pwc-archive/papers-with-abstracts huggingface dataset:
Extrapolative Controlled Sequence Generation via Iterative Refinement
Authors: Vishakh Padmakumar, Richard Yuanzhe Pang, He He, Ankur P. Parikh
Date: 2023-03-08 00:00:00
Tasks: Attribute, Drug Discovery, Sentiment Analysis

We study the problem of extrapolative controlled generation, i.e., generating sequences with attribute values beyond the range seen in training. This task is of significant importance in automated design, especially drug discovery, where the goal is to design novel proteins that are \textit{better} (e.g., more stable) than existing sequences. Thus, by definition, the target sequences and their attribute values are out of the training distribution, posing challenges to existing methods that aim to directly generate the target sequence. Instead, in this work, we propose Iterative Controlled Extrapolation (ICE) which iteratively makes local edits to a sequence to enable extrapolation. We train the model on synthetically generated sequence pairs that demonstrate small improvement in the attribute value. Results on one natural language task (sentiment analysis) and two protein engineering tasks (ACE2 stability and AAV fitness) show that ICE considerably outperforms state-of-the-art approaches despite its simplicity. Our code and models are available at: https://github.com/vishakhpk/iter-extrapolation.
Byzantine-Robust Loopless Stochastic Variance-Reduced Gradient
Authors: Nikita Fedin, Eduard Gorbunov
Date: 2023-03-08 00:00:00
Tasks: Distributed Optimization

Distributed optimization with open collaboration is a popular field since it provides an opportunity for small groups/companies/universities, and individuals to jointly solve huge-scale problems. However, standard optimization algorithms are fragile in such settings due to the possible presence of so-called Byzantine workers -- participants that can send (intentionally or not) incorrect information instead of the one prescribed by the protocol (e.g., send anti-gradient instead of stochastic gradients). Thus, the problem of designing distributed methods with provable robustness to Byzantine workers has been receiving a lot of attention recently. In particular, several works consider a very promising way to achieve Byzantine tolerance via exploiting variance reduction and robust aggregation. The existing approaches use SAGA- and SARAH-type variance-reduced estimators, while another popular estimator -- SVRG -- is not studied in the context of Byzantine-robustness. In this work, we close this gap in the literature and propose a new method -- Byzantine-Robust Loopless Stochastic Variance Reduced Gradient (BR-LSVRG). We derive non-asymptotic convergence guarantees for the new method in the strongly convex case and compare its performance with existing approaches in numerical experiments.
Streaming Kernel PCA Algorithm With Small Space
Authors: Yichuan Deng, Zhao Song, Zifan Wang, Han Zhang
Date: 2023-03-08 00:00:00

Principal Component Analysis (PCA) is a widely used technique in machine learning, data analysis and signal processing. With the increase in the size and complexity of datasets, it has become important to develop low-space usage algorithms for PCA. Streaming PCA has gained significant attention in recent years, as it can handle large datasets efficiently. The kernel method, which is commonly used in learning algorithms such as Support Vector Machines (SVMs), has also been applied in PCA algorithms. We propose a streaming algorithm for Kernel PCA problems based on the traditional scheme by Oja. Our algorithm addresses the challenge of reducing the memory usage of PCA while maintaining its accuracy. We analyze the performance of our algorithm by studying the conditions under which it succeeds. Specifically, we show that, when the spectral ratio $R := \lambda_1/\lambda_2$ of the target covariance matrix is lower bounded by $C \cdot \log n\cdot \log d$, the streaming PCA can be solved with $O(d)$ space cost. Our proposed algorithm has several advantages over existing methods. First, it is a streaming algorithm that can handle large datasets efficiently. Second, it employs the kernel method, which allows it to capture complex nonlinear relationships among data points. Third, it has a low-space usage, making it suitable for applications where memory is limited.
Sketching with Spherical Designs for Noisy Data Fitting on Spheres
Authors: Shao-Bo Lin, Di Wang, Ding-Xuan Zhou
Date: 2023-03-08 00:00:00

This paper proposes a sketching strategy based on spherical designs, which is applied to the classical spherical basis function approach for massive spherical data fitting. We conduct theoretical analysis and numerical verifications to demonstrate the feasibility of the proposed { sketching} strategy. From the theoretical side, we prove that sketching based on spherical designs can reduce the computational burden of the spherical basis function approach without sacrificing its approximation capability. In particular, we provide upper and lower bounds for the proposed { sketching} strategy to fit noisy data on spheres. From the experimental side, we numerically illustrate the feasibility of the sketching strategy by showing its comparable fitting performance with the spherical basis function approach. These interesting findings show that the proposed sketching strategy is capable of fitting massive and noisy data on spheres.
A robust method for reliability updating with equality information using sequential adaptive importance sampling
Authors: Xiong Xiao, Zeyu Wang, Quanwang Li
Date: 2023-03-08 00:00:00
Tasks: Computational Efficiency

Reliability updating refers to a problem that integrates Bayesian updating technique with structural reliability analysis and cannot be directly solved by structural reliability methods (SRMs) when it involves equality information. The state-of-the-art approaches transform equality information into inequality information by introducing an auxiliary standard normal parameter. These methods, however, encounter the loss of computational efficiency due to the difficulty in finding the maximum of the likelihood function, the large coefficient of variation (COV) associated with the posterior failure probability and the inapplicability to dynamic updating problems where new information is constantly available. To overcome these limitations, this paper proposes an innovative method called RU-SAIS (reliability updating using sequential adaptive importance sampling), which combines elements of sequential importance sampling and K-means clustering to construct a series of important sampling densities (ISDs) using Gaussian mixture. The last ISD of the sequence is further adaptively modified through application of the cross entropy method. The performance of RU-SAIS is demonstrated by three examples. Results show that RU-SAIS achieves a more accurate and robust estimator of the posterior failure probability than the existing methods such as subset simulation.
Better Together: Using Multi-task Learning to Improve Feature Selection within Structural Datasets
Authors: S. C. Bee, E. Papatheou, M Haywood-Alexander, R. S. Mills, L. A. Bull, K. Worden, N. Dervilis
Date: 2023-03-08 00:00:00
Tasks: feature selection, Multi-Task Learning, Structural Health Monitoring

There have been recent efforts to move to population-based structural health monitoring (PBSHM) systems. One area of PBSHM which has been recognised for potential development is the use of multi-task learning (MTL); algorithms which differ from traditional independent learning algorithms. Presented here is the use of the MTL, ''Joint Feature Selection with LASSO'', to provide automatic feature selection for a structural dataset. The classification task is to differentiate between the port and starboard side of a tailplane, for samples from two aircraft of the same model. The independent learner produced perfect F1 scores but had poor engineering insight; whereas the MTL results were interpretable, highlighting structural differences as opposed to differences in experimental set-up.
Extracting Digital Biomarkers for Unobtrusive Stress State Screening from Multimodal Wearable Data
Authors: Berrenur Saylam, Özlem Durmaz İncel
Date: 2023-03-08 00:00:00
Tasks: feature selection

With the development of wearable technologies, a new kind of healthcare data has become valuable as medical information. These data provide meaningful information regarding an individual's physiological and psychological states, such as activity level, mood, stress, and cognitive health. These biomarkers are named digital since they are collected from digital devices integrated with various sensors. In this study, we explore digital biomarkers related to stress modality by examining data collected from mobile phones and smartwatches. We utilize machine learning techniques on the Tesserae dataset, precisely Random Forest, to extract stress biomarkers. Using feature selection techniques, we utilize weather, activity, heart rate (HR), stress, sleep, and location (work-home) measurements from wearables to determine the most important stress-related biomarkers. We believe we contribute to interpreting stress biomarkers with a high range of features from different devices. In addition, we classify the $5$ different stress levels with the most important features, and our results show that we can achieve $85\%$ overall class accuracy by adjusting class imbalance and adding extra features related to personality characteristics. We perform similar and even better results in recognizing stress states with digital biomarkers in a daily-life scenario targeting a higher number of classes compared to the related studies.
Graph Neural Networks Enhanced Smart Contract Vulnerability Detection of Educational Blockchain
Authors: Zhifeng Wang, Wanxuan Wu, Chunyan Zeng, Jialong Yao, Yang Yang, Hongmin Xu
Date: 2023-03-08 00:00:00
Tasks: Graph Neural Network, Vulnerability Detection

With the development of blockchain technology, more and more attention has been paid to the intersection of blockchain and education, and various educational evaluation systems and E-learning systems are developed based on blockchain technology. Among them, Ethereum smart contract is favored by developers for its ``event-triggered" mechanism for building education intelligent trading systems and intelligent learning platforms. However, due to the immutability of blockchain, published smart contracts cannot be modified, so problematic contracts cannot be fixed by modifying the code in the educational blockchain. In recent years, security incidents due to smart contract vulnerabilities have caused huge property losses, so the detection of smart contract vulnerabilities in educational blockchain has become a great challenge. To solve this problem, this paper proposes a graph neural network (GNN) based vulnerability detection for smart contracts in educational blockchains. Firstly, the bytecodes are decompiled to get the opcode. Secondly, the basic blocks are divided, and the edges between the basic blocks according to the opcode execution logic are added. Then, the control flow graphs (CFG) are built. Finally, we designed a GNN-based model for vulnerability detection. The experimental results show that the proposed method is effective for the vulnerability detection of smart contracts. Compared with the traditional approaches, it can get good results with fewer layers of the GCN model, which shows that the contract bytecode and GCN model are efficient in vulnerability detection.
Nonlinear Kalman Filtering with Reparametrization Gradients
Authors: San Gultekin, Brendan Kitts, Aaron Flores, John Paisley
Date: 2023-03-08 00:00:00

We introduce a novel nonlinear Kalman filter that utilizes reparametrization gradients. The widely used parametric approximation is based on a jointly Gaussian assumption of the state-space model, which is in turn equivalent to minimizing an approximation to the Kullback-Leibler divergence. It is possible to obtain better approximations using the alpha divergence, but the resulting problem is substantially more complex. In this paper, we introduce an alternate formulation based on an energy function, which can be optimized instead of the alpha divergence. The optimization can be carried out using reparametrization gradients, a technique that has recently been utilized in a number of deep learning models.
An ADMM Solver for the MKL-$L_{0/1}$-SVM
Authors: Yijie Shi, Bin Zhu
Date: 2023-03-08 00:00:00

We formulate the Multiple Kernel Learning (abbreviated as MKL) problem for the support vector machine with the infamous $(0,1)$-loss function. Some first-order optimality conditions are given and then exploited to develop a fast ADMM solver for the nonconvex and nonsmooth optimization problem. A simple numerical experiment on synthetic planar data shows that our MKL-$L_{0/1}$-SVM framework could be promising.
Learning Hybrid Interpretable Models: Theory, Taxonomy, and Methods
Authors: Julien Ferry, Gabriel Laberge, Ulrich Aïvodji
Date: 2023-03-08 00:00:00

A hybrid model involves the cooperation of an interpretable model and a complex black box. At inference, any input of the hybrid model is assigned to either its interpretable or complex component based on a gating mechanism. The advantages of such models over classical ones are two-fold: 1) They grant users precise control over the level of transparency of the system and 2) They can potentially perform better than a standalone black box since redirecting some of the inputs to an interpretable model implicitly acts as regularization. Still, despite their high potential, hybrid models remain under-studied in the interpretability/explainability literature. In this paper, we remedy this fact by presenting a thorough investigation of such models from three perspectives: Theory, Taxonomy, and Methods. First, we explore the theory behind the generalization of hybrid models from the Probably-Approximately-Correct (PAC) perspective. A consequence of our PAC guarantee is the existence of a sweet spot for the optimal transparency of the system. When such a sweet spot is attained, a hybrid model can potentially perform better than a standalone black box. Secondly, we provide a general taxonomy for the different ways of training hybrid models: the Post-Black-Box and Pre-Black-Box paradigms. These approaches differ in the order in which the interpretable and complex components are trained. We show where the state-of-the-art hybrid models Hybrid-Rule-Set and Companion-Rule-List fall in this taxonomy. Thirdly, we implement the two paradigms in a single method: HybridCORELS, which extends the CORELS algorithm to hybrid modeling. By leveraging CORELS, HybridCORELS provides a certificate of optimality of its interpretable component and precise control over transparency. We finally show empirically that HybridCORELS is competitive with existing hybrid models, and performs just as well as a standalone black box (or even better) while being partly transparent.
A comparison of rational and neural network based approximations
Authors: Vinesha Peiris, Reinier Diaz Millan, Nadezda Sukhorukova, Julien Ugon
Date: 2023-03-08 00:00:00

Rational and neural network based approximations are efficient tools in modern approximation. These approaches are able to produce accurate approximations to nonsmooth and non-Lipschitz functions, including multivariate domain functions. In this paper we compare the efficiency of function approximation using rational approximation, neural network and their combinations. It was found that rational approximation is superior to neural network based approaches with the same number of decision variables. Our numerical experiments demonstrate the efficiency of rational approximation, even when the number of approximation parameters (that is, the dimension of the corresponding optimisation problems) is small. Another important contribution of this paper lies in the improvement of rational approximation algorithms. Namely, the optimisation based algorithms for rational approximation can be adjusted to in such a way that the conditioning number of the constraint matrices are controlled. This simple adjustment enables us to work with high dimension optimisation problems and improve the design of the neural network. The main strength of neural networks is in their ability to handle models with a large number of variables: complex models are decomposed in several simple optimisation problems. Therefore the the large number of decision variables is in the nature of neural networks.
Inference on Optimal Dynamic Policies via Softmax Approximation
Authors: Qizhao Chen, Morgane Austern, Vasilis Syrgkanis
Date: 2023-03-08 00:00:00
Tasks: Causal Inference, Decision Making, valid

Estimating optimal dynamic policies from offline data is a fundamental problem in dynamic decision making. In the context of causal inference, the problem is known as estimating the optimal dynamic treatment regime. Even though there exists a plethora of methods for estimation, constructing confidence intervals for the value of the optimal regime and structural parameters associated with it is inherently harder, as it involves non-linear and non-differentiable functionals of unknown quantities that need to be estimated. Prior work resorted to sub-sample approaches that can deteriorate the quality of the estimate. We show that a simple soft-max approximation to the optimal treatment regime, for an appropriately fast growing temperature parameter, can achieve valid inference on the truly optimal regime. We illustrate our result for a two-period optimal dynamic regime, though our approach should directly extend to the finite horizon case. Our work combines techniques from semi-parametric inference and $g$-estimation, together with an appropriate triangular array central limit theorem, as well as a novel analysis of the asymptotic influence and asymptotic bias of softmax approximations.
The Lie-Group Bayesian Learning Rule
Authors: Eren Mehmet Kıral, Thomas Möllenhoff, Mohammad Emtiyaz Khan
Date: 2023-03-08 00:00:00

The Bayesian Learning Rule provides a framework for generic algorithm design but can be difficult to use for three reasons. First, it requires a specific parameterization of exponential family. Second, it uses gradients which can be difficult to compute. Third, its update may not always stay on the manifold. We address these difficulties by proposing an extension based on Lie-groups where posteriors are parametrized through transformations of an arbitrary base distribution and updated via the group's exponential map. This simplifies all three difficulties for many cases, providing flexible parametrizations through group's action, simple gradient computation through reparameterization, and updates that always stay on the manifold. We use the new learning rule to derive a new algorithm for deep learning with desirable biologically-plausible attributes to learn sparse features. Our work opens a new frontier for the design of new algorithms by exploiting Lie-group structures.
A Deep-Learning-Based Neural Decoding Framework for Emotional Brain-Computer Interfaces
Authors: Xinming Wu, Ji Dai
Date: 2023-03-08 00:00:00
Tasks: Emotion Recognition

Reading emotions precisely from segments of neural activity is crucial for the development of emotional brain-computer interfaces. Among all neural decoding algorithms, deep learning (DL) holds the potential to become the most promising one, yet progress has been limited in recent years. One possible reason is that the efficacy of DL strongly relies on training samples, yet the neural data used for training are often from non-human primates and mixed with plenty of noise, which in turn mislead the training of DL models. Given it is difficult to accurately determine animals' emotions from humans' perspective, we assume the dominant noise in neural data representing different emotions is the labeling error. Here, we report the development and application of a neural decoding framework called Emo-Net that consists of a confidence learning (CL) component and a DL component. The framework is fully data-driven and is capable of decoding emotions from multiple datasets obtained from behaving monkeys. In addition to improving the decoding ability, Emo-Net significantly improves the performance of the base DL models, making emotion recognition in animal models possible. In summary, this framework may inspire novel understandings of the neural basis of emotion and drive the realization of close-loop emotional brain-computer interfaces.
Automatically Auditing Large Language Models via Discrete Optimization
Authors: Erik Jones, Anca Dragan, aditi raghunathan, Jacob Steinhardt
Date: 2023-03-08 00:00:00

Auditing large language models for unexpected behaviors is critical to preempt catastrophic deployments, yet remains challenging. In this work, we cast auditing as an optimization problem, where we automatically search for input-output pairs that match a desired target behavior. For example, we might aim to find a non-toxic input that starts with "Barack Obama" that a model maps to a toxic output. This optimization problem is difficult to solve as the set of feasible points is sparse, the space is discrete, and the language models we audit are non-linear and high-dimensional. To combat these challenges, we introduce a discrete optimization algorithm, ARCA, that jointly and efficiently optimizes over inputs and outputs. Our approach automatically uncovers derogatory completions about celebrities (e.g. "Barack Obama is a legalized unborn" -> "child murderer"), produces French inputs that complete to English outputs, and finds inputs that generate a specific name. Our work offers a promising new tool to uncover models' failure-modes before deployment.
HappyMap: A Generalized Multi-calibration Method
Authors: Zhun Deng, Cynthia Dwork, Linjun Zhang
Date: 2023-03-08 00:00:00
Tasks: Conformal Prediction, Fairness, Uncertainty Quantification

Multi-calibration is a powerful and evolving concept originating in the field of algorithmic fairness. For a predictor $f$ that estimates the outcome $y$ given covariates $x$, and for a function class $\mathcal{C}$, multi-calibration requires that the predictor $f(x)$ and outcome $y$ are indistinguishable under the class of auditors in $\mathcal{C}$. Fairness is captured by incorporating demographic subgroups into the class of functions~$\mathcal{C}$. Recent work has shown that, by enriching the class $\mathcal{C}$ to incorporate appropriate propensity re-weighting functions, multi-calibration also yields target-independent learning, wherein a model trained on a source domain performs well on unseen, future, target domains(approximately) captured by the re-weightings. Formally, multi-calibration with respect to $\mathcal{C}$ bounds $\big|\mathbb{E}_{(x,y)\sim \mathcal{D}}[c(f(x),x)\cdot(f(x)-y)]\big|$ for all $c \in \mathcal{C}$. In this work, we view the term $(f(x)-y)$ as just one specific mapping, and explore the power of an enriched class of mappings. We propose \textit{HappyMap}, a generalization of multi-calibration, which yields a wide range of new applications, including a new fairness notion for uncertainty quantification (conformal prediction), a novel technique for conformal prediction under covariate shift, and a different approach to analyzing missing data, while also yielding a unified understanding of several existing seemingly disparate algorithmic fairness notions and target-independent learning approaches. We give a single \textit{HappyMap} meta-algorithm that captures all these results, together with a sufficiency condition for its success.