Reviewerly/exHarmony huggingface dataset:
Analysing the Requirements for an Open Research Knowledge Graph: Use Cases, Quality Requirements and Construction Strategies

Current science communication has a number of drawbacks and bottlenecks which have been subject of discussion lately: Among others, the rising number of published articles makes it nearly impossible to get a full overview of the state of the art in a certain field, or reproducibility is hampered by fixed-length, document-based publications which normally cannot cover all details of a research work. Recently, several initiatives have proposed knowledge graphs (KG) for organising scientific information as a solution to many of the current issues. The focus of these proposals is, however, usually restricted to very specific use cases. In this paper, we aim to transcend this limited perspective and present a comprehensive analysis of requirements for an Open Research Knowledge Graph (ORKG) by (a) collecting and reviewing daily core tasks of a scientist, (b) establishing their consequential requirements for a KG-based system, (c) identifying overlaps and specificities, and their coverage in current solutions. As a result, we map necessary and desirable requirements for successful KG-based science communication, derive implications, and outline possible solutions.
Large Scale Distributed Collaborative Unlabeled Motion Planning with Graph Policy Gradients

In this paper, we present a learning method to solve the unlabelled motion problem with motion constraints and space constraints in 2D space for a large number of robots. To solve the problem of arbitrary dynamics and constraints we propose formulating the problem as a multi-agent problem. We are able to demonstrate the scalability of our methods for a large number of robots by employing a graph neural network (GNN) to parameterize policies for the robots. The GNN reduces the dimensionality of the problem by learning filters that aggregate information among robots locally, similar to how a convolutional neural network is able to learn local features in an image. Additionally, by employing a GNN we are also able to overcome the computational overhead of training policies for a large number of robots by first training graph filters for a small number of robots followed by zero-shot policy transfer to a larger number of robots. We demonstrate the effectiveness of our framework through various simulations.
Systematic Generalization in Neural Networks-based Multivariate Time Series Forecasting Models

Systematic generalization aims to evaluate reasoning about novel combinations from known components, an intrinsic property of human cognition. In this work, we study systematic generalization of NNs in forecasting future time series of dependent variables in a dynamical system, conditioned on past time series of dependent variables, and past and future control variables. We focus on systematic generalization wherein the NN-based forecasting model should perform well on previously unseen combinations or regimes of control variables after being trained on a limited set of the possible regimes. For NNs to depict such out-of-distribution generalization, they should be able to disentangle the various dependencies between control variables and dependent variables. We hypothesize that a modular NN architecture guided by the readily-available knowledge of independence of control variables as a potentially useful inductive bias to this end. Through extensive empirical evaluation on a toy dataset and a simulated electric motor dataset, we show that our proposed modular NN architecture serves as a simple yet highly effective inductive bias that enabling better forecasting of the dependent variables up to large horizons in contrast to standard NNs, and indeed capture the true dependency relations between the dependent and the control variables.
Learning under Distribution Mismatch and Model Misspecification

We study learning algorithms when there is a mismatch between the distributions of the training and test datasets of a learning algorithm. The effect of this mismatch on the generalization error and model misspecification are quantified. Moreover, we provide a connection between the generalization error and the rate-distortion theory, which allows one to utilize bounds from the rate-distortion theory to derive new bounds on the generalization error and vice versa. In particular, the rate-distortion based bound strictly improves over the earlier bound by Xu and Raginsky even when there is no mismatch. We also discuss how "auxiliary loss functions" can be utilized to obtain upper bounds on the generalization error.
Personalization for Web-based Services using Offline Reinforcement Learning

Large-scale Web-based services present opportunities for improving UI policies based on observed user interactions. We address challenges of learning such policies through model-free offline Reinforcement Learning (RL) with off-policy training. Deployed in a production system for user authentication in a major social network, it significantly improves long-term objectives. We articulate practical challenges, compare several ML techniques, provide insights on training and evaluation of RL models, and discuss generalizations.
Language Models for Lexical Inference in Context

Lexical inference in context (LIiC) is the task of recognizing textual entailment between two very similar sentences, i.e., sentences that only differ in one expression. It can therefore be seen as a variant of the natural language inference task that is focused on lexical semantics. We formulate and evaluate the first approaches based on pretrained language models (LMs) for this task: (i) a few-shot NLI classifier, (ii) a relation induction approach based on handcrafted patterns expressing the semantics of lexical inference, and (iii) a variant of (ii) with patterns that were automatically extracted from a corpus. All our approaches outperform the previous state of the art, showing the potential of pretrained LMs for LIiC. In an extensive analysis, we investigate factors of success and failure of our three approaches.
Generative Models as Distributions of Functions

Generative models are typically trained on grid-like data such as images. As a result, the size of these models usually scales directly with the underlying grid resolution. In this paper, we abandon discretized grids and instead parameterize individual data points by continuous functions. We then build generative models by learning distributions over such functions. By treating data points as functions, we can abstract away from the specific type of data we train on and construct models that are agnostic to discretization. To train our model, we use an adversarial approach with a discriminator that acts on continuous signals. Through experiments on a wide variety of data modalities including images, 3D shapes and climate data, we demonstrate that our model can learn rich distributions of functions independently of data type and resolution.
Extracting Rationale for Open Source Software Development Decisions -- A Study of Python Email Archives

A sound Decision-Making (DM) process is key to the successful governance of software projects. In many Open Source Software Development (OSSD) communities, DM processes lie buried amongst vast amounts of publicly available data. Hidden within this data lie the rationale for decisions that led to the evolution and maintenance of software products. While there have been some efforts to extract DM processes from publicly available data, the rationale behind how the decisions are made have seldom been explored. Extracting the rationale for these decisions can facilitate transparency (by making them known), and also promote accountability on the part of decision-makers. This work bridges this gap by means of a large-scale study that unearths the rationale behind decisions from Python development email archives comprising about 1.5 million emails. This paper makes two main contributions. First, it makes a knowledge contribution by unearthing and presenting the rationale behind decisions made. Second, it makes a methodological contribution by presenting a heuristics-based rationale extraction system called Rationale Miner that employs multiple heuristics, and follows a data-driven, bottom-up approach to infer the rationale behind specific decisions (e.g., whether a new module is implemented based on core developer consensus or benevolent dictator's pronouncement). Our approach can be applied to extract rationale in other OSSD communities that have similar governance structures.
Automatic variational inference with cascading flows

The automation of probabilistic reasoning is one of the primary aims of machine learning. Recently, the confluence of variational inference and deep learning has led to powerful and flexible automatic inference methods that can be trained by stochastic gradient descent. In particular, normalizing flows are highly parameterized deep models that can fit arbitrarily complex posterior densities. However, normalizing flows struggle in highly structured probabilistic programs as they need to relearn the forward-pass of the program. Automatic structured variational inference (ASVI) remedies this problem by constructing variational programs that embed the forward-pass. Here, we combine the flexibility of normalizing flows and the prior-embedding property of ASVI in a new family of variational programs, which we named cascading flows. A cascading flows program interposes a newly designed highway flow architecture in between the conditional distributions of the prior program such as to steer it toward the observed data. These programs can be constructed automatically from an input probabilistic program and can also be amortized automatically. We evaluate the performance of the new variational programs in a series of structured inference problems. We find that cascading flows have much higher performance than both normalizing flows and ASVI in a large set of structured inference problems.
Bootstrapping Relation Extractors using Syntactic Search by Examples

The advent of neural-networks in NLP brought with it substantial improvements in supervised relation extraction. However, obtaining a sufficient quantity of training data remains a key challenge. In this work we propose a process for bootstrapping training datasets which can be performed quickly by non-NLP-experts. We take advantage of search engines over syntactic-graphs (Such as Shlain et al. (2020)) which expose a friendly by-example syntax. We use these to obtain positive examples by searching for sentences that are syntactically similar to user input examples. We apply this technique to relations from TACRED and DocRED and show that the resulting models are competitive with models trained on manually annotated data and on data obtained from distant supervision. The models also outperform models trained using NLG data augmentation techniques. Extending the search-based approach with the NLG method further improves the results.
Clustered Hierarchical Anomaly and Outlier Detection Algorithms

Anomaly and outlier detection is a long-standing problem in machine learning. In some cases, anomaly detection is easy, such as when data are drawn from well-characterized distributions such as the Gaussian. However, when data occupy high-dimensional spaces, anomaly detection becomes more difficult. We present CLAM (Clustered Learning of Approximate Manifolds), a manifold mapping technique in any metric space. CLAM begins with a fast hierarchical clustering technique and then induces a graph from the cluster tree, based on overlapping clusters as selected using several geometric and topological features. Using these graphs, we implement CHAODA (Clustered Hierarchical Anomaly and Outlier Detection Algorithms), exploring various properties of the graphs and their constituent clusters to find outliers. CHAODA employs a form of transfer learning based on a training set of datasets, and applies this knowledge to a separate test set of datasets of different cardinalities, dimensionalities, and domains. On 24 publicly available datasets, we compare CHAODA (by measure of ROC AUC) to a variety of state-of-the-art unsupervised anomaly-detection algorithms. Six of the datasets are used for training. CHAODA outperforms other approaches on 16 of the remaining 18 datasets. CLAM and CHAODA scale to large, high-dimensional "big data" anomaly-detection problems, and generalize across datasets and distance functions. Source code to CLAM and CHAODA are freely available on GitHub at https://github.com/URI-ABD/clam.
Using Structural and Semantic Information to Identify Software Components

Component Based Software Engineering (CBSE) seeks to promote the reuse of software by using existing software modules into the development process. However, the availability of such a reusable component is not immediate and is costly and time consuming. As an alternative, the extraction from pre-existing OO software can be considered. In this work, we evaluate two community detection algorithms for the task of software components identification. Considering `components' as `communities', the aim is to evaluate how independent, yet cohesive, the components are when extracted by structurally informed algorithms. We analyze 412 Java systems and evaluate the cohesion of the extracted communities using four document representation techniques. The evaluation aims to find which algorithm extracts the most semantically cohesive, yet separated communities. The results show a good performance in both algorithms, however, each has its own strengths. Leiden extracts less cohesive, but better separated, and better clustered components that depend more on similar ones. Infomap, on the other side, creates more cohesive, slightly overlapping clusters that are less likely to depend on other semantically similar components.
Refactoring Practices in the Context of Modern Code Review: An Industrial Case Study at Xerox

Modern code review is a common and essential practice employed in both industrial and open-source projects to improve software quality, share knowledge, and ensure conformance with coding standards. During code review, developers may inspect and discuss various changes including refactoring activities before merging code changes in the codebase. To date, code review has been extensively studied to explore its general challenges, best practices and outcomes, and socio-technical aspects. However, little is known about how refactoring activities are being reviewed, perceived, and practiced. This study aims to reveal insights into how reviewers develop a decision about accepting or rejecting a submitted refactoring request, and what makes such review challenging. We present an industrial case study with 24 professional developers at Xerox. Particularly, we study the motivations, documentation practices, challenges, verification, and implications of refactoring activities during code review. Our study delivers several important findings. Our results report the lack of a proper procedure to follow by developers when documenting their refactorings for review. Our survey with reviewers has also revealed several difficulties related to understanding the refactoring intent and implications on the functional and non-functional aspects of the software. In light of our findings, we recommended a procedure to properly document refactoring activities, as part of our survey feedback.
Exploiting epistemic uncertainty of the deep learning models to generate adversarial samples

Deep neural network architectures are considered to be robust to random perturbations. Nevertheless, it was shown that they could be severely vulnerable to slight but carefully crafted perturbations of the input, termed as adversarial samples. In recent years, numerous studies have been conducted in this new area called "Adversarial Machine Learning" to devise new adversarial attacks and to defend against these attacks with more robust DNN architectures. However, almost all the research work so far has been concentrated on utilising model loss function to craft adversarial examples or create robust models. This study explores the usage of quantified epistemic uncertainty obtained from Monte-Carlo Dropout Sampling for adversarial attack purposes by which we perturb the input to the areas where the model has not seen before. We proposed new attack ideas based on the epistemic uncertainty of the model. Our results show that our proposed hybrid attack approach increases the attack success rates from 82.59% to 85.40%, 82.86% to 89.92% and 88.06% to 90.03% on MNIST Digit, MNIST Fashion and CIFAR-10 datasets, respectively.
Partition-based formulations for mixed-integer optimization of trained ReLU neural networks

This paper introduces a class of mixed-integer formulations for trained ReLU neural networks. The approach balances model size and tightness by partitioning node inputs into a number of groups and forming the convex hull over the partitions via disjunctive programming. At one extreme, one partition per input recovers the convex hull of a node, i.e., the tightest possible formulation for each node. For fewer partitions, we develop smaller relaxations that approximate the convex hull, and show that they outperform existing formulations. Specifically, we propose strategies for partitioning variables based on theoretical motivations and validate these strategies using extensive computational experiments. Furthermore, the proposed scheme complements known algorithmic approaches, e.g., optimization-based bound tightening captures dependencies within a partition.
Evolving Neuronal Plasticity Rules using Cartesian Genetic Programming

We formulate the search for phenomenological models of synaptic plasticity as an optimization problem. We employ Cartesian genetic programming to evolve biologically plausible human-interpretable plasticity rules that allow a given network to successfully solve tasks from specific task families. While our evolving-to-learn approach can be applied to various learning paradigms, here we illustrate its power by evolving plasticity rules that allow a network to efficiently determine the first principal component of its input distribution. We demonstrate that the evolved rules perform competitively with known hand-designed solutions. We explore how the statistical properties of the datasets used during the evolutionary search influences the form of the plasticity rules and discover new rules which are adapted to the structure of the corresponding datasets.
Asynchronous Parallel Nonconvex Optimization Under the Polyak-Lojasiewicz Condition

Communication delays and synchronization are major bottlenecks for parallel computing, and tolerating asynchrony is therefore crucial for accelerating parallel computation. Motivated by optimization problems that do not satisfy convexity assumptions, we present an asynchronous block coordinate descent algorithm for nonconvex optimization problems whose objective functions satisfy the Polyak-Lojasiewicz condition. This condition is a generalization of strong convexity to nonconvex problems and requires neither convexity nor uniqueness of minimizers. Under only assumptions of mild smoothness of objective functions and bounded delays, we prove that a linear convergence rate is obtained. Numerical experiments for logistic regression problems are presented to illustrate the impact of asynchrony upon convergence.
Improving memory banks for unsupervised learning with large mini-batch, consistency and hard negative mining

An important component of unsupervised learning by instance-based discrimination is a memory bank for storing a feature representation for each training sample in the dataset. In this paper, we introduce 3 improvements to the vanilla memory bank-based formulation which brings massive accuracy gains: (a) Large mini-batch: we pull multiple augmentations for each sample within the same batch and show that this leads to better models and enhanced memory bank updates. (b) Consistency: we enforce the logits obtained by different augmentations of the same sample to be close without trying to enforce discrimination with respect to negative samples as proposed by previous approaches. (c) Hard negative mining: since instance discrimination is not meaningful for samples that are too visually similar, we devise a novel nearest neighbour approach for improving the memory bank that gradually merges extremely similar data samples that were previously forced to be apart by the instance level classification loss. Overall, our approach greatly improves the vanilla memory-bank based instance discrimination and outperforms all existing methods for both seen and unseen testing categories with cosine similarity.
Mutual Information of Neural Network Initialisations: Mean Field Approximations

The ability to train randomly initialised deep neural networks is known to depend strongly on the variance of the weight matrices and biases as well as the choice of nonlinear activation. Here we complement the existing geometric analysis of this phenomenon with an information theoretic alternative. Lower bounds are derived for the mutual information between an input and hidden layer outputs. Using a mean field analysis we are able to provide analytic lower bounds as functions of network weight and bias variances as well as the choice of nonlinear activation. These results show that initialisations known to be optimal from a training point of view are also superior from a mutual information perspective.
Domain Adversarial Neural Networks for Domain Generalization: When It Works and How to Improve

Theoretically, domain adaptation is a well-researched problem. Further, this theory has been well-used in practice. In particular, we note the bound on target error given by Ben-David et al. (2010) and the well-known domain-aligning algorithm based on this work using Domain Adversarial Neural Networks (DANN) presented by Ganin and Lempitsky (2015). Recently, multiple variants of DANN have been proposed for the related problem of domain generalization, but without much discussion of the original motivating bound. In this paper, we investigate the validity of DANN in domain generalization from this perspective. We investigate conditions under which application of DANN makes sense and further consider DANN as a dynamic process during training. Our investigation suggests that the application of DANN to domain generalization may not be as straightforward as it seems. To address this, we design an algorithmic extension to DANN in the domain generalization case. Our experimentation validates both theory and algorithm.
Generalization of Model-Agnostic Meta-Learning Algorithms: Recurring and Unseen Tasks

In this paper, we study the generalization properties of Model-Agnostic Meta-Learning (MAML) algorithms for supervised learning problems. We focus on the setting in which we train the MAML model over $m$ tasks, each with $n$ data points, and characterize its generalization error from two points of view: First, we assume the new task at test time is one of the training tasks, and we show that, for strongly convex objective functions, the expected excess population loss is bounded by ${\mathcal{O}}(1/mn)$. Second, we consider the MAML algorithm's generalization to an unseen task and show that the resulting generalization error depends on the total variation distance between the underlying distributions of the new task and the tasks observed during the training process. Our proof techniques rely on the connections between algorithmic stability and generalization bounds of algorithms. In particular, we propose a new definition of stability for meta-learning algorithms, which allows us to capture the role of both the number of tasks $m$ and number of samples per task $n$ on the generalization error of MAML.