution is parametrised via non-linear Gaussians. We then establish the identifiability of the latent variables and non-linear mappings in Switching Dynamical Systems up to affine transformations, by leveraging identifiability analysis techniques from identifiable deep latent variable models. We finally develop estimation algorithms for identifiable Switching Dynamical Systems. Throughout empirical studies, we demonstrate the practicality of identifiable Switching Dynamical Systems for segmenting high-dimensional time series such as videos, and showcase the use of identifiable Markov Switching Models for regime-dependent causal discovery in climate data.
Sample and Predict Your Latent: Modality-free Sequential Disentanglement via Contrastive Estimation
Authors: Ilan Naiman, Nimrod Berman, Omri Azencot
Date: 2023-05-25 00:00:00
Tasks: Disentanglement, Representation Learning, Time Series

Unsupervised disentanglement is a long-standing challenge in representation learning. Recently, self-supervised techniques achieved impressive results in the sequential setting, where data is time-dependent. However, the latter methods employ modality-based data augmentations and random sampling or solve auxiliary tasks. In this work, we propose to avoid that by generating, sampling, and comparing empirical distributions from the underlying variational model. Unlike existing work, we introduce a self-supervised sequential disentanglement framework based on contrastive estimation with no external signals, while using common batch sizes and samples from the latent space itself. In practice, we propose a unified, efficient, and easy-to-code sampling strategy for semantically similar and dissimilar views of the data. We evaluate our approach on video, audio, and time series benchmarks. Our method presents state-of-the-art results in comparison to existing techniques. The code is available at https://github.com/azencot-group/SPYL.
Accurate generation of stochastic dynamics based on multi-model Generative Adversarial Networks
Authors: Daniele Lanzoni, Olivier Pierre-Louis, Francesco Montalenti
Date: 2023-05-25 00:00:00
Tasks: Image Generation, Model Selection

Generative Adversarial Networks (GANs) have shown immense potential in fields such as text and image generation. Only very recently attempts to exploit GANs to statistical-mechanics models have been reported. Here we quantitatively test this approach by applying it to a prototypical stochastic process on a lattice. By suitably adding noise to the original data we succeed in bringing both the Generator and the Discriminator loss functions close to their ideal value. Importantly, the discreteness of the model is retained despite the noise. As typical for adversarial approaches, oscillations around the convergence limit persist also at large epochs. This undermines model selection and the quality of the generated trajectories. We demonstrate that a simple multi-model procedure where stochastic trajectories are advanced at each step upon randomly selecting a Generator leads to a remarkable increase in accuracy. This is illustrated by quantitative analysis of both the predicted equilibrium probability distribution and of the escape-time distribution. Based on the reported findings, we believe that GANs are a promising tool to tackle complex statistical dynamics by machine learning techniques
Neural Characteristic Activation Analysis and Geometric Parameterization for ReLU Networks
Authors: Wenlin Chen, Hong Ge
Date: 2023-05-25 00:00:00
Tasks: Stochastic Optimization

We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's advantages of optimization stability, convergence speed and generalization performance.
Double Descent of Discrepancy: A Task-, Data-, and Model-Agnostic Phenomenon
Authors: Yifan Luo, Bin Dong
Date: 2023-05-25 00:00:00

In this paper, we studied two identically-trained neural networks (i.e. networks with the same architecture, trained on the same dataset using the same algorithm, but with different initialization) and found that their outputs discrepancy on the training dataset exhibits a "double descent" phenomenon. We demonstrated through extensive experiments across various tasks, datasets, and network architectures that this phenomenon is prevalent. Leveraging this phenomenon, we proposed a new early stopping criterion and developed a new method for data quality assessment. Our results show that a phenomenon-driven approach can benefit deep learning research both in theoretical understanding and practical applications.
Consistent Optimal Transport with Empirical Conditional Measures
Authors: Piyushi Manupriya, Rachit Keerti Das, Sayantan Biswas, Saketha Nath Jagarlapudi
Date: 2023-05-25 00:00:00
Tasks: Prompt Learning

Given samples from two joint distributions, we consider the problem of Optimal Transportation (OT) between them when conditioned on a common variable. We focus on the general setting where the conditioned variable may be continuous, and the marginals of this variable in the two joint distributions may not be the same. In such settings, standard OT variants cannot be employed, and novel estimation techniques are necessary. Since the main challenge is that the conditional distributions are not explicitly available, the key idea in our OT formulation is to employ kernelized-least-squares terms computed over the joint samples, which implicitly match the transport plan's marginals with the empirical conditionals. Under mild conditions, we prove that our estimated transport plans, as a function of the conditioned variable, are asymptotically optimal. For finite samples, we show that the deviation in terms of our regularized objective is bounded by $O(1/m^{1/4})$, where $m$ is the number of samples. We also discuss how the conditional transport plan could be modelled using explicit probabilistic models as well as using implicit generative ones. We empirically verify the consistency of our estimator on synthetic datasets, where the optimal plan is analytically known. When employed in applications like prompt learning for few-shot classification and conditional-generation in the context of predicting cell responses to treatment, our methodology improves upon state-of-the-art methods.
Quantitatively Measuring and Contrastively Exploring Heterogeneity for Domain Generalization
Authors: Yunze Tong, Junkun Yuan, Min Zhang, Didi Zhu, Keli Zhang, Fei Wu, Kun Kuang
Date: 2023-05-25 00:00:00
Tasks: Contrastive Learning, Domain Generalization

Domain generalization (DG) is a prevalent problem in real-world applications, which aims to train well-generalized models for unseen target domains by utilizing several source domains. Since domain labels, i.e., which domain each data point is sampled from, naturally exist, most DG algorithms treat them as a kind of supervision information to improve the generalization performance. However, the original domain labels may not be the optimal supervision signal due to the lack of domain heterogeneity, i.e., the diversity among domains. For example, a sample in one domain may be closer to another domain, its original label thus can be the noise to disturb the generalization learning. Although some methods try to solve it by re-dividing domains and applying the newly generated dividing pattern, the pattern they choose may not be the most heterogeneous due to the lack of the metric for heterogeneity. In this paper, we point out that domain heterogeneity mainly lies in variant features under the invariant learning framework. With contrastive learning, we propose a learning potential-guided metric for domain heterogeneity by promoting learning variant features. Then we notice the differences between seeking variance-based heterogeneity and training invariance-based generalizable model. We thus propose a novel method called Heterogeneity-based Two-stage Contrastive Learning (HTCL) for the DG task. In the first stage, we generate the most heterogeneous dividing pattern with our contrastive metric. In the second stage, we employ an invariance-aimed contrastive learning by re-building pairs with the stable relation hinted by domains and classes, which better utilizes generated domain labels for generalization learning. Extensive experiments show HTCL better digs heterogeneity and yields great generalization performance.
Generative Adversarial Reduced Order Modelling
Authors: Dario Coscia, Nicola Demo, Gianluigi Rozza
Date: 2023-05-25 00:00:00

In this work, we present GAROM, a new approach for reduced order modelling (ROM) based on generative adversarial networks (GANs). GANs have the potential to learn data distribution and generate more realistic data. While widely applied in many areas of deep learning, little research is done on their application for ROM, i.e. approximating a high-fidelity model with a simpler one. In this work, we combine the GAN and ROM framework, by introducing a data-driven generative adversarial model able to learn solutions to parametric differential equations. The latter is achieved by modelling the discriminator network as an autoencoder, extracting relevant features of the input, and applying a conditioning mechanism to the generator and discriminator networks specifying the differential equation parameters. We show how to apply our methodology for inference, provide experimental evidence of the model generalisation, and perform a convergence study of the method.
LFTK: Handcrafted Features in Computational Linguistics
Authors: Bruce W. Lee, Jason Hyung-Jong Lee
Date: 2023-05-25 00:00:00

Past research has identified a rich set of handcrafted linguistic features that can potentially assist various tasks. However, their extensive number makes it difficult to effectively select and utilize existing handcrafted features. Coupled with the problem of inconsistent implementation across research works, there has been no categorization scheme or generally-accepted feature names. This creates unwanted confusion. Also, most existing handcrafted feature extraction libraries are not open-source or not actively maintained. As a result, a researcher often has to build such an extraction system from the ground up. We collect and categorize more than 220 popular handcrafted features grounded on past literature. Then, we conduct a correlation analysis study on several task-specific datasets and report the potential use cases of each feature. Lastly, we devise a multilingual handcrafted linguistic feature extraction system in a systematically expandable manner. We open-source our system for public access to a rich set of pre-implemented handcrafted features. Our system is coined LFTK and is the largest of its kind. Find it at github.com/brucewlee/lftk.
LLHR: Low Latency and High Reliability CNN Distributed Inference for Resource-Constrained UAV Swarms
Authors: Marwan Dhuheir, Aiman Erbad, Sinan Sabeeh
Date: 2023-05-25 00:00:00

Recently, Unmanned Aerial Vehicles (UAVs) have shown impressive performance in many critical applications, such as surveillance, search and rescue operations, environmental monitoring, etc. In many of these applications, the UAVs capture images as well as other sensory data and then send the data processing requests to remote servers. Nevertheless, this approach is not always practical in real-time-based applications due to unstable connections, limited bandwidth, limited energy, and strict end-to-end latency. One promising solution is to divide the inference requests into subtasks that can be distributed among UAVs in a swarm based on the available resources. Moreover, these tasks create intermediate results that need to be transmitted reliably as the swarm moves to cover the area. Our system model deals with real-time requests, aiming to find the optimal transmission power that guarantees higher reliability and low latency. We formulate the Low Latency and High-Reliability (LLHR) distributed inference as an optimization problem, and due to the complexity of the problem, we divide it into three subproblems. In the first subproblem, we find the optimal transmit power of the connected UAVs with guaranteed transmission reliability. The second subproblem aims to find the optimal positions of the UAVs in the grid, while the last subproblem finds the optimal placement of the CNN layers in the available UAVs. We conduct extensive simulations and compare our work to two baseline models demonstrating that our model outperforms the competing models.
On sampling determinantal and Pfaffian point processes on a quantum computer
Authors: Rémi Bardenet, Michaël Fanuel, Alexandre Feller
Date: 2023-05-25 00:00:00
Tasks: Point Processes

DPPs were introduced by Macchi as a model in quantum optics the 1970s. Since then, they have been widely used as models and subsampling tools in statistics and computer science. Most applications require sampling from a DPP, and given their quantum origin, it is natural to wonder whether sampling a DPP on a quantum computer is easier than on a classical one. We focus here on DPPs over a finite state space, which are distributions over the subsets of $\{1,\dots,N\}$ parametrized by an $N\times N$ Hermitian kernel matrix. Vanilla sampling consists in two steps, of respective costs $\mathcal{O}(N^3)$ and $\mathcal{O}(Nr^2)$ operations on a classical computer, where $r$ is the rank of the kernel matrix. A large first part of the current paper consists in explaining why the state-of-the-art in quantum simulation of fermionic systems already yields quantum DPP sampling algorithms. We then modify existing quantum circuits, and discuss their insertion in a full DPP sampling pipeline that starts from practical kernel specifications. The bottom line is that, with $P$ (classical) parallel processors, we can divide the preprocessing cost by $P$ and build a quantum circuit with $\mathcal{O}(Nr)$ gates that sample a given DPP, with depth varying from $\mathcal{O}(N)$ to $\mathcal{O}(r\log N)$ depending on qubit-communication constraints on the target machine. We also connect existing work on the simulation of superconductors to Pfaffian point processes, which generalize DPPs and would be a natural addition to the machine learner's toolbox. In particular, we describe "projective" Pfaffian point processes, the cardinality of which has constant parity, almost surely. Finally, the circuits are empirically validated on a classical simulator and on 5-qubit IBM machines.