pwc-archive/papers-with-abstracts huggingface dataset:
End-to-End Learning of Hybrid Inverse Dynamics Models for Precise and Compliant Impedance Control
Authors: Moritz Reuss, Niels van Duijkeren, Robert Krug, Philipp Becker, Vaisakh Shaj, Gerhard Neumann
Date: 2022-05-27 00:00:00
Tasks: Friction

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects that remain challenging to capture, e.g., stick-slip friction and mechanical flexibilities. Such effects exhibit hysteresis and partial observability, rendering them, particularly challenging to model. Hence, hybrid models, which combine a physical prior with data-driven approaches are especially well-suited in this setting. We present a novel hybrid model formulation that enables us to identify fully physically consistent inertial parameters of a rigid body dynamics model which is paired with a recurrent neural network architecture, allowing us to capture unmodeled partially observable effects using the network memory. We compare our approach against state-of-the-art inverse dynamics models on a 7 degree of freedom manipulator. Using data sets obtained through an optimal experiment design approach, we study the accuracy of offline torque prediction and generalization capabilities of joint learning methods. In control experiments on the real system, we evaluate the model as a feed-forward term for impedance control and show the feedback gains can be drastically reduced to achieve a given tracking accuracy.
Generalization Bounds for Gradient Methods via Discrete and Continuous Prior
Authors: Xuanyuan Luo, Luo Bei, Jian Li
Date: 2022-05-27 00:00:00
Tasks: Generalization Bounds, Learning Theory

Proving algorithm-dependent generalization error bounds for gradient-type optimization methods has attracted significant attention recently in learning theory. However, most existing trajectory-based analyses require either restrictive assumptions on the learning rate (e.g., fast decreasing learning rate), or continuous injected noise (such as the Gaussian noise in Langevin dynamics). In this paper, we introduce a new discrete data-dependent prior to the PAC-Bayesian framework, and prove a high probability generalization bound of order $O(\frac{1}{n}\cdot \sum_{t=1}^T(\gamma_t/\varepsilon_t)^2\left\|{\mathbf{g}_t}\right\|^2)$ for Floored GD (i.e. a version of gradient descent with precision level $\varepsilon_t$), where $n$ is the number of training samples, $\gamma_t$ is the learning rate at step $t$, $\mathbf{g}_t$ is roughly the difference of the gradient computed using all samples and that using only prior samples. $\left\|{\mathbf{g}_t}\right\|$ is upper bounded by and and typical much smaller than the gradient norm $\left\|{\nabla f(W_t)}\right\|$. We remark that our bound holds for nonconvex and nonsmooth scenarios. Moreover, our theoretical results provide numerically favorable upper bounds of testing errors (e.g., $0.037$ on MNIST). Using a similar technique, we can also obtain new generalization bounds for certain variants of SGD. Furthermore, we study the generalization bounds for gradient Langevin Dynamics (GLD). Using the same framework with a carefully constructed continuous prior, we show a new high probability generalization bound of order $O(\frac{1}{n} + \frac{L^2}{n^2}\sum_{t=1}^T(\gamma_t/\sigma_t)^2)$ for GLD. The new $1/n^2$ rate is due to the concentration of the difference between the gradient of training samples and that of the prior.
AsyncFedED: Asynchronous Federated Learning with Euclidean Distance based Adaptive Weight Aggregation
Authors: Qiyuan Wang, Qianqian Yang, Shibo He, Zhiguo Shi, Jiming Chen
Date: 2022-05-27 00:00:00
Tasks: Federated Learning

In an asynchronous federated learning framework, the server updates the global model once it receives an update from a client instead of waiting for all the updates to arrive as in the synchronous setting. This allows heterogeneous devices with varied computing power to train the local models without pausing, thereby speeding up the training process. However, it introduces the stale model problem, where the newly arrived update was calculated based on a set of stale weights that are older than the current global model, which may hurt the convergence of the model. In this paper, we present an asynchronous federated learning framework with a proposed adaptive weight aggregation algorithm, referred to as AsyncFedED. To the best of our knowledge this aggregation method is the first to take the staleness of the arrived gradients, measured by the Euclidean distance between the stale model and the current global model, and the number of local epochs that have been performed, into account. Assuming general non-convex loss functions, we prove the convergence of the proposed method theoretically. Numerical results validate the effectiveness of the proposed AsyncFedED in terms of the convergence rate and model accuracy compared to the existing methods for three considered tasks.
Text-Based Automatic Personality Prediction Using KGrAt-Net; A Knowledge Graph Attention Network Classifier
Authors: Majid Ramezani, Mohammad-Reza Feizi-Derakhshi, Mohammad-Ali Balafar
Date: 2022-05-27 00:00:00
Tasks: Graph Attention, Graph Embedding, Knowledge Graph Embedding, Knowledge Graphs

Nowadays, a tremendous amount of human communications occur on Internet-based communication infrastructures, like social networks, email, forums, organizational communication platforms, etc. Indeed, the automatic prediction or assessment of individuals' personalities through their written or exchanged text would be advantageous to ameliorate their relationships. To this end, this paper aims to propose KGrAt-Net, which is a Knowledge Graph Attention Network text classifier. For the first time, it applies the knowledge graph attention network to perform Automatic Personality Prediction (APP), according to the Big Five personality traits. After performing some preprocessing activities, it first tries to acquire a knowing-full representation of the knowledge behind the concepts in the input text by building its equivalent knowledge graph. A knowledge graph collects interlinked descriptions of concepts, entities, and relationships in a machine-readable form. Practically, it provides a machine-readable cognitive understanding of concepts and semantic relationships among them. Then, applying the attention mechanism, it attempts to pay attention to the most relevant parts of the graph to predict the personality traits of the input text. We used 2,467 essays from the Essays Dataset. The results demonstrated that KGrAt-Net considerably improved personality prediction accuracies (up to 70.26% on average). Furthermore, KGrAt-Net also uses knowledge graph embedding to enrich the classification, which makes it even more accurate (on average, 72.41%) in APP.
Tranception: protein fitness prediction with autoregressive transformers and inference-time retrieval
Authors: Pascal Notin, Mafalda Dias, Jonathan Frazer, Javier Marchena-Hurtado, Aidan Gomez, Debora S. Marks, Yarin Gal
Date: 2022-05-27 00:00:00
Tasks: Retrieval

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses and designing novel biotherapeutic proteins. Deep generative models of protein sequences trained on multiple sequence alignments have been the most successful approaches so far to address these tasks. The performance of these methods is however contingent on the availability of sufficiently deep and diverse alignments for reliable training. Their potential scope is thus limited by the fact many protein families are hard, if not impossible, to align. Large language models trained on massive quantities of non-aligned protein sequences from diverse families address these problems and show potential to eventually bridge the performance gap. We introduce Tranception, a novel transformer architecture leveraging autoregressive predictions and retrieval of homologous sequences at inference to achieve state-of-the-art fitness prediction performance. Given its markedly higher performance on multiple mutants, robustness to shallow alignments and ability to score indels, our approach offers significant gain of scope over existing approaches. To enable more rigorous model testing across a broader range of protein families, we develop ProteinGym -- an extensive set of multiplexed assays of variant effects, substantially increasing both the number and diversity of assays compared to existing benchmarks.
Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions
Authors: Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura, Anna M. Hiszpanski
Date: 2022-05-27 00:00:00

One of the grand challenges of utilizing machine learning for the discovery of innovative new polymers lies in the difficulty of accurately representing the complex structures of polymeric materials. Although a wide array of hand-designed polymer representations have been explored, there has yet to be an ideal solution for how to capture the periodicity of polymer structures, and how to develop polymer descriptors without the need for human feature design. In this work, we tackle these problems through the development of our periodic polymer graph representation. Our pipeline for polymer property predictions is comprised of our polymer graph representation that naturally accounts for the periodicity of polymers, followed by a message-passing neural network (MPNN) that leverages the power of graph deep learning to automatically learn chemically-relevant polymer descriptors. Across a diverse dataset of 10 polymer properties, we find that this polymer graph representation consistently outperforms hand-designed representations with a 20% average reduction in prediction error. Our results illustrate how the incorporation of chemical intuition through directly encoding periodicity into our polymer graph representation leads to a considerable improvement in the accuracy and reliability of polymer property predictions. We also demonstrate how combining polymer graph representations with message-passing neural network architectures can automatically extract meaningful polymer features that are consistent with human intuition, while outperforming human-derived features. This work highlights the advancement in predictive capability that is possible if using chemical descriptors that are specifically optimized for capturing the unique chemical structure of polymers.
HOUDINI: Escaping from Moderately Constrained Saddles
Authors: Dmitrii Avdiukhin, Grigory Yaroslavtsev
Date: 2022-05-27 00:00:00
Tasks: Open-Ended Question Answering

We give the first polynomial time algorithms for escaping from high-dimensional saddle points under a moderate number of constraints. Given gradient access to a smooth function $f \colon \mathbb R^d \to \mathbb R$ we show that (noisy) gradient descent methods can escape from saddle points under a logarithmic number of inequality constraints. This constitutes the first tangible progress (without reliance on NP-oracles or altering the definitions to only account for certain constraints) on the main open question of the breakthrough work of Ge et al. who showed an analogous result for unconstrained and equality-constrained problems. Our results hold for both regular and stochastic gradient descent.
Auto-PINN: Understanding and Optimizing Physics-Informed Neural Architecture
Authors: Yicheng Wang, Xiaotian Han, Chia-Yuan Chang, Daochen Zha, Ulisses Braga-Neto, Xia Hu
Date: 2022-05-27 00:00:00
Tasks: Hyperparameter Optimization, Neural Architecture Search

Physics-informed neural networks (PINNs) are revolutionizing science and engineering practice by bringing together the power of deep learning to bear on scientific computation. In forward modeling problems, PINNs are meshless partial differential equation (PDE) solvers that can handle irregular, high-dimensional physical domains. Naturally, the neural architecture hyperparameters have a large impact on the efficiency and accuracy of the PINN solver. However, this remains an open and challenging problem because of the large search space and the difficulty of identifying a proper search objective for PDEs. Here, we propose Auto-PINN, the first systematic, automated hyperparameter optimization approach for PINNs, which employs Neural Architecture Search (NAS) techniques to PINN design. Auto-PINN avoids manually or exhaustively searching the hyperparameter space associated with PINNs. A comprehensive set of pre-experiments using standard PDE benchmarks allows us to probe the structure-performance relationship in PINNs. We find that the different hyperparameters can be decoupled, and that the training loss function of PINNs is a good search objective. Comparison experiments with baseline methods demonstrate that Auto-PINN produces neural architectures with superior stability and accuracy over alternative baselines.
Regularized Gradient Descent Ascent for Two-Player Zero-Sum Markov Games
Authors: Sihan Zeng, Thinh T. Doan, Justin Romberg
Date: 2022-05-27 00:00:00
Tasks: Vocal Bursts Valence Prediction

We study the problem of finding the Nash equilibrium in a two-player zero-sum Markov game. Due to its formulation as a minimax optimization program, a natural approach to solve the problem is to perform gradient descent/ascent with respect to each player in an alternating fashion. However, due to the non-convexity/non-concavity of the underlying objective function, theoretical understandings of this method are limited. In our paper, we consider solving an entropy-regularized variant of the Markov game. The regularization introduces structure into the optimization landscape that make the solutions more identifiable and allow the problem to be solved more efficiently. Our main contribution is to show that under proper choices of the regularization parameter, the gradient descent ascent algorithm converges to the Nash equilibrium of the original unregularized problem. We explicitly characterize the finite-time performance of the last iterate of our algorithm, which vastly improves over the existing convergence bound of the gradient descent ascent algorithm without regularization. Finally, we complement the analysis with numerical simulations that illustrate the accelerated convergence of the algorithm.
Generating multivariate time series with COmmon Source CoordInated GAN (COSCI-GAN)
Authors: Ali Seyfi, Jean-Francois Rajotte, Raymond T. Ng
Date: 2022-05-27 00:00:00
Tasks: Time Series, Time Series Analysis

Generating multivariate time series is a promising approach for sharing sensitive data in many medical, financial, and IoT applications. A common type of multivariate time series originates from a single source such as the biometric measurements from a medical patient. This leads to complex dynamical patterns between individual time series that are hard to learn by typical generation models such as GANs. There is valuable information in those patterns that machine learning models can use to better classify, predict or perform other downstream tasks. We propose a novel framework that takes time series' common origin into account and favors channel/feature relationships preservation. The two key points of our method are: 1) the individual time series are generated from a common point in latent space and 2) a central discriminator favors the preservation of inter-channel/feature dynamics. We demonstrate empirically that our method helps preserve channel/feature correlations and that our synthetic data performs very well in downstream tasks with medical and financial data.
Towards Faithful and Consistent Explanations for Graph Neural Networks
Authors: Tianxiang Zhao, Dongsheng Luo, Xiang Zhang, Suhang Wang
Date: 2022-05-27 00:00:00
Tasks: Inductive Bias, Network Interpretation

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN relies upon for making predictions. Though various algorithms are proposed, most of them formalize this task by searching the minimal subgraph which can preserve original predictions. However, an inductive bias is deep-rooted in this framework: several subgraphs can result in the same or similar outputs as the original graphs. Consequently, they have the danger of providing spurious explanations and fail to provide consistent explanations. Applying them to explain weakly-performed GNNs would further amplify these issues. To address this problem, we theoretically examine the predictions of GNNs from the causality perspective. Two typical reasons of spurious explanations are identified: confounding effect of latent variables like distribution shift, and causal factors distinct from the original input. Observing that both confounding effects and diverse causal rationales are encoded in internal representations, we propose a simple yet effective countermeasure by aligning embeddings. Concretely, concerning potential shifts in the high-dimensional space, we design a distribution-aware alignment algorithm based on anchors. This new objective is easy to compute and can be incorporated into existing techniques with no or little effort. Theoretical analysis shows that it is in effect optimizing a more faithful explanation objective in design, which further justifies the proposed approach.
Can Foundation Models Help Us Achieve Perfect Secrecy?
Authors: Simran Arora, Christopher Ré
Date: 2022-05-27 00:00:00
Tasks: Federated Learning, In-Context Learning, Privacy Preserving

A key promise of machine learning is the ability to assist users with personal tasks. Because the personal context required to make accurate predictions is often sensitive, we require systems that protect privacy. A gold standard privacy-preserving system will satisfy perfect secrecy, meaning that interactions with the system provably reveal no private information. However, privacy and quality appear to be in tension in existing systems for personal tasks. Neural models typically require copious amounts of training to perform well, while individual users typically hold a limited scale of data, so federated learning (FL) systems propose to learn from the aggregate data of multiple users. FL does not provide perfect secrecy, but rather practitioners apply statistical notions of privacy -- i.e., the probability of learning private information about a user should be reasonably low. The strength of the privacy guarantee is governed by privacy parameters. Numerous privacy attacks have been demonstrated on FL systems and it can be challenging to reason about the appropriate privacy parameters for a privacy-sensitive use case. Therefore our work proposes a simple baseline for FL, which both provides the stronger perfect secrecy guarantee and does not require setting any privacy parameters. We initiate the study of when and where an emerging tool in ML -- the in-context learning abilities of recent pretrained models -- can be an effective baseline alongside FL. We find in-context learning is competitive with strong FL baselines on 6 of 7 popular benchmarks from the privacy literature and a real-world case study, which is disjoint from the pretraining data. We release our code here: https://github.com/simran-arora/focus
Hazard Gradient Penalty for Survival Analysis
Authors: Seungjae Jung, Kyung-Min Kim
Date: 2022-05-27 00:00:00
Tasks: Survival Analysis

Survival analysis appears in various fields such as medicine, economics, engineering, and business. Recent studies showed that the Ordinary Differential Equation (ODE) modeling framework unifies many existing survival models while the framework is flexible and widely applicable. However, naively applying the ODE framework to survival analysis problems may model fiercely changing density function which may worsen the model's performance. Though we can apply L1 or L2 regularizers to the ODE model, their effect on the ODE modeling framework is barely known. In this paper, we propose hazard gradient penalty (HGP) to enhance the performance of a survival analysis model. Our method imposes constraints on local data points by regularizing the gradient of hazard function with respect to the data point. Our method applies to any survival analysis model including the ODE modeling framework and is easy to implement. We theoretically show that our method is related to minimizing the KL divergence between the density function at a data point and that of the neighborhood points. Experimental results on three public benchmarks show that our approach outperforms other regularization methods.
Incorporating the Barzilai-Borwein Adaptive Step Size into Sugradient Methods for Deep Network Training
Authors: Antonio Robles-Kelly, Asef Nazari
Date: 2022-05-27 00:00:00

In this paper, we incorporate the Barzilai-Borwein step size into gradient descent methods used to train deep networks. This allows us to adapt the learning rate using a two-point approximation to the secant equation which quasi-Newton methods are based upon. Moreover, the adaptive learning rate method presented here is quite general in nature and can be applied to widely used gradient descent approaches such as Adagrad and RMSprop. We evaluate our method using standard example network architectures on widely available datasets and compare against alternatives elsewhere in the literature. In our experiments, our adaptive learning rate shows a smoother and faster convergence than that exhibited by the alternatives, with better or comparable performance.
Privacy of Noisy Stochastic Gradient Descent: More Iterations without More Privacy Loss
Authors: Jason M. Altschuler, Kunal Talwar
Date: 2022-05-27 00:00:00

A central issue in machine learning is how to train models on sensitive user data. Industry has widely adopted a simple algorithm: Stochastic Gradient Descent with noise (a.k.a. Stochastic Gradient Langevin Dynamics). However, foundational theoretical questions about this algorithm's privacy loss remain open -- even in the seemingly simple setting of smooth convex losses over a bounded domain. Our main result resolves these questions: for a large range of parameters, we characterize the differential privacy up to a constant factor. This result reveals that all previous analyses for this setting have the wrong qualitative behavior. Specifically, while previous privacy analyses increase ad infinitum in the number of iterations, we show that after a small burn-in period, running SGD longer leaks no further privacy. Our analysis departs from previous approaches based on fast mixing, instead using techniques based on optimal transport (namely, Privacy Amplification by Iteration) and the Sampled Gaussian Mechanism (namely, Privacy Amplification by Sampling). Our techniques readily extend to other settings, e.g., strongly convex losses, non-uniform stepsizes, arbitrary batch sizes, and random or cyclic choice of batches.