OpenRaiser/Intern-Atlas huggingface dataset:
Analysis of a Target-Based Actor-Critic Algorithm with Linear Function Approximation
Venue: arXiv cs.LG 2022
Year: 2022

Actor-critic methods integrating target networks have exhibited a stupendous empirical success in deep reinforcement learning. However, a theoretical understanding of the use of target networks in actor-critic methods is largely missing in the literature. In this paper, we reduce this gap between theory and practice by proposing the first theoretical analysis of an online target-based actor-critic algorithm with linear function approximation in the discounted reward setting. Our algorithm uses three different timescales: one for the actor and two for the critic. Instead of using the standard single timescale temporal difference (TD) learning algorithm as a critic, we use a two timescales target-based version of TD learning closely inspired from practical actor-critic algorithms implementing target networks. First, we establish asymptotic convergence results for both the critic and the actor under Markovian sampling. Then, we provide a finite-time analysis showing the impact of incorporating a target network into actor-critic methods.
How does Heterophily Impact the Robustness of Graph Neural Networks? Theoretical Connections and Practical Implications
Venue: arXiv cs.LG 2022
Year: 2022

We bridge two research directions on graph neural networks (GNNs), by formalizing the relation between heterophily of node labels (i.e., connected nodes tend to have dissimilar labels) and the robustness of GNNs to adversarial attacks. Our theoretical and empirical analyses show that for homophilous graph data, impactful structural attacks always lead to reduced homophily, while for heterophilous graph data the change in the homophily level depends on the node degrees. These insights have practical implications for defending against attacks on real-world graphs: we deduce that separate aggregators for ego- and neighbor-embeddings, a design principle which has been identified to significantly improve prediction for heterophilous graph data, can also offer increased robustness to GNNs. Our comprehensive experiments show that GNNs merely adopting this design achieve improved empirical and certifiable robustness compared to the best-performing unvaccinated model. Additionally, combining this design with explicit defense mechanisms against adversarial attacks leads to an improved robustness with up to 18.33% performance increase under attacks compared to the best-performing vaccinated model.
Probabilistic Margins for Instance Reweighting in Adversarial Training
Venue: arXiv cs.LG 2022
Year: 2022

Reweighting adversarial data during training has been recently shown to improve adversarial robustness, where data closer to the current decision boundaries are regarded as more critical and given larger weights. However, existing methods measuring the closeness are not very reliable: they are discrete and can take only a few values, and they are path-dependent, i.e., they may change given the same start and end points with different attack paths. In this paper, we propose three types of probabilistic margin (PM), which are continuous and path-independent, for measuring the aforementioned closeness and reweighting adversarial data. Specifically, a PM is defined as the difference between two estimated class-posterior probabilities, e.g., such the probability of the true label minus the probability of the most confusing label given some natural data. Though different PMs capture different geometric properties, all three PMs share a negative correlation with the vulnerability of data: data with larger/smaller PMs are safer/riskier and should have smaller/larger weights. Experiments demonstrate that PMs are reliable measurements and PM-based reweighting methods outperform state-of-the-art methods.
An Automated Quality Evaluation Framework of Psychotherapy Conversations with Local Quality Estimates
Venue: arXiv cs.CL 2022
Year: 2022

Text-based computational approaches for assessing the quality of psychotherapy are being developed to support quality assurance and clinical training. However, due to the long durations of typical conversation based therapy sessions, and due to limited annotated modeling resources, computational methods largely rely on frequency-based lexical features or dialogue acts to assess the overall session level characteristics. In this work, we propose a hierarchical framework to automatically evaluate the quality of transcribed Cognitive Behavioral Therapy (CBT) interactions. Given the richly dynamic nature of the spoken dialog within a talk therapy session, to evaluate the overall session level quality, we propose to consider modeling it as a function of local variations across the interaction. To implement that empirically, we divide each psychotherapy session into conversation segments and initialize the segment-level qualities with the session-level scores. First, we produce segment embeddings by fine-tuning a BERT-based model, and predict segment-level (local) quality scores. These embeddings are used as the lower-level input to a Bidirectional LSTM-based neural network to predict the session-level (global) quality estimates. In particular, we model the global quality as a linear function of the local quality scores, which allows us to update the segment-level quality estimates based on the session-level quality prediction. These newly estimated segment-level scores benefit the BERT fine-tuning process, which in turn results in better segment embeddings. We evaluate the proposed framework on automatically derived transcriptions from real-world CBT clinical recordings to predict session-level behavior codes. The results indicate that our approach leads to improved evaluation accuracy for most codes when used for both regression and classification tasks.
CausalNLP: A Practical Toolkit for Causal Inference with Text
Venue: arXiv cs.CL 2022
Year: 2022

Causal inference is the process of estimating the effect or impact of a treatment on an outcome with other covariates as potential confounders (and mediators) that may need to be controlled. The vast majority of existing methods and systems for causal inference assume that all variables under consideration are categorical or numerical (e.g., gender, price, enrollment). In this paper, we present CausalNLP, a toolkit for inferring causality with observational data that includes text in addition to traditional numerical and categorical variables. CausalNLP employs the use of meta learners for treatment effect estimation and supports using raw text and its linguistic properties as a treatment, an outcome, or a "controlled-for" variable (e.g., confounder). The library is open source and available at: https://github.com/amaiya/causalnlp.
Physion: Evaluating Physical Prediction from Vision in Humans and Machines
Venue: arXiv cs.AI 2022
Year: 2022

While current vision algorithms excel at many challenging tasks, it is unclear how well they understand the physical dynamics of real-world environments. Here we introduce Physion, a dataset and benchmark for rigorously evaluating the ability to predict how physical scenarios will evolve over time. Our dataset features realistic simulations of a wide range of physical phenomena, including rigid and soft-body collisions, stable multi-object configurations, rolling, sliding, and projectile motion, thus providing a more comprehensive challenge than previous benchmarks. We used Physion to benchmark a suite of models varying in their architecture, learning objective, input-output structure, and training data. In parallel, we obtained precise measurements of human prediction behavior on the same set of scenarios, allowing us to directly evaluate how well any model could approximate human behavior. We found that vision algorithms that learn object-centric representations generally outperform those that do not, yet still fall far short of human performance. On the other hand, graph neural networks with direct access to physical state information both perform substantially better and make predictions that are more similar to those made by humans. These results suggest that extracting physical representations of scenes is the main bottleneck to achieving human-level and human-like physical understanding in vision algorithms. We have publicly released all data and code to facilitate the use of Physion to benchmark additional models in a fully reproducible manner, enabling systematic evaluation of progress towards vision algorithms that understand physical environments as robustly as people do.
How to Train Your Wide Neural Network Without Backprop: An Input-Weight Alignment Perspective
Venue: arXiv cs.LG 2022
Year: 2022

Recent works have examined theoretical and empirical properties of wide neural networks trained in the Neural Tangent Kernel (NTK) regime. Given that biological neural networks are much wider than their artificial counterparts, we consider NTK regime wide neural networks as a possible model of biological neural networks. Leveraging NTK theory, we show theoretically that gradient descent drives layerwise weight updates that are aligned with their input activity correlations weighted by error, and demonstrate empirically that the result also holds in finite-width wide networks. The alignment result allows us to formulate a family of biologically-motivated, backpropagation-free learning rules that are theoretically equivalent to backpropagation in infinite-width networks. We test these learning rules on benchmark problems in feedforward and recurrent neural networks and demonstrate, in wide networks, comparable performance to backpropagation. The proposed rules are particularly effective in low data regimes, which are common in biological learning settings.
Ada-BKB: Scalable Gaussian Process Optimization on Continuous Domains by Adaptive Discretization
Venue: arXiv cs.LG 2022
Year: 2022

Gaussian process optimization is a successful class of algorithms(e.g. GP-UCB) to optimize a black-box function through sequential evaluations. However, for functions with continuous domains, Gaussian process optimization has to rely on either a fixed discretization of the space, or the solution of a non-convex optimization subproblem at each evaluation. The first approach can negatively affect performance, while the second approach requires a heavy computational burden. A third option, only recently theoretically studied, is to adaptively discretize the function domain. Even though this approach avoids the extra non-convex optimization costs, the overall computational complexity is still prohibitive. An algorithm such as GP-UCB has a runtime of $O(T^4)$, where $T$ is the number of iterations. In this paper, we introduce Ada-BKB (Adaptive Budgeted Kernelized Bandit), a no-regret Gaussian process optimization algorithm for functions on continuous domains, that provably runs in $O(T^2 d_\text{eff}^2)$, where $d_\text{eff}$ is the effective dimension of the explored space, and which is typically much smaller than $T$. We corroborate our theoretical findings with experiments on synthetic non-convex functions and on the real-world problem of hyper-parameter optimization, confirming the good practical performances of the proposed approach.
Self-Supervised GANs with Label Augmentation
Venue: arXiv cs.LG 2022
Year: 2022

Recently, transformation-based self-supervised learning has been applied to generative adversarial networks (GANs) to mitigate catastrophic forgetting in the discriminator by introducing a stationary learning environment. However, the separate self-supervised tasks in existing self-supervised GANs cause a goal inconsistent with generative modeling due to the fact that their self-supervised classifiers are agnostic to the generator distribution. To address this problem, we propose a novel self-supervised GAN that unifies the GAN task with the self-supervised task by augmenting the GAN labels (real or fake) via self-supervision of data transformation. Specifically, the original discriminator and self-supervised classifier are unified into a label-augmented discriminator that predicts the augmented labels to be aware of both the generator distribution and the data distribution under every transformation, and then provide the discrepancy between them to optimize the generator. Theoretically, we prove that the optimal generator could converge to replicate the real data distribution. Empirically, we show that the proposed method significantly outperforms previous self-supervised and data augmentation GANs on both generative modeling and representation learning across benchmark datasets.
Memorization and Generalization in Neural Code Intelligence Models
Venue: arXiv cs.LG 2022
Year: 2022

Deep Neural Networks (DNNs) are increasingly being used in software engineering and code intelligence tasks. These are powerful tools that are capable of learning highly generalizable patterns from large datasets through millions of parameters. At the same time, their large capacity can render them prone to memorizing data points. Recent work suggests that the memorization risk manifests especially strongly when the training dataset is noisy, involving many ambiguous or questionable samples, and memorization is the only recourse. The goal of this paper is to evaluate and compare the extent of memorization and generalization in neural code intelligence models. It aims to provide insights on how memorization may impact the learning behavior of neural models in code intelligence systems. To observe the extent of memorization in models, we add random noise to the original training dataset and use various metrics to quantify the impact of noise on various aspects of training and testing. We evaluate several state-of-the-art neural code intelligence models and benchmarks based on Java, Python, and Ruby codebases. Our results highlight important risks: millions of trainable parameters allow the neural networks to memorize anything, including noisy data, and provide a false sense of generalization. We observed all models manifest some forms of memorization. This can be potentially troublesome in most code intelligence tasks where they rely on rather noise-prone and repetitive data sources, such as code from GitHub. To the best of our knowledge, we provide the first study to quantify memorization effects in the domain of software engineering and code intelligence systems. This work raises awareness and provides new insights into important issues of training neural models in code intelligence systems that are usually overlooked by software engineering researchers.
Personalized News Recommendation: Methods and Challenges
Venue: arXiv cs.IR 2022
Year: 2022

Personalized news recommendation is an important technique to help users find their interested news information and alleviate their information overload. It has been extensively studied over decades and has achieved notable success in improving users' news reading experience. However, there are still many unsolved problems and challenges that need to be further studied. To help researchers master the advances in personalized news recommendation over the past years, in this paper we present a comprehensive overview of personalized news recommendation. Instead of following the conventional taxonomy of news recommendation methods, in this paper we propose a novel perspective to understand personalized news recommendation based on its core problems and the associated techniques and challenges. We first review the techniques for tackling each core problem in a personalized news recommender system and the challenges they face. Next, we introduce the public datasets and evaluation methods for personalized news recommendation. We then discuss the key points on improving the responsibility of personalized news recommender systems. Finally, we raise several research directions that are worth investigating in the future. This paper can provide up-to-date and comprehensive views to help readers understand the personalized news recommendation field. We hope this paper can facilitate research on personalized news recommendation as well as related fields in natural language processing and data mining.
Probing GNN Explainers: A Rigorous Theoretical and Empirical Analysis of GNN Explanation Methods
Venue: arXiv cs.LG 2022
Year: 2022

As Graph Neural Networks (GNNs) are increasingly being employed in critical real-world applications, several methods have been proposed in recent literature to explain the predictions of these models. However, there has been little to no work on systematically analyzing the reliability of these methods. Here, we introduce the first-ever theoretical analysis of the reliability of state-of-the-art GNN explanation methods. More specifically, we theoretically analyze the behavior of various state-of-the-art GNN explanation methods with respect to several desirable properties (e.g., faithfulness, stability, and fairness preservation) and establish upper bounds on the violation of these properties. We also empirically validate our theoretical results using extensive experimentation with nine real-world graph datasets. Our empirical results further shed light on several interesting insights about the behavior of state-of-the-art GNN explanation methods.
QuantumFed: A Federated Learning Framework for Collaborative Quantum Training
Venue: arXiv cs.LG 2022
Year: 2022

With the fast development of quantum computing and deep learning, quantum neural networks have attracted great attention recently. By leveraging the power of quantum computing, deep neural networks can potentially overcome computational power limitations in classic machine learning. However, when multiple quantum machines wish to train a global model using the local data on each machine, it may be very difficult to copy the data into one machine and train the model. Therefore, a collaborative quantum neural network framework is necessary. In this article, we borrow the core idea of federated learning to propose QuantumFed, a quantum federated learning framework to have multiple quantum nodes with local quantum data train a mode together. Our experiments show the feasibility and robustness of our framework.
An Evaluation of Self-Supervised Pre-Training for Skin-Lesion Analysis
Venue: arXiv cs.CV 2022
Year: 2022

Self-supervised pre-training appears as an advantageous alternative to supervised pre-trained for transfer learning. By synthesizing annotations on pretext tasks, self-supervision allows to pre-train models on large amounts of pseudo-labels before fine-tuning them on the target task. In this work, we assess self-supervision for the diagnosis of skin lesions, comparing three self-supervised pipelines to a challenging supervised baseline, on five test datasets comprising in- and out-of-distribution samples. Our results show that self-supervision is competitive both in improving accuracies and in reducing the variability of outcomes. Self-supervision proves particularly useful for low training data scenarios ($<1\,500$ and $<150$ samples), where its ability to stabilize the outcomes is essential to provide sound results.
Density of Free Modules over Finite Chain Rings
Venue: arXiv cs.IT 2022
Year: 2022

In this paper we focus on modules over a finite chain ring $\mathcal{R}$ of size $q^s$. We compute the density of free modules of $\mathcal{R}^n$, where we separately treat the asymptotics in $n,q$ and $s$. In particular, we focus on two cases: one where we fix the length of the module and one where we fix the rank of the module. In both cases, the density results can be bounded by the Andrews-Gordon identities. We also study the asymptotic behaviour of modules generated by random matrices over $\mathcal{R}$. Since linear codes over $\mathcal{R}$ are submodules of $\mathcal{R}^n$ we get direct implications for coding theory. For example, we show that random codes achieve the Gilbert-Varshamov bound with high probability.
Future urban mobility as a bio-inspired collaborative system of multi-functional autonomous vehicles
Venue: arXiv cs.MA 2022
Year: 2022

The fast urbanization and climate change challenges require solutions that enable the efficient movement of people and goods in cities. We envision future cities to be composed of high-performing walkable districts where transportation needs could be served by fleets of ultra-lightweight shared and autonomous vehicles. A future in which most vehicles would be autonomous creates a new paradigm for the possible interactions between vehicles. Natural swarms are a great example of how rich interactions can be; they can divide tasks, cluster, build together, or transport cooperatively. The field of swarm robotics has translated some of the behaviors from natural swarms to artificial systems, proving to make systems more flexible, scalable, and robust. Inspired by nature and supported by swarm robotics, this paper proposes a future mobility in which shared, electric, and autonomous vehicles would be multi-functional and behave as a collaborative system. In this future, fleets of multi-functional vehicles would complete different tasks collaboratively, giving a response to the different urban mobility needs. This paper contributes with the proposal of a framework for future urban mobility that integrates current research and mobility trends in a novel and unique way.
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties
Venue: arXiv cs.LG 2022
Year: 2022

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance, but the vast chemical space and the limited availability of property labels make supervised learning challenging. Recently, unsupervised transformer-based language models pretrained on a large unlabelled corpus have produced state-of-the-art results in many downstream natural language processing tasks. Inspired by this development, we present molecular embeddings obtained by training an efficient transformer encoder model, MoLFormer, which uses rotary positional embeddings. This model employs a linear attention mechanism, coupled with highly distributed training, on SMILES sequences of 1.1 billion unlabelled molecules from the PubChem and ZINC datasets. We show that the learned molecular representation outperforms existing baselines, including supervised and self-supervised graph neural networks and language models, on several downstream tasks from ten benchmark datasets. They perform competitively on two others. Further analyses, specifically through the lens of attention, demonstrate that MoLFormer trained on chemical SMILES indeed learns the spatial relationships between atoms within a molecule. These results provide encouraging evidence that large-scale molecular language models can capture sufficient chemical and structural information to predict various distinct molecular properties, including quantum-chemical properties.
The 2021 Image Similarity Dataset and Challenge
Venue: arXiv cs.CV 2022
Year: 2022

This paper introduces a new benchmark for large-scale image similarity detection. This benchmark is used for the Image Similarity Challenge at NeurIPS'21 (ISC2021). The goal is to determine whether a query image is a modified copy of any image in a reference corpus of size 1~million. The benchmark features a variety of image transformations such as automated transformations, hand-crafted image edits and machine-learning based manipulations. This mimics real-life cases appearing in social media, for example for integrity-related problems dealing with misinformation and objectionable content. The strength of the image manipulations, and therefore the difficulty of the benchmark, is calibrated according to the performance of a set of baseline approaches. Both the query and reference set contain a majority of "distractor" images that do not match, which corresponds to a real-life needle-in-haystack setting, and the evaluation metric reflects that. We expect the DISC21 benchmark to promote image copy detection as an important and challenging computer vision task and refresh the state of the art. Code and data are available at https://github.com/facebookresearch/isc2021