pwc-archive/papers-with-abstracts huggingface dataset:
Variational Mixture of HyperGenerators for Learning Distributions Over Functions
Authors: Batuhan Koyuncu, Pablo Sanchez-Martin, Ignacio Peis, Pablo M. Olmos, Isabel Valera
Date: 2023-02-13 00:00:00
Tasks: Imputation, Super-Resolution

Recent approaches build on implicit neural representations (INRs) to propose generative models over function spaces. However, they are computationally costly when dealing with inference tasks, such as missing data imputation, or directly cannot tackle them. In this work, we propose a novel deep generative model, named VAMoH. VAMoH combines the capabilities of modeling continuous functions using INRs and the inference capabilities of Variational Autoencoders (VAEs). In addition, VAMoH relies on a normalizing flow to define the prior, and a mixture of hypernetworks to parametrize the data log-likelihood. This gives VAMoH a high expressive capability and interpretability. Through experiments on a diverse range of data types, such as images, voxels, and climate data, we show that VAMoH can effectively learn rich distributions over continuous functions. Furthermore, it can perform inference-related tasks, such as conditional super-resolution generation and in-painting, as well or better than previous approaches, while being less computationally demanding.
Precise Asymptotic Analysis of Deep Random Feature Models
Authors: David Bosch, Ashkan Panahi, Babak Hassibi
Date: 2023-02-13 00:00:00

We provide exact asymptotic expressions for the performance of regression by an $L-$layer deep random feature (RF) model, where the input is mapped through multiple random embedding and non-linear activation functions. For this purpose, we establish two key steps: First, we prove a novel universality result for RF models and deterministic data, by which we demonstrate that a deep random feature model is equivalent to a deep linear Gaussian model that matches it in the first and second moments, at each layer. Second, we make use of the convex Gaussian Min-Max theorem multiple times to obtain the exact behavior of deep RF models. We further characterize the variation of the eigendistribution in different layers of the equivalent Gaussian model, demonstrating that depth has a tangible effect on model performance despite the fact that only the last layer of the model is being trained.
Multiscale Graph Neural Network Autoencoders for Interpretable Scientific Machine Learning
Authors: Shivam Barwey, Varun Shankar, Venkatasubramanian Viswanathan, Romit Maulik
Date: 2023-02-13 00:00:00
Tasks: Graph Neural Network

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN) autoencoding architecture with demonstrations on complex fluid flow applications. To address the first goal of interpretability, the GNN autoencoder achieves reduction in the number nodes in the encoding stage through an adaptive graph reduction procedure. This reduction procedure essentially amounts to flowfield-conditioned node sampling and sensor identification, and produces interpretable latent graph representations tailored to the flowfield reconstruction task in the form of so-called masked fields. These masked fields allow the user to (a) visualize where in physical space a given latent graph is active, and (b) interpret the time-evolution of the latent graph connectivity in accordance with the time-evolution of unsteady flow features (e.g. recirculation zones, shear layers) in the domain. To address the goal of unstructured mesh compatibility, the autoencoding architecture utilizes a series of multi-scale message passing (MMP) layers, each of which models information exchange among node neighborhoods at various lengthscales. The MMP layer, which augments standard single-scale message passing with learnable coarsening operations, allows the decoder to more efficiently reconstruct the flowfield from the identified regions in the masked fields. Analysis of latent graphs produced by the autoencoder for various model settings are conducted using using unstructured snapshot data sourced from large-eddy simulations in a backward-facing step (BFS) flow configuration with an OpenFOAM-based flow solver at high Reynolds numbers.
Restoring the saturation response of a PMT using pulse-shape and artificial-neural-networks
Authors: Hyun-Gi Lee, Jungsic Park
Date: 2023-02-13 00:00:00
Tasks: valid

The linear response of a photomultiplier tube (PMT) is a required property for photon counting and reconstruction of the neutrino energy. The linearity valid region and the saturation response of PMT were investigated using a linear-alkyl-benzene (LAB)-based liquid scintillator. A correlation was observed between the two different saturation responses, with pulse-shape distortion and pulse-area decrease. The observed pulse-shape provides useful information for the estimation of the linearity region relative to the pulse-area. This correlation-based diagnosis allows an ${in}$-${situ}$ estimation of the linearity range, which was previously challenging. The measured correlation between the two saturation responses was employed to train an artificial-neural-network (ANN) to predict the decrease in pulse-area from the observed pulse-shape. The ANN-predicted pulse-area decrease enables the prediction of the ideal number of photoelectrons irrelevant to the saturation behavior. This pulse-shape-based machine learning technique offers a novel method for restoring the saturation response of PMTs.
Sparse Dimensionality Reduction Revisited
Authors: Mikael Møller Høgsgaard, Lion Kamma, Kasper Green Larsen, Jelani Nelson, Chris Schwiegelshohn
Date: 2023-02-13 00:00:00
Tasks: Dimensionality Reduction

The sparse Johnson-Lindenstrauss transform is one of the central techniques in dimensionality reduction. It supports embedding a set of $n$ points in $\mathbb{R}^d$ into $m=O(\varepsilon^{-2} \lg n)$ dimensions while preserving all pairwise distances to within $1 \pm \varepsilon$. Each input point $x$ is embedded to $Ax$, where $A$ is an $m \times d$ matrix having $s$ non-zeros per column, allowing for an embedding time of $O(s \|x\|_0)$. Since the sparsity of $A$ governs the embedding time, much work has gone into improving the sparsity $s$. The current state-of-the-art by Kane and Nelson (JACM'14) shows that $s = O(\varepsilon ^{-1} \lg n)$ suffices. This is almost matched by a lower bound of $s = \Omega(\varepsilon ^{-1} \lg n/\lg(1/\varepsilon))$ by Nelson and Nguyen (STOC'13). Previous work thus suggests that we have near-optimal embeddings. In this work, we revisit sparse embeddings and identify a loophole in the lower bound. Concretely, it requires $d \geq n$, which in many applications is unrealistic. We exploit this loophole to give a sparser embedding when $d = o(n)$, achieving $s = O(\varepsilon^{-1}(\lg n/\lg(1/\varepsilon)+\lg^{2/3}n \lg^{1/3} d))$. We also complement our analysis by strengthening the lower bound of Nelson and Nguyen to hold also when $d \ll n$, thereby matching the first term in our new sparsity upper bound. Finally, we also improve the sparsity of the best oblivious subspace embeddings for optimal embedding dimensionality.
Expediting Distributed DNN Training with Device Topology-Aware Graph Deployment
Authors: Shiwei Zhang, Xiaodong Yi, Lansong Diao, Chuan Wu, Siyu Wang, Wei Lin
Date: 2023-02-13 00:00:00
Tasks: Combinatorial Optimization, Graph Neural Network, TAG

This paper presents TAG, an automatic system to derive optimized DNN training graph and its deployment onto any device topology, for expedited training in device- and topology- heterogeneous ML clusters. We novelly combine both the DNN computation graph and the device topology graph as input to a graph neural network (GNN), and join the GNN with a search-based method to quickly identify optimized distributed training strategies. To reduce communication in a heterogeneous cluster, we further explore a lossless gradient compression technique and solve a combinatorial optimization problem to automatically apply the technique for training time minimization. We evaluate TAG with various representative DNN models and device topologies, showing that it can achieve up to 4.56x training speed-up as compared to existing schemes. TAG can produce efficient deployment strategies for both unseen DNN models and unseen device topologies, without heavy fine-tuning.
Knowledge from Large-Scale Protein Contact Prediction Models Can Be Transferred to the Data-Scarce RNA Contact Prediction Task
Authors: Yiren Jian, Chongyang Gao, Chen Zeng, Yunjie Zhao, Soroush Vosoughi
Date: 2023-02-13 00:00:00
Tasks: Prediction, Transfer Learning

RNA, whose functionality is largely determined by its structure, plays an important role in many biological activities. The prediction of pairwise structural proximity between each nucleotide of an RNA sequence can characterize the structural information of the RNA. Historically, this problem has been tackled by machine learning models using expert-engineered features and trained on scarce labeled datasets. Here, we find that the knowledge learned by a protein-coevolution Transformer-based deep neural network can be transferred to the RNA contact prediction task. As protein datasets are orders of magnitude larger than those for RNA contact prediction, our findings and the subsequent framework greatly reduce the data scarcity bottleneck. Experiments confirm that RNA contact prediction through transfer learning using a publicly available protein model is greatly improved. Our findings indicate that the learned structural patterns of proteins can be transferred to RNAs, opening up potential new avenues for research.
The Framework Tax: Disparities Between Inference Efficiency in NLP Research and Deployment
Authors: Jared Fernandez, Jacob Kahn, Clara Na, Yonatan Bisk, Emma Strubell
Date: 2023-02-13 00:00:00
Tasks: Computational Efficiency

Increased focus on the computational efficiency of NLP systems has motivated the design of efficient model architectures and improvements to underlying hardware accelerators. However, the resulting increases in computational throughput and reductions in floating point operations have not directly translated to improvements in wall-clock inference latency. We demonstrate that these discrepancies can be largely attributed to bottlenecks introduced by deep learning frameworks. We denote this phenomenon as the \textit{framework tax}, and observe that the disparity is growing as hardware speed increases over time. In this work, we examine this phenomenon through a series of case studies analyzing the effects of model design decisions, framework paradigms, and hardware platforms on total model latency. Code is available at https://github.com/JaredFern/Framework-Tax.
A Comprehensive Survey on Graph Summarization with Graph Neural Networks
Authors: Nasrin Shabani, Jia Wu, Amin Beheshti, Quan Z. Sheng, Jin Foo, Venus Haghighi, Ambreen Hanif, Maryam Shahabikargar
Date: 2023-02-13 00:00:00
Tasks: Graph Attention, Survey

As large-scale graphs become more widespread, more and more computational challenges with extracting, processing, and interpreting large graph data are being exposed. It is therefore natural to search for ways to summarize these expansive graphs while preserving their key characteristics. In the past, most graph summarization techniques sought to capture the most important part of a graph statistically. However, today, the high dimensionality and complexity of modern graph data are making deep learning techniques more popular. Hence, this paper presents a comprehensive survey of progress in deep learning summarization techniques that rely on graph neural networks (GNNs). Our investigation includes a review of the current state-of-the-art approaches, including recurrent GNNs, convolutional GNNs, graph autoencoders, and graph attention networks. A new burgeoning line of research is also discussed where graph reinforcement learning is being used to evaluate and improve the quality of graph summaries. Additionally, the survey provides details of benchmark datasets, evaluation metrics, and open-source tools that are often employed in experimentation settings, along with a detailed comparison, discussion, and takeaways for the research community focused on graph summarization. Finally, the survey concludes with a number of open research challenges to motivate further study in this area.
FedDA: Faster Framework of Local Adaptive Gradient Methods via Restarted Dual Averaging
Authors: Junyi Li, Feihu Huang, Heng Huang
Date: 2023-02-13 00:00:00
Tasks: Federated Learning

Federated learning (FL) is an emerging learning paradigm to tackle massively distributed data. In Federated Learning, a set of clients jointly perform a machine learning task under the coordination of a server. The FedAvg algorithm is one of the most widely used methods to solve Federated Learning problems. In FedAvg, the learning rate is a constant rather than changing adaptively. The adaptive gradient methods show superior performance over the constant learning rate schedule; however, there is still no general framework to incorporate adaptive gradient methods into the federated setting. In this paper, we propose \textbf{FedDA}, a novel framework for local adaptive gradient methods. The framework adopts a restarted dual averaging technique and is flexible with various gradient estimation methods and adaptive learning rate formulations. In particular, we analyze \textbf{FedDA-MVR}, an instantiation of our framework, and show that it achieves gradient complexity $\tilde{O}(\epsilon^{-1.5})$ and communication complexity $\tilde{O}(\epsilon^{-1})$ for finding a stationary point $\epsilon$. This matches the best known rate for first-order FL algorithms and \textbf{FedDA-MVR} is the first adaptive FL algorithm that achieves this rate. We also perform extensive numerical experiments to verify the efficacy of our method.
Reliability Assurance for Deep Neural Network Architectures Against Numerical Defects
Authors: Linyi Li, Yuhao Zhang, Luyao Ren, Yingfei Xiong, Tao Xie
Date: 2023-02-13 00:00:00

With the widespread deployment of deep neural networks (DNNs), ensuring the reliability of DNN-based systems is of great importance. Serious reliability issues such as system failures can be caused by numerical defects, one of the most frequent defects in DNNs. To assure high reliability against numerical defects, in this paper, we propose the RANUM approach including novel techniques for three reliability assurance tasks: detection of potential numerical defects, confirmation of potential-defect feasibility, and suggestion of defect fixes. To the best of our knowledge, RANUM is the first approach that confirms potential-defect feasibility with failure-exhibiting tests and suggests fixes automatically. Extensive experiments on the benchmarks of 63 real-world DNN architectures show that RANUM outperforms state-of-the-art approaches across the three reliability assurance tasks. In addition, when the RANUM-generated fixes are compared with developers' fixes on open-source projects, in 37 out of 40 cases, RANUM-generated fixes are equivalent to or even better than human fixes.
Algorithmic Aspects of the Log-Laplace Transform and a Non-Euclidean Proximal Sampler
Authors: Sivakanth Gopi, Yin Tat Lee, Daogao Liu, Ruoqi Shen, Kevin Tian
Date: 2023-02-13 00:00:00

The development of efficient sampling algorithms catering to non-Euclidean geometries has been a challenging endeavor, as discretization techniques which succeed in the Euclidean setting do not readily carry over to more general settings. We develop a non-Euclidean analog of the recent proximal sampler of [LST21], which naturally induces regularization by an object known as the log-Laplace transform (LLT) of a density. We prove new mathematical properties (with an algorithmic flavor) of the LLT, such as strong convexity-smoothness duality and an isoperimetric inequality, which are used to prove a mixing time on our proximal sampler matching [LST21] under a warm start. As our main application, we show our warm-started sampler improves the value oracle complexity of differentially private convex optimization in $\ell_p$ and Schatten-$p$ norms for $p \in [1, 2]$ to match the Euclidean setting [GLL22], while retaining state-of-the-art excess risk bounds [GLLST23]. We find our investigation of the LLT to be a promising proof-of-concept of its utility as a tool for designing samplers, and outline directions for future exploration.
A Graphical Point Process Framework for Understanding Removal Effects in Multi-Touch Attribution
Authors: Jun Tao, Qian Chen, James W. Snyder Jr., Arava Sai Kumar, Amirhossein Meisami, Lingzhou Xue
Date: 2023-02-13 00:00:00
Tasks: Marketing

Marketers employ various online advertising channels to reach customers, and they are particularly interested in attribution for measuring the degree to which individual touchpoints contribute to an eventual conversion. The availability of individual customer-level path-to-purchase data and the increasing number of online marketing channels and types of touchpoints bring new challenges to this fundamental problem. We aim to tackle the attribution problem with finer granularity by conducting attribution at the path level. To this end, we develop a novel graphical point process framework to study the direct conversion effects and the full relational structure among numerous types of touchpoints simultaneously. Utilizing the temporal point process of conversion and the graphical structure, we further propose graphical attribution methods to allocate proper path-level conversion credit, called the attribution score, to individual touchpoints or corresponding channels for each customer's path to purchase. Our proposed attribution methods consider the attribution score as the removal effect, and we use the rigorous probabilistic definition to derive two types of removal effects. We examine the performance of our proposed methods in extensive simulation studies and compare their performance with commonly used attribution models. We also demonstrate the performance of the proposed methods in a real-world attribution application.
Universal Online Optimization in Dynamic Environments via Uniclass Prediction
Authors: Arnold Salas
Date: 2023-02-13 00:00:00

Recently, several universal methods have been proposed for online convex optimization which can handle convex, strongly convex and exponentially concave cost functions simultaneously. However, most of these algorithms have been designed with static regret minimization in mind, but this notion of regret may not be suitable for changing environments. To address this shortcoming, we propose a novel and intuitive framework for universal online optimization in dynamic environments. Unlike existing universal algorithms, our strategy does not rely on the construction of a set of experts and an accompanying meta-algorithm. Instead, we show that the problem of dynamic online optimization can be reduced to a uniclass prediction problem. By leaving the choice of uniclass loss function in the user's hands, they are able to control and optimize dynamic regret bounds, which in turn carry over into the original problem. To the best of our knowledge, this is the first paper proposing a universal approach with state-of-the-art dynamic regret guarantees even for general convex cost functions.
Provably Safe Reinforcement Learning with Step-wise Violation Constraints
Date: 2023-02-13 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Autonomous Driving, reinforcement-learning, Reinforcement Learning, Safe Reinforcement Learning

In this paper, we investigate a novel safe reinforcement learning problem with step-wise violation constraints. Our problem differs from existing works in that we consider stricter step-wise violation constraints and do not assume the existence of safe actions, making our formulation more suitable for safety-critical applications which need to ensure safety in all decision steps and may not always possess safe actions, e.g., robot control and autonomous driving. We propose a novel algorithm SUCBVI, which guarantees $\widetilde{O}(\sqrt{ST})$ step-wise violation and $\widetilde{O}(\sqrt{H^3SAT})$ regret. Lower bounds are provided to validate the optimality in both violation and regret performance with respect to $S$ and $T$. Moreover, we further study a novel safe reward-free exploration problem with step-wise violation constraints. For this problem, we design an $(\varepsilon,\delta)$-PAC algorithm SRF-UCRL, which achieves nearly state-of-the-art sample complexity $\widetilde{O}((\frac{S^2AH^2}{\varepsilon}+\frac{H^4SA}{\varepsilon^2})(\log(\frac{1}{\delta})+S))$, and guarantees $\widetilde{O}(\sqrt{ST})$ violation during the exploration. The experimental results demonstrate the superiority of our algorithms in safety performance, and corroborate our theoretical results.
TIGER: Temporal Interaction Graph Embedding with Restarts
Authors: Yao Zhang, Yun Xiong, Yongxiang Liao, Yiheng Sun, Yucheng Jin, Xuehao Zheng, Yangyong Zhu
Date: 2023-02-13 00:00:00
Tasks: Graph Embedding

Temporal interaction graphs (TIGs), consisting of sequences of timestamped interaction events, are prevalent in fields like e-commerce and social networks. To better learn dynamic node embeddings that vary over time, researchers have proposed a series of temporal graph neural networks for TIGs. However, due to the entangled temporal and structural dependencies, existing methods have to process the sequence of events chronologically and consecutively to ensure node representations are up-to-date. This prevents existing models from parallelization and reduces their flexibility in industrial applications. To tackle the above challenge, in this paper, we propose TIGER, a TIG embedding model that can restart at any timestamp. We introduce a restarter module that generates surrogate representations acting as the warm initialization of node representations. By restarting from multiple timestamps simultaneously, we divide the sequence into multiple chunks and naturally enable the parallelization of the model. Moreover, in contrast to previous models that utilize a single memory unit, we introduce a dual memory module to better exploit neighborhood information and alleviate the staleness problem. Extensive experiments on four public datasets and one industrial dataset are conducted, and the results verify both the effectiveness and the efficiency of our work.
Isotopic envelope identification by analysis of the spatial distribution of components in MALDI-MSI data
Authors: Anna Glodek, Joanna Polańska, Marta Gawin
Date: 2023-02-13 00:00:00

One of the significant steps in the process leading to the identification of proteins is mass spectrometry, which allows for obtaining information about the structure of proteins. Removing isotope peaks from the mass spectrum is vital and it is done in a process called deisotoping. There are different algorithms for deisotoping, but they have their limitations, they are dedicated to different methods of mass spectrometry. Data from experiments performed with the MALDI-ToF technique are characterized by high dimensionality. This paper presents a method for identifying isotope envelopes in MALDI-ToF molecular imaging data based on the Mamdani-Assilan fuzzy system and spatial maps of the molecular distribution of peaks included in the isotopic envelope. Several image texture measures were used to evaluate spatial molecular distribution maps. The algorithm was tested on eight datasets obtained from the MALDI-ToF experiment on samples from the National Institute of Oncology in Gliwice from patients with cancer of the head and neck region. The data were subjected to pre-processing and feature extraction. The results were collected and compared with three existing deisotoping algorithms. The analysis of the obtained results showed that the method for identifying isotopic envelopes proposed in this paper enables the detection of overlapping envelopes by using the approach oriented to study peak pairs. Moreover, the proposed algorithm enables the analysis of large data sets.