pwc-archive/papers-with-abstracts huggingface dataset:
Posterior temperature optimized Bayesian models for inverse problems in medical imaging
Authors: Max-Heinrich Laves, Malte Tölle, Alexander Schlaefer, Sandy Engelhardt
Date: 2022-02-02 00:00:00
Tasks: Bayesian Optimization, Denoising, Image Denoising, Variational Inference

We present Posterior Temperature Optimized Bayesian Inverse Models (POTOBIM), an unsupervised Bayesian approach to inverse problems in medical imaging using mean-field variational inference with a fully tempered posterior. Bayesian methods exhibit useful properties for approaching inverse tasks, such as tomographic reconstruction or image denoising. A suitable prior distribution introduces regularization, which is needed to solve the ill-posed problem and reduces overfitting the data. In practice, however, this often results in a suboptimal posterior temperature, and the full potential of the Bayesian approach is not being exploited. In POTOBIM, we optimize both the parameters of the prior distribution and the posterior temperature with respect to reconstruction accuracy using Bayesian optimization with Gaussian process regression. Our method is extensively evaluated on four different inverse tasks on a variety of modalities with images from public data sets and we demonstrate that an optimized posterior temperature outperforms both non-Bayesian and Bayesian approaches without temperature optimization. The use of an optimized prior distribution and posterior temperature leads to improved accuracy and uncertainty estimation and we show that it is sufficient to find these hyperparameters per task domain. Well-tempered posteriors yield calibrated uncertainty, which increases the reliability in the predictions. Our source code is publicly available at github.com/Cardio-AI/mfvi-dip-mia.
Robust Training of Neural Networks Using Scale Invariant Architectures
Authors: Zhiyuan Li, Srinadh Bhojanapalli, Manzil Zaheer, Sashank J. Reddi, Sanjiv Kumar
Date: 2022-02-02 00:00:00

In contrast to SGD, adaptive gradient methods like Adam allow robust training of modern deep networks, especially large language models. However, the use of adaptivity not only comes at the cost of extra memory but also raises the fundamental question: can non-adaptive methods like SGD enjoy similar benefits? In this paper, we provide an affirmative answer to this question by proposing to achieve both robust and memory-efficient training via the following general recipe: (1) modify the architecture and make it scale invariant, i.e. the scale of parameter doesn't affect the output of the network, (2) train with SGD and weight decay, and optionally (3) clip the global gradient norm proportional to weight norm multiplied by $\sqrt{\tfrac{2\lambda}{\eta}}$, where $\eta$ is learning rate and $\lambda$ is weight decay. We show that this general approach is robust to rescaling of parameter and loss by proving that its convergence only depends logarithmically on the scale of initialization and loss, whereas the standard SGD might not even converge for many initializations. Following our recipe, we design a scale invariant version of BERT, called SIBERT, which when trained simply by vanilla SGD achieves performance comparable to BERT trained by adaptive methods like Adam on downstream tasks.
VC-PCR: A Prediction Method based on Supervised Variable Selection and Clustering
Authors: Rebecca Marion, Johannes Lederer, Bernadette Govaerts, Rainer von Sachs
Date: 2022-02-02 00:00:00
Tasks: Clustering, Prediction, regression, Variable Selection

Sparse linear prediction methods suffer from decreased prediction accuracy when the predictor variables have cluster structure (e.g. there are highly correlated groups of variables). To improve prediction accuracy, various methods have been proposed to identify variable clusters from the data and integrate cluster information into a sparse modeling process. But none of these methods achieve satisfactory performance for prediction, variable selection and variable clustering simultaneously. This paper presents Variable Cluster Principal Component Regression (VC-PCR), a prediction method that supervises variable selection and variable clustering in order to solve this problem. Experiments with real and simulated data demonstrate that, compared to competitor methods, VC-PCR achieves better prediction, variable selection and clustering performance when cluster structure is present.
What Has Been Enhanced in my Knowledge-Enhanced Language Model?
Authors: Yifan Hou, Guoji Fu, Mrinmaya Sachan
Date: 2022-02-02 00:00:00
Tasks: Graph Attention, Language Modeling, Language Modelling

Pretrained language models (LMs) do not capture factual knowledge very well. This has led to the development of a number of knowledge integration (KI) methods which aim to incorporate external knowledge into pretrained LMs. Even though KI methods show some performance gains over vanilla LMs, the inner-workings of these methods are not well-understood. For instance, it is unclear how and what kind of knowledge is effectively integrated into these models and if such integration may lead to catastrophic forgetting of already learned knowledge. This paper revisits the KI process in these models with an information-theoretic view and shows that KI can be interpreted using a graph convolution operation. We propose a probe model called \textit{Graph Convolution Simulator} (GCS) for interpreting knowledge-enhanced LMs and exposing what kind of knowledge is integrated into these models. We conduct experiments to verify that our GCS can indeed be used to correctly interpret the KI process, and we use it to analyze two well-known knowledge-enhanced LMs: ERNIE and K-Adapter, and find that only a small amount of factual knowledge is integrated in them. We stratify knowledge in terms of various relation types and find that ERNIE and K-Adapter integrate different kinds of knowledge to different extent. Our analysis also shows that simply increasing the size of the KI corpus may not lead to better KI; fundamental advances may be needed.
Modularity-Aware Graph Autoencoders for Joint Community Detection and Link Prediction
Authors: Guillaume Salha-Galvan, Johannes F. Lutzeyer, George Dasoulas, Romain Hennequin, Michalis Vazirgiannis
Date: 2022-02-02 00:00:00
Tasks: Community Detection, Link Prediction, Prediction

Graph autoencoders (GAE) and variational graph autoencoders (VGAE) emerged as powerful methods for link prediction. Their performances are less impressive on community detection problems where, according to recent and concurring experimental evaluations, they are often outperformed by simpler alternatives such as the Louvain method. It is currently still unclear to which extent one can improve community detection with GAE and VGAE, especially in the absence of node features. It is moreover uncertain whether one could do so while simultaneously preserving good performances on link prediction. In this paper, we show that jointly addressing these two tasks with high accuracy is possible. For this purpose, we introduce and theoretically study a community-preserving message passing scheme, doping our GAE and VGAE encoders by considering both the initial graph structure and modularity-based prior communities when computing embedding spaces. We also propose novel training and optimization strategies, including the introduction of a modularity-inspired regularizer complementing the existing reconstruction losses for joint link prediction and community detection. We demonstrate the empirical effectiveness of our approach, referred to as Modularity-Aware GAE and VGAE, through in-depth experimental validation on various real-world graphs.
Asynchronous Decentralized Learning over Unreliable Wireless Networks
Authors: Eunjeong Jeong, Matteo Zecchin, Marios Kountouris
Date: 2022-02-02 00:00:00

Decentralized learning enables edge users to collaboratively train models by exchanging information via device-to-device communication, yet prior works have been limited to wireless networks with fixed topologies and reliable workers. In this work, we propose an asynchronous decentralized stochastic gradient descent (DSGD) algorithm, which is robust to the inherent computation and communication failures occurring at the wireless network edge. We theoretically analyze its performance and establish a non-asymptotic convergence guarantee. Experimental results corroborate our analysis, demonstrating the benefits of asynchronicity and outdated gradient information reuse in decentralized learning over unreliable wireless networks.
Approximative Algorithms for Multi-Marginal Optimal Transport and Free-Support Wasserstein Barycenters
Authors: Johannes von Lindheim
Date: 2022-02-02 00:00:00

Computationally solving multi-marginal optimal transport (MOT) with squared Euclidean costs for $N$ discrete probability measures has recently attracted considerable attention, in part because of the correspondence of its solutions with Wasserstein-$2$ barycenters, which have many applications in data science. In general, this problem is NP-hard, calling for practical approximative algorithms. While entropic regularization has been successfully applied to approximate Wasserstein barycenters, this loses the sparsity of the optimal solution, making it difficult to solve the MOT problem directly in practice because of the curse of dimensionality. Thus, for obtaining barycenters, one usually resorts to fixed-support restrictions to a grid, which is, however, prohibitive in higher ambient dimensions $d$. In this paper, after analyzing the relationship between MOT and barycenters, we present two algorithms to approximate the solution of MOT directly, requiring mainly just $N-1$ standard two-marginal OT computations. Thus, they are fast, memory-efficient and easy to implement and can be used with any sparse OT solver as a black box. Moreover, they produce sparse solutions and show promising numerical results. We analyze these algorithms theoretically, proving upper and lower bounds for the relative approximation error.
Non-Stationary Dueling Bandits
Authors: Patrick Kolpaczki, Viktor Bengs, Eyke Hüllermeier
Date: 2022-02-02 00:00:00

We study the non-stationary dueling bandits problem with $K$ arms, where the time horizon $T$ consists of $M$ stationary segments, each of which is associated with its own preference matrix. The learner repeatedly selects a pair of arms and observes a binary preference between them as feedback. To minimize the accumulated regret, the learner needs to pick the Condorcet winner of each stationary segment as often as possible, despite preference matrices and segment lengths being unknown. We propose the $\mathrm{Beat\, the\, Winner\, Reset}$ algorithm and prove a bound on its expected binary weak regret in the stationary case, which tightens the bound of current state-of-art algorithms. We also show a regret bound for the non-stationary case, without requiring knowledge of $M$ or $T$. We further propose and analyze two meta-algorithms, $\mathrm{DETECT}$ for weak regret and $\mathrm{Monitored\, Dueling\, Bandits}$ for strong regret, both based on a detection-window approach that can incorporate any dueling bandit algorithm as a black-box algorithm. Finally, we prove a worst-case lower bound for expected weak regret in the non-stationary case.
Invariant Ancestry Search
Authors: Phillip B. Mogensen, Nikolaj Thams, Jonas Peters
Date: 2022-02-02 00:00:00

Recently, methods have been proposed that exploit the invariance of prediction models with respect to changing environments to infer subsets of the causal parents of a response variable. If the environments influence only few of the underlying mechanisms, the subset identified by invariant causal prediction (ICP), for example, may be small, or even empty. We introduce the concept of minimal invariance and propose invariant ancestry search (IAS). In its population version, IAS outputs a set which contains only ancestors of the response and is a superset of the output of ICP. When applied to data, corresponding guarantees hold asymptotically if the underlying test for invariance has asymptotic level and power. We develop scalable algorithms and perform experiments on simulated and real data.
Mold into a Graph: Efficient Bayesian Optimization over Mixed-Spaces
Authors: Jaeyeon Ahn, Taehyeon Kim, Seyoung Yun
Date: 2022-02-02 00:00:00
Tasks: Bayesian Optimization, Computational Efficiency, Graph structure learning

Real-world optimization problems are generally not just black-box problems, but also involve mixed types of inputs in which discrete and continuous variables coexist. Such mixed-space optimization possesses the primary challenge of modeling complex interactions between the inputs. In this work, we propose a novel yet simple approach that entails exploiting the graph data structure to model the underlying relationship between variables, i.e., variables as nodes and interactions defined by edges. Then, a variational graph autoencoder is used to naturally take the interactions into account. We first provide empirical evidence of the existence of such graph structures and then suggest a joint framework of graph structure learning and latent space optimization to adaptively search for optimal graph connectivity. Experimental results demonstrate that our method shows remarkable performance, exceeding the existing approaches with significant computational efficiency for a number of synthetic and real-world tasks.
MPVNN: Mutated Pathway Visible Neural Network Architecture for Interpretable Prediction of Cancer-specific Survival Risk
Authors: Gourab Ghosh Roy, Nicholas Geard, Karin Verspoor, Shan He
Date: 2022-02-02 00:00:00
Tasks: Prediction, Survival Analysis

Survival risk prediction using gene expression data is important in making treatment decisions in cancer. Standard neural network (NN) survival analysis models are black boxes with lack of interpretability. More interpretable visible neural network (VNN) architectures are designed using biological pathway knowledge. But they do not model how pathway structures can change for particular cancer types. We propose a novel Mutated Pathway VNN or MPVNN architecture, designed using prior signaling pathway knowledge and gene mutation data-based edge randomization simulating signal flow disruption. As a case study, we use the PI3K-Akt pathway and demonstrate overall improved cancer-specific survival risk prediction results of MPVNN over standard non-NN and other similar sized NN survival analysis methods. We show that trained MPVNN architecture interpretation, which points to smaller sets of genes connected by signal flow within the PI3K-Akt pathway that are important in risk prediction for particular cancer types, is reliable.
Efficient Algorithms for Learning to Control Bandits with Unobserved Contexts
Authors: Hongju Park, Mohamad Kazem Shirani Faradonbeh
Date: 2022-02-02 00:00:00
Tasks: Multi-Armed Bandits

Contextual bandits are widely-used in the study of learning-based control policies for finite action spaces. While the problem is well-studied for bandits with perfectly observed context vectors, little is known about the case of imperfectly observed contexts. For this setting, existing approaches are inapplicable and new conceptual and technical frameworks are required. We present an implementable posterior sampling algorithm for bandits with imperfect context observations and study its performance for learning optimal decisions. The provided numerical results relate the performance of the algorithm to different quantities of interest including the number of arms, dimensions, observation matrices, posterior rescaling factors, and signal-to-noise ratios. In general, the proposed algorithm exposes efficiency in learning from the noisy imperfect observations and taking actions accordingly. Enlightening understandings the analyses provide as well as interesting future directions it points to, are discussed as well.
The Role of Linear Layers in Nonlinear Interpolating Networks
Authors: Greg Ongie, Rebecca Willett
Date: 2022-02-02 00:00:00

This paper explores the implicit bias of overparameterized neural networks of depth greater than two layers. Our framework considers a family of networks of varying depth that all have the same capacity but different implicitly defined representation costs. The representation cost of a function induced by a neural network architecture is the minimum sum of squared weights needed for the network to represent the function; it reflects the function space bias associated with the architecture. Our results show that adding linear layers to a ReLU network yields a representation cost that reflects a complex interplay between the alignment and sparsity of ReLU units. Specifically, using a neural network to fit training data with minimum representation cost yields an interpolating function that is constant in directions perpendicular to a low-dimensional subspace on which a parsimonious interpolant exists.
Some Reflections on Drawing Causal Inference using Textual Data: Parallels Between Human Subjects and Organized Texts
Authors: Bo Zhang, Jiayao Zhang
Date: 2022-02-02 00:00:00
Tasks: Causal Inference

We examine the role of textual data as study units when conducting causal inference by drawing parallels between human subjects and organized texts. %in human population research. We elaborate on key causal concepts and principles, and expose some ambiguity and sometimes fallacies. To facilitate better framing a causal query, we discuss two strategies: (i) shifting from immutable traits to perceptions of them, and (ii) shifting from some abstract concept/property to its constituent parts, i.e., adopting a constructivist perspective of an abstract concept. We hope this article would raise the awareness of the importance of articulating and clarifying fundamental concepts before delving into developing methodologies when drawing causal inference using textual data.
Adaptive Experimentation with Delayed Binary Feedback
Authors: Zenan Wang, Carlos Carrion, Xiliang Lin, Fuhua Ji, Yongjun Bao, Weipeng Yan
Date: 2022-02-02 00:00:00
Tasks: Multi-Armed Bandits, valid

Conducting experiments with objectives that take significant delays to materialize (e.g. conversions, add-to-cart events, etc.) is challenging. Although the classical "split sample testing" is still valid for the delayed feedback, the experiment will take longer to complete, which also means spending more resources on worse-performing strategies due to their fixed allocation schedules. Alternatively, adaptive approaches such as "multi-armed bandits" are able to effectively reduce the cost of experimentation. But these methods generally cannot handle delayed objectives directly out of the box. This paper presents an adaptive experimentation solution tailored for delayed binary feedback objectives by estimating the real underlying objectives before they materialize and dynamically allocating variants based on the estimates. Experiments show that the proposed method is more efficient for delayed feedback compared to various other approaches and is robust in different settings. In addition, we describe an experimentation product powered by this algorithm. This product is currently deployed in the online experimentation platform of JD.com, a large e-commerce company and a publisher of digital ads.
KSD Aggregated Goodness-of-fit Test
Authors: Antonin Schrab, Benjamin Guedj, Arthur Gretton
Date: 2022-02-02 00:00:00

We investigate properties of goodness-of-fit tests based on the Kernel Stein Discrepancy (KSD). We introduce a strategy to construct a test, called KSDAgg, which aggregates multiple tests with different kernels. KSDAgg avoids splitting the data to perform kernel selection (which leads to a loss in test power), and rather maximises the test power over a collection of kernels. We provide non-asymptotic guarantees on the power of KSDAgg: we show it achieves the smallest uniform separation rate of the collection, up to a logarithmic term. For compactly supported densities with bounded model score function, we derive the rate for KSDAgg over restricted Sobolev balls; this rate corresponds to the minimax optimal rate over unrestricted Sobolev balls, up to an iterated logarithmic term. KSDAgg can be computed exactly in practice as it relies either on a parametric bootstrap or on a wild bootstrap to estimate the quantiles and the level corrections. In particular, for the crucial choice of bandwidth of a fixed kernel, it avoids resorting to arbitrary heuristics (such as median or standard deviation) or to data splitting. We find on both synthetic and real-world data that KSDAgg outperforms other state-of-the-art quadratic-time adaptive KSD-based goodness-of-fit testing procedures.
Optimizing Sequential Experimental Design with Deep Reinforcement Learning
Authors: Tom Blau, Edwin V. Bonilla, Iadine Chades, Amir Dezfouli
Date: 2022-02-02 00:00:00
Tasks: Deep Reinforcement Learning, Experimental Design, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches practical, by training a parameterized policy that proposes designs efficiently at deployment time. However, these methods may not sufficiently explore the design space, require access to a differentiable probabilistic model and can only optimize over continuous design spaces. Here, we address these limitations by showing that the problem of optimizing policies can be reduced to solving a Markov decision process (MDP). We solve the equivalent MDP with modern deep reinforcement learning techniques. Our experiments show that our approach is also computationally efficient at deployment time and exhibits state-of-the-art performance on both continuous and discrete design spaces, even when the probabilistic model is a black box.
Reinforcement learning of optimal active particle navigation
Authors: Mahdi Nasiri, Benno Liebchen
Date: 2022-02-01 00:00:00
Tasks: Deep Reinforcement Learning, Navigate, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

The development of self-propelled particles at the micro- and the nanoscale has sparked a huge potential for future applications in active matter physics, microsurgery, and targeted drug delivery. However, while the latter applications provoke the quest on how to optimally navigate towards a target, such as e.g. a cancer cell, there is still no simple way known to determine the optimal route in sufficiently complex environments. Here we develop a machine learning-based approach that allows us, for the first time, to determine the asymptotically optimal path of a self-propelled agent which can freely steer in complex environments. Our method hinges on policy gradient-based deep reinforcement learning techniques and, crucially, does not require any reward shaping or heuristics. The presented method provides a powerful alternative to current analytical methods to calculate optimal trajectories and opens a route towards a universal path planner for future intelligent active particles.