OpenRaiser/Intern-Atlas huggingface dataset:
Spectral Gap-Based Seismic Survey Design
Venue: arXiv cs.IT 2023
Year: 2023

Seismic imaging in challenging sedimentary basins and reservoirs requires acquiring, processing, and imaging very large volumes of data (tens of terabytes). To reduce the cost of acquisition and the time from acquiring the data to producing a subsurface image, novel acquisition systems based on compressive sensing, low-rank matrix recovery, and randomized sampling have been developed and implemented. These approaches allow practitioners to achieve dense wavefield reconstruction from a substantially reduced number of field samples. However, designing acquisition surveys suited for this new sampling paradigm remains a critical and challenging role in oil, gas, and geothermal exploration. Typical random designs studied in the low-rank matrix recovery and compressive sensing literature are difficult to achieve by standard industry hardware. For practical purposes, a compromise between stochastic and realizable samples is needed. In this paper, we propose a deterministic and computationally cheap tool to alleviate randomized acquisition design, prior to survey deployment and large-scale optimization. We consider universal and deterministic matrix completion results in the context of seismology, where a bipartite graph representation of the source-receiver layout allows for the respective spectral gap to act as a quality metric for wavefield reconstruction. We provide realistic scenarios to demonstrate the utility of the spectral gap as a flexible tool that can be incorporated into existing survey design workflows for successful seismic data acquisition via low-rank and sparse signal recovery.
Unsourced Multiple Access With Random User Activity
Venue: arXiv cs.IT 2023
Year: 2023

To account for the massive uncoordinated random access scenario, which is relevant for the Internet of Things, Polyanskiy (2017) proposed a novel formulation of the multiple-access problem, commonly referred to as unsourced multiple access, where all users employ a common codebook and the receiver decodes up to a permutation of the messages. We extend this seminal work to the case where the number of active users is random and unknown a priori. We define a random-access code accounting for both misdetection (MD) and false alarm (FA), and derive a random-coding achievability bound for the Gaussian multiple access channel. Our bound captures the fundamental trade-off between MD and FA. It suggests that the lack of knowledge of the number of active users entails a small penalty in energy efficiency when the target MD and FA probabilities are high. However, as the target MD and FA probabilities decrease, the energy efficiency penalty becomes significant. For example, in a typical IoT scenario, the required energy per bit to achieve both MD and FA probabilities below 0.1, predicted by our bound, is only 0.5-0.7 dB higher than that predicted by the bound in Polyanskiy (2017) for a known number of active users. This gap increases to 3-4 dB when the target MD and/or FA probability is 0.001. Taking both MD and FA into account, we use our bound to benchmark the energy efficiency of slotted ALOHA with multi-packet reception, of a decoder that treats interference as noise, and of some recently proposed coding schemes. Numerical results suggest that, when the target MD and FA probabilities are high, it is effective to estimate the number of active users, then treat this estimate as the true value, and use a coding scheme that performs well for the case of known number of active users. However, this approach becomes energy inefficient when the requirements on MD and FA probabilities are stringent.
Exact SOHS decompositions of trigonometric univariate polynomials with Gaussian coefficients
Venue: arXiv cs.SC 2023
Year: 2023

Certifying the positivity of trigonometric polynomials is of first importance for design problems in discrete-time signal processing. It is well known from the Riesz-Fejéz spectral factorization theorem that any trigonometric univariate polynomial positive on the unit circle can be decomposed as a Hermitian square with complex coefficients. Here we focus on the case of polynomials with Gaussian integer coefficients, i.e., with real and imaginary parts being integers. We design, analyze and compare, theoretically and practically,three hybrid numeric-symbolic algorithms computing weighted sums of Hermitian squares decompositions for trigonometric univariate polynomials positive on the unit circle with Gaussian coefficients. The numerical steps the first and second algorithm rely on are complex root isolation and semidefinite programming, respectively. An exact sum of Hermitian squares decomposition is obtained thanks to compensation techniques. The third algorithm, also based on complex semidefinite programming, is an adaptation of the rounding and projection algorithm by Peyrl and Parrilo. For all three algorithms, we prove bit complexity and output size estimates that are polynomial in the degree of the input and linear in the maximum bitsize of its coefficients. We compare their performance on randomly chosen benchmarks, and further design a certified finite impulse filter.
Toward Unsupervised Test Scenario Extraction for Automated Driving Systems from Urban Naturalistic Road Traffic Data
Venue: arXiv cs.SE 2023
Year: 2023

Scenario-based testing is a promising approach to solve the challenge of proving the safe behavior of vehicles equipped with automated driving systems. Since an infinite number of concrete scenarios can theoretically occur in real-world road traffic, the extraction of scenarios relevant in terms of the safety-related behavior of these systems is a key aspect for their successful verification and validation. Therefore, a method for extracting multimodal urban traffic scenarios from naturalistic road traffic data in an unsupervised manner, minimizing the amount of (potentially biased) prior expert knowledge, is proposed. Rather than an (elaborate) rule-based assignment by extracting concrete scenarios into predefined functional scenarios, the presented method deploys an unsupervised machine learning pipeline. The approach allows exploring the unknown nature of the data and their interpretation as test scenarios that experts could not have anticipated. The method is evaluated for naturalistic road traffic data at urban intersections from the inD and the Silicon Valley Intersections datasets. For this purpose, it is analyzed with which clustering approach (K-Means, hierarchical clustering, and DBSCAN) the scenario extraction method performs best (referring to an elaborate rule-based implementation). Subsequently, using hierarchical clustering the results show both a jump in overall accuracy of around 20% when moving from 4 to 5 clusters and a saturation effect starting at 41 clusters with an overall accuracy of 84%. These observations can be a valuable contribution in the context of the trade-off between the number of functional scenarios (i.e., clustering accuracy) and testing effort. Possible reasons for the observed accuracy variations of different clusters, each with a fixed total number of given clusters, are discussed.
Information-Theoretic Analysis of Minimax Excess Risk
Venue: arXiv cs.LG 2023
Year: 2023

Two main concepts studied in machine learning theory are generalization gap (difference between train and test error) and excess risk (difference between test error and the minimum possible error). While information-theoretic tools have been used extensively to study the generalization gap of learning algorithms, the information-theoretic nature of excess risk has not yet been fully investigated. In this paper, some steps are taken toward this goal. We consider the frequentist problem of minimax excess risk as a zero-sum game between the algorithm designer and the world. Then, we argue that it is desirable to modify this game in a way that the order of play can be swapped. We then prove that, under some regularity conditions, if the world and designer can play randomly the duality gap is zero and the order of play can be changed. In this case, a Bayesian problem surfaces in the dual representation. This makes it possible to utilize recent information-theoretic results on minimum excess risk in Bayesian learning to provide bounds on the minimax excess risk. We demonstrate the applicability of the results by providing information theoretic insight on two important classes of problems: classification when the hypothesis space has finite VC-dimension, and regularized least squares.
StratDef: Strategic Defense Against Adversarial Attacks in ML-based Malware Detection
Venue: arXiv cs.LG 2023
Year: 2023

Over the years, most research towards defenses against adversarial attacks on machine learning models has been in the image recognition domain. The ML-based malware detection domain has received less attention despite its importance. Moreover, most work exploring these defenses has focused on several methods but with no strategy when applying them. In this paper, we introduce StratDef, which is a strategic defense system based on a moving target defense approach. We overcome challenges related to the systematic construction, selection, and strategic use of models to maximize adversarial robustness. StratDef dynamically and strategically chooses the best models to increase the uncertainty for the attacker while minimizing critical aspects in the adversarial ML domain, like attack transferability. We provide the first comprehensive evaluation of defenses against adversarial attacks on machine learning for malware detection, where our threat model explores different levels of threat, attacker knowledge, capabilities, and attack intensities. We show that StratDef performs better than other defenses even when facing the peak adversarial threat. We also show that, of the existing defenses, only a few adversarially-trained models provide substantially better protection than just using vanilla models but are still outperformed by StratDef.
Binary Classification for High Dimensional Data using Supervised Non-Parametric Ensemble Method
Venue: arXiv cs.LG 2023
Year: 2023

High dimensional data for classification does create many difficulties for machine learning algorithms. The generalization can be done using ensemble learning methods such as bagging based supervised non-parametric random forest algorithm. In this paper we solve the problem of binary classification for high dimensional data using random forest for polycystic ovary syndrome dataset. We have performed the implementation and provided a detailed visualization of the data for general inference. The training accuracy that we have achieved is 95.6% and validation accuracy over 91.74% respectively.
IPD:An Incremental Prototype based DBSCAN for large-scale data with cluster representatives
Venue: arXiv cs.LG 2023
Year: 2023

DBSCAN is a fundamental density-based clustering technique that identifies any arbitrary shape of the clusters. However, it becomes infeasible while handling big data. On the other hand, centroid-based clustering is important for detecting patterns in a dataset since unprocessed data points can be labeled to their nearest centroid. However, it can not detect non-spherical clusters. For a large data, it is not feasible to store and compute labels of every samples. These can be done as and when the information is required. The purpose can be accomplished when clustering act as a tool to identify cluster representatives and query is served by assigning cluster labels of nearest representative. In this paper, we propose an Incremental Prototype-based DBSCAN (IPD) algorithm which is designed to identify arbitrary-shaped clusters for large-scale data. Additionally, it chooses a set of representatives for each cluster.
SAITS: Self-Attention-based Imputation for Time Series
Venue: arXiv cs.LG 2023
Year: 2023

Missing data in time series is a pervasive problem that puts obstacles in the way of advanced analysis. A popular solution is imputation, where the fundamental challenge is to determine what values should be filled in. This paper proposes SAITS, a novel method based on the self-attention mechanism for missing value imputation in multivariate time series. Trained by a joint-optimization approach, SAITS learns missing values from a weighted combination of two diagonally-masked self-attention (DMSA) blocks. DMSA explicitly captures both the temporal dependencies and feature correlations between time steps, which improves imputation accuracy and training speed. Meanwhile, the weighted-combination design enables SAITS to dynamically assign weights to the learned representations from two DMSA blocks according to the attention map and the missingness information. Extensive experiments quantitatively and qualitatively demonstrate that SAITS outperforms the state-of-the-art methods on the time-series imputation task efficiently and reveal SAITS' potential to improve the learning performance of pattern recognition models on incomplete time-series data from the real world. The code is open source on GitHub at https://github.com/WenjieDu/SAITS.
GRAPHSHAP: Explaining Identity-Aware Graph Classifiers Through the Language of Motifs
Venue: arXiv cs.LG 2023
Year: 2023

Most methods for explaining black-box classifiers (e.g. on tabular data, images, or time series) rely on measuring the impact that removing/perturbing features has on the model output. This forces the explanation language to match the classifier's feature space. However, when dealing with graph data, in which the basic features correspond to the edges describing the graph structure, this matching between features space and explanation language might not be appropriate. Decoupling the feature space (edges) from a desired high-level explanation language (such as motifs) is thus a major challenge towards developing actionable explanations for graph classification tasks. In this paper we introduce GRAPHSHAP, a Shapley-based approach able to provide motif-based explanations for identity-aware graph classifiers, assuming no knowledge whatsoever about the model or its training data: the only requirement is that the classifier can be queried as a black-box at will. For the sake of computational efficiency we explore a progressive approximation strategy and show how a simple kernel can efficiently approximate explanation scores, thus allowing GRAPHSHAP to scale on scenarios with a large explanation space (i.e. large number of motifs). We showcase GRAPHSHAP on a real-world brain-network dataset consisting of patients affected by Autism Spectrum Disorder and a control group. Our experiments highlight how the classification provided by a black-box model can be effectively explained by few connectomics patterns.
Graph Data Augmentation for Graph Machine Learning: A Survey
Venue: arXiv cs.LG 2023
Year: 2023

Data augmentation has recently seen increased interest in graph machine learning given its demonstrated ability to improve model performance and generalization by added training data. Despite this recent surge, the area is still relatively under-explored, due to the challenges brought by complex, non-Euclidean structure of graph data, which limits the direct analogizing of traditional augmentation operations on other types of image, video or text data. Our work aims to give a necessary and timely overview of existing graph data augmentation methods; notably, we present a comprehensive and systematic survey of graph data augmentation approaches, summarizing the literature in a structured manner. We first introduce three different taxonomies for categorizing graph data augmentation methods from the data, task, and learning perspectives, respectively. Next, we introduce recent advances in graph data augmentation, differentiated by their methodologies and applications. We conclude by outlining currently unsolved challenges and directions for future research. Overall, our work aims to clarify the landscape of existing literature in graph data augmentation and motivates additional work in this area, providing a helpful resource for researchers and practitioners in the broader graph machine learning domain. Additionally, we provide a continuously updated reading list at https://github.com/zhao-tong/graph-data-augmentation-papers.
KINet: Unsupervised Forward Models for Robotic Pushing Manipulation
Venue: arXiv cs.CV 2023
Year: 2023

Object-centric representation is an essential abstraction for forward prediction. Most existing forward models learn this representation through extensive supervision (e.g., object class and bounding box) although such ground-truth information is not readily accessible in reality. To address this, we introduce KINet (Keypoint Interaction Network) -- an end-to-end unsupervised framework to reason about object interactions based on a keypoint representation. Using visual observations, our model learns to associate objects with keypoint coordinates and discovers a graph representation of the system as a set of keypoint embeddings and their relations. It then learns an action-conditioned forward model using contrastive estimation to predict future keypoint states. By learning to perform physical reasoning in the keypoint space, our model automatically generalizes to scenarios with a different number of objects, novel backgrounds, and unseen object geometries. Experiments demonstrate the effectiveness of our model in accurately performing forward prediction and learning plannable object-centric representations for downstream robotic pushing manipulation tasks.
Deep Single Image Deraining using An Asymetric Cycle Generative and Adversarial Framework
Venue: arXiv cs.CV 2023
Year: 2023

In reality, rain and fog are often present at the same time, which can greatly reduce the clarity and quality of the scene image. However, most unsupervised single image deraining methods mainly focus on rain streak removal by disregarding the fog, which leads to low-quality deraining performance. In addition, the samples are rather homogeneous generated by these methods and lack diversity, resulting in poor results in the face of complex rain scenes. To address the above issues, we propose a novel Asymetric Cycle Generative and Adversarial framework (ACGF) for single image deraining that trains on both synthetic and real rainy images while simultaneously capturing both rain streaks and fog features. ACGF consists of a Rain-fog2Clean (R2C) transformation block and a Clean2Rain-fog (C2R) transformation block. The former consists of parallel rain removal path and rain-fog feature extraction path by the rain and derain-fog network and the attention rain-fog feature extraction network (ARFE) , while the latter only contains a synthetic rain transformation path. In rain-fog feature extraction path, to better characterize the rain-fog fusion feature, we employ an ARFE to exploit the self-similarity of global and local rain-fog information by learning the spatial feature correlations. Moreover, to improve the translational capacity of C2R and the diversity of models, we design a rain-fog feature decoupling and reorganization network (RFDR) by embedding a rainy image degradation model and a mixed discriminator to preserve richer texture details in synthetic rain conversion path. Extensive experiments on benchmark rain-fog and rain datasets show that ACGF outperforms state-of-the-art deraining methods. We also conduct defogging performance evaluation experiments to further demonstrate the effectiveness of ACGF.
Continual Learning Beyond a Single Model
Venue: arXiv cs.LG 2023
Year: 2023

A growing body of research in continual learning focuses on the catastrophic forgetting problem. While many attempts have been made to alleviate this problem, the majority of the methods assume a single model in the continual learning setup. In this work, we question this assumption and show that employing ensemble models can be a simple yet effective method to improve continual performance. However, ensembles' training and inference costs can increase significantly as the number of models grows. Motivated by this limitation, we study different ensemble models to understand their benefits and drawbacks in continual learning scenarios. Finally, to overcome the high compute cost of ensembles, we leverage recent advances in neural network subspace to propose a computationally cheap algorithm with similar runtime to a single model yet enjoying the performance benefits of ensembles.
BERT WEAVER: Using WEight AVERaging to enable lifelong learning for transformer-based models in biomedical semantic search engines
Venue: arXiv cs.CL 2023
Year: 2023

Recent developments in transfer learning have boosted the advancements in natural language processing tasks. The performance is, however, dependent on high-quality, manually annotated training data. Especially in the biomedical domain, it has been shown that one training corpus is not enough to learn generic models that are able to efficiently predict on new data. Therefore, in order to be used in real world applications state-of-the-art models need the ability of lifelong learning to improve performance as soon as new data are available - without the need of re-training the whole model from scratch. We present WEAVER, a simple, yet efficient post-processing method that infuses old knowledge into the new model, thereby reducing catastrophic forgetting. We show that applying WEAVER in a sequential manner results in similar word embedding distributions as doing a combined training on all data at once, while being computationally more efficient. Because there is no need of data sharing, the presented method is also easily applicable to federated learning settings and can for example be beneficial for the mining of electronic health records from different clinics.
Knowledge-informed Molecular Learning: A Survey on Paradigm Transfer
Venue: arXiv cs.LG 2023
Year: 2023

Machine learning, notably deep learning, has significantly propelled molecular investigations within the biochemical sphere. Traditionally, modeling for such research has centered around a handful of paradigms. For instance, the prediction paradigm is frequently deployed for tasks such as molecular property prediction. To enhance the generation and decipherability of purely data-driven models, scholars have integrated biochemical domain knowledge into these molecular study models. This integration has sparked a surge in paradigm transfer, which is solving one molecular learning task by reformulating it as another one. With the emergence of Large Language Models, these paradigms have demonstrated an escalating trend towards harmonized unification. In this work, we delineate a literature survey focused on knowledge-informed molecular learning from the perspective of paradigm transfer. We classify the paradigms, scrutinize their methodologies, and dissect the contribution of domain knowledge. Moreover, we encapsulate prevailing trends and identify intriguing avenues for future exploration in molecular learning.