Research connected to &quot;machine learning&quot;

Uncertainty-sensitive Learning and Planning with Ensembles

We propose a reinforcement learning framework for discrete environments in which an agent makes both strategic and tactical decisions. The former manifests itself through the use of value function, while the latter is powered by a tree search planner. These tools complement each other. The planning module performs a local \textit{what-if} analysis, which allows to avoid tactical pitfalls and boost backups of the value function. The value function, being global in nature, compensates for inherent locality of the planner. In order to further solidify this synergy, we introduce an exploration mechanism with two distinctive components: uncertainty modelling and risk measurement. To model the uncertainty we use value function ensembles, and to reflect risk we use propose several functionals that summarize the implied by the ensemble. We show that our method performs well on hard exploration environments: Deep-sea, toy Montezuma's Revenge, and Sokoban. In all the cases, we obtain speed-up in learning and boost in performance.

preprint2024arXiv

Policy-regularized Offline Multi-objective Reinforcement Learning

In this paper, we aim to utilize only offline trajectory data to train a policy for multi-objective RL. We extend the offline policy-regularized method, a widely-adopted approach for single-objective offline RL problems, into the multi-objective setting in order to achieve the above goal. However, such methods face a new challenge in offline MORL settings, namely the preference-inconsistent demonstration problem. We propose two solutions to this problem: 1) filtering out preference-inconsistent demonstrations via approximating behavior preferences, and 2) adopting regularization techniques with high policy expressiveness. Moreover, we integrate the preference-conditioned scalarized update method into policy-regularized offline RL, in order to simultaneously learn a set of policies using a single policy network, thus reducing the computational cost induced by the training of a large number of individual policies for various preferences. Finally, we introduce Regularization Weight Adaptation to dynamically determine appropriate regularization weights for arbitrary target preferences during deployment. Empirical results on various multi-objective datasets demonstrate the capability of our approach in solving offline MORL problems.

Solving the Paint Shop Problem with Flexible Management of Multi-Lane Buffers Using Reinforcement Learning and Action Masking

In the paint shop problem, an unordered incoming sequence of cars assigned to different colors has to be reshuffled with the objective of minimizing the number of color changes. To reshuffle the incoming sequence, manufacturers can employ a first-in-first-out multi-lane buffer system allowing store and retrieve operations. So far, prior studies primarily focused on simple decision heuristics like greedy or simplified problem variants that do not allow full flexibility when performing store and retrieve operations. In this study, we propose a reinforcement learning approach to minimize color changes for the flexible problem variant, where store and retrieve operations can be performed in an arbitrary order. After proving that greedy retrieval is optimal, we incorporate this finding into the model using action masking. Our evaluation, based on 170 problem instances with 2-8 buffer lanes and 5-15 colors, shows that our approach reduces color changes compared to existing methods by considerable margins depending on the problem size. Furthermore, we demonstrate the robustness of our approach towards different buffer sizes and imbalanced color distributions.

Distributional simplicity bias and effective convexity in Energy Based Models

Energy-based learning is a powerful framework for generative modelling, but its training is inherently non-convex, leading potentially to sensitivity to initialisation, poor local optima, and unstable gradient dynamics. We present a dynamical analysis of energy-based learning through the lens of the effective model, which can be interpreted as either a generalised Ising model with higher-order interactions or the Fourier expansion of the energy. Under sufficient expressivity, we show that the gradient flow induced by learning strictly positive distributions over binary variables admits two types of fixed points: data-consistent points, which exactly reproduce the target distribution, and spurious points, which satisfy stationarity without matching the target distribution. Around data-consistent points, we show that perturbations are either stable or neutral, with neutral directions leaving the effective model invariant. Finally, we show that gradient dynamics induce a hierarchy in which lower-order interactions are learned before higher-order ones. This provides a mechanistic explanation for the distributional simplicity bias and clarifies why fixed points that are not data-consistent at low orders are not observed in practice.

Neural Network Training Using $\ell_1$-Regularization and Bi-fidelity Data

With the capability of accurately representing a functional relationship between the inputs of a physical system's model and output quantities of interest, neural networks have become popular for surrogate modeling in scientific applications. However, as these networks are over-parameterized, their training often requires a large amount of data. To prevent overfitting and improve generalization error, regularization based on, e.g., $\ell_1$- and $\ell_2$-norms of the parameters is applied. Similarly, multiple connections of the network may be pruned to increase sparsity in the network parameters. In this paper, we explore the effects of sparsity promoting $\ell_1$-regularization on training neural networks when only a small training dataset from a high-fidelity model is available. As opposed to standard $\ell_1$-regularization that is known to be inadequate, we consider two variants of $\ell_1$-regularization informed by the parameters of an identical network trained using data from lower-fidelity models of the problem at hand. These bi-fidelity strategies are generalizations of transfer learning of neural networks that uses the parameters learned from a large low-fidelity dataset to efficiently train networks for a small high-fidelity dataset. We also compare the bi-fidelity strategies with two $\ell_1$-regularization methods that only use the high-fidelity dataset. Three numerical examples for propagating uncertainty through physical systems are used to show that the proposed bi-fidelity $\ell_1$-regularization strategies produce errors that are one order of magnitude smaller than those of networks trained only using datasets from the high-fidelity models.

Are we really making much progress? Revisiting, benchmarking, and refining heterogeneous graph neural networks

Heterogeneous graph neural networks (HGNNs) have been blossoming in recent years, but the unique data processing and evaluation setups used by each work obstruct a full understanding of their advancements. In this work, we present a systematical reproduction of 12 recent HGNNs by using their official codes, datasets, settings, and hyperparameters, revealing surprising findings about the progress of HGNNs. We find that the simple homogeneous GNNs, e.g., GCN and GAT, are largely underestimated due to improper settings. GAT with proper inputs can generally match or outperform all existing HGNNs across various scenarios. To facilitate robust and reproducible HGNN research, we construct the Heterogeneous Graph Benchmark (HGB), consisting of 11 diverse datasets with three tasks. HGB standardizes the process of heterogeneous graph data splits, feature processing, and performance evaluation. Finally, we introduce a simple but very strong baseline Simple-HGN--which significantly outperforms all previous models on HGB--to accelerate the advancement of HGNNs in the future.

preprint2024arXiv

Weakly Augmented Variational Autoencoder in Time Series Anomaly Detection

Due to their unsupervised training and uncertainty estimation, deep Variational Autoencoders (VAEs) have become powerful tools for reconstruction-based Time Series Anomaly Detection (TSAD). Existing VAE-based TSAD methods, either statistical or deep, tune meta-priors to estimate the likelihood probability for effectively capturing spatiotemporal dependencies in the data. However, these methods confront the challenge of inherent data scarcity, which is often the case in anomaly detection tasks. Such scarcity easily leads to latent holes, discontinuous regions in latent space, resulting in non-robust reconstructions on these discontinuous spaces. We propose a novel generative framework that combines VAEs with self-supervised learning (SSL) to address this issue.

preprint2023arXiv

Learning Invariant Rules from Data for Interpretable Anomaly Detection

In the research area of anomaly detection, novel and promising methods are frequently developed. However, most existing studies exclusively focus on the detection task only and ignore the interpretability of the underlying models as well as their detection results. Nevertheless, anomaly interpretation, which aims to provide explanation of why specific data instances are identified as anomalies, is an equally important task in many real-world applications. In this work, we propose a novel framework which synergizes several machine learning and data mining techniques to automatically learn invariant rules that are consistently satisfied in a given dataset. The learned invariant rules can provide explicit explanation of anomaly detection results in the inference phase and thus are extremely useful for subsequent decision-making regarding reported anomalies. Furthermore, our empirical evaluation shows that the proposed method can also achieve comparable or even better performance in terms of AUC and partial AUC on public benchmark datasets across various application domains compared with start-of-the-art anomaly detection models.

Simply Stabilizing the Loop via Fully Looped Transformer

Scaling model performance typically requires increasing model size. Looped Transformer offers a compelling alternative by iteratively reusing the same Transformer blocks, trading additional computation for improved performance without increasing parameter count or context length. Because the number of loop iterations can be adjusted at inference, it also provides a natural mechanism for balancing performance and test-time compute. However, Looped Transformer still suffers from training instability when the number of loop iterations increases. Our analysis reveals that this instability stems from two sources: gradient oscillation and residual explosion. To address these two problems, we propose the Fully Looped Transformer, which introduces two parameter-free modifications: (1) Fully Looped Architecture, which distributes inter-loop signals across all layers to mitigate residual explosion; (2) Attention Injection, which reuses the existing attention block to suppress gradient oscillation. These modifications stabilize training dynamics, enabling the Fully Looped Transformer to be trained stably up to 12 loop iterations, whereas other baseline looped models collapse in this regime. In milder settings where Looped Transformer does not collapse, Fully Looped Transformer still improves average downstream-task performance by up to 13.2\%. Overall, our experiments demonstrate that Fully Looped Transformer improves training stability, enhances downstream performance, and provides preliminary adaptability under different test-time compute budgets by varying loop iterations at inference.

preprint2014arXiv

Deep Directed Generative Autoencoders

For discrete data, the likelihood $P(x)$ can be rewritten exactly and parametrized into $P(X = x) = P(X = x | H = f(x)) P(H = f(x))$ if $P(X | H)$ has enough capacity to put no probability mass on any $x'$ for which $f(x')\neq f(x)$, where $f(\cdot)$ is a deterministic discrete function. The log of the first factor gives rise to the log-likelihood reconstruction error of an autoencoder with $f(\cdot)$ as the encoder and $P(X|H)$ as the (probabilistic) decoder. The log of the second term can be seen as a regularizer on the encoded activations $h=f(x)$, e.g., as in sparse autoencoders. Both encoder and decoder can be represented by a deep neural network and trained to maximize the average of the optimal log-likelihood $\log p(x)$. The objective is to learn an encoder $f(\cdot)$ that maps $X$ to $f(X)$ that has a much simpler distribution than $X$ itself, estimated by $P(H)$. This "flattens the manifold" or concentrates probability mass in a smaller number of (relevant) dimensions over which the distribution factorizes. Generating samples from the model is straightforward using ancestral sampling. One challenge is that regular back-propagation cannot be used to obtain

preprint2015arXiv

Distributed Gaussian Processes

To scale Gaussian processes (GPs) to large data sets we introduce the robust Bayesian Committee Machine (rBCM), a practical and scalable product-of-experts model for large-scale distributed GP regression. Unlike state-of-the-art sparse GP approximations, the rBCM is conceptually simple and does not rely on inducing or variational parameters. The key idea is to recursively distribute computations to independent computational units and, subsequently, recombine them to form an overall result. Efficient closed-form inference allows for straightforward parallelisation and distributed computations with a small memory footprint. The rBCM is independent of the computational graph and can be used on heterogeneous computing infrastructures, ranging from laptops to clusters. With sufficient computing resources our distributed GP model can handle arbitrarily large data sets.

Graph Computation Meets Circuit Algebra: A Task-Aligned Analysis of Graph Neural Networks for Electronic Design Automation

EDA problems are graph-structured, but not all graph-structured problems call for the same GNN computation. We argue that successful GNN-for-EDA methods are those whose propagation, aggregation, and supervision align with the native algebra of the target task. Concretely: static timing analysis is a max-plus/min-plus recurrence on a topologically ordered DAG, structurally aligned with asynchronous DAG-GNNs; placement is governed by hypergraph wirelength and density penalties and is exploited by differentiable placers rather than by message-passing GNNs alone; routing congestion is a sparse demand-supply field over a layout grid; switching-activity propagation is a probabilistic recurrence on a directed netlist; IR drop is a linear system on the power-delivery network; and analog symmetry extraction is a discrete constraint-prediction problem on schematic graphs. Through these task-by-task alignments we (i) review the GNN architectural toolkit relevant to circuits, (ii) formalize how circuit graphs differ from generic graphs (directed, heterogeneous, multi-scale, with sequential and clock structure), (iii) characterize where current methods succeed and where the algebra-architecture mismatch limits them, and (iv) identify failure modes--stage leakage, proxy-to-signoff gap, calibration, and design-distribution shift--that we believe are likely to dominate the next phase of work. We position the paper as a GNN-for-EDA, task-aligned analysis rather than a comprehensive AI-for-chip-design survey. Continuous SE(3)-equivariant geometric GNNs are usually mismatched to Manhattan digital layout, and LLM-for-RTL, HLS, and RL/diffusion-based topology generation are outside our scope.

Identifying Statistical Bias in Dataset Replication

Dataset replication is a useful tool for assessing whether improvements in test accuracy on a specific benchmark correspond to improvements in models' ability to generalize reliably. In this work, we present unintuitive yet significant ways in which standard approaches to dataset replication introduce statistical bias, skewing the resulting observations. We study ImageNet-v2, a replication of the ImageNet dataset on which models exhibit a significant (11-14%) drop in accuracy, even after controlling for a standard human-in-the-loop measure of data quality. We show that after correcting for the identified statistical bias, only an estimated $3.6\% \pm 1.5\%$ of the original $11.7\% \pm 1.0\%$ accuracy drop remains unaccounted for. We conclude with concrete recommendations for recognizing and avoiding bias in dataset replication. Code for our study is publicly available at http://github.com/MadryLab/dataset-replication-analysis .

Surrogate-assisted performance prediction for data-driven knowledge discovery algorithms: application to evolutionary modeling of clinical pathways

The paper proposes and investigates an approach for surrogate-assisted performance prediction of data-driven knowledge discovery algorithms. The approach is based on the identification of surrogate models for prediction of the target algorithm's quality and performance. The proposed approach was implemented and investigated as applied to an evolutionary algorithm for discovering clusters of interpretable clinical pathways in electronic health records of patients with acute coronary syndrome. Several clustering metrics and execution time were used as the target quality and performance metrics respectively. An analytical software prototype based on the proposed approach for the prediction of algorithm characteristics and feature analysis was developed to provide a more interpretable prediction of the target algorithm's performance and quality that can be further used for parameter tuning.

Interpretable Predictive Maintenance for Hard Drives

Existing machine learning approaches for data-driven predictive maintenance are usually black boxes that claim high predictive power yet cannot be understood by humans. This limits the ability of humans to use these models to derive insights and understanding of the underlying failure mechanisms, and also limits the degree of confidence that can be placed in such a system to perform well on future data. We consider the task of predicting hard drive failure in a data center using recent algorithms for interpretable machine learning. We demonstrate that these methods provide meaningful insights about short- and long-term drive health, while also maintaining high predictive performance. We also show that these analyses still deliver useful insights even when limited historical data is available, enabling their use in situations where data collection has only recently begun.

preprint2014arXiv

Towards Learning Object Affordance Priors from Technical Texts

Everyday activities performed by artificial assistants can potentially be executed naively and dangerously given their lack of common sense knowledge. This paper presents conceptual work towards obtaining prior knowledge on the usual modality (passive or active) of any given entity, and their affordance estimates, by extracting high-confidence ability modality semantic relations (X can Y relationship) from non-figurative texts, by analyzing co-occurrence of grammatical instances of subjects and verbs, and verbs and objects. The discussion includes an outline of the concept, potential and limitations, and possible feature and learning framework adoption.

Convex Analysis of the Mean Field Langevin Dynamics

As an example of the nonlinear Fokker-Planck equation, the mean field Langevin dynamics recently attracts attention due to its connection to (noisy) gradient descent on infinitely wide neural networks in the mean field regime, and hence the convergence property of the dynamics is of great theoretical interest. In this work, we give a concise and self-contained convergence rate analysis of the mean field Langevin dynamics with respect to the (regularized) objective function in both continuous and discrete time settings. The key ingredient of our proof is a proximal Gibbs distribution $p_q$ associated with the dynamics, which, in combination with techniques in [Vempala and Wibisono (2019)], allows us to develop a simple convergence theory parallel to classical results in convex optimization. Furthermore, we reveal that $p_q$ connects to the duality gap in the empirical risk minimization setting, which enables efficient empirical evaluation of the algorithm convergence.

Latent Domain Learning with Dynamic Residual Adapters

A practical shortcoming of deep neural networks is their specialization to a single task and domain. While recent techniques in domain adaptation and multi-domain learning enable the learning of more domain-agnostic features, their success relies on the presence of domain labels, typically requiring manual annotation and careful curation of datasets. Here we focus on a less explored, but more realistic case: learning from data from multiple domains, without access to domain annotations. In this scenario, standard model training leads to the overfitting of large domains, while disregarding smaller ones. We address this limitation via dynamic residual adapters, an adaptive gating mechanism that helps account for latent domains, coupled with an augmentation strategy inspired by recent style transfer techniques. Our proposed approach is examined on image classification tasks containing multiple latent domains, and we showcase its ability to obtain robust performance across these. Dynamic residual adapters significantly outperform off-the-shelf networks with much larger capacity, and can be incorporated seamlessly with existing architectures in an end-to-end manner.

Adversarially Robust Multi-Armed Bandit Algorithm with Variance-Dependent Regret Bounds

This paper considers the multi-armed bandit (MAB) problem and provides a new best-of-both-worlds (BOBW) algorithm that works nearly optimally in both stochastic and adversarial settings. In stochastic settings, some existing BOBW algorithms achieve tight gap-dependent regret bounds of $O(\sum_{i: Δ_i>0} \frac{\log T}{Δ_i})$ for suboptimality gap $Δ_i$ of arm $i$ and time horizon $T$. As Audibert et al. [2007] have shown, however, that the performance can be improved in stochastic environments with low-variance arms. In fact, they have provided a stochastic MAB algorithm with gap-variance-dependent regret bounds of $O(\sum_{i: Δ_i>0} (\frac{σ_i^2}{Δ_i} + 1) \log T )$ for loss variance $σ_i^2$ of arm $i$. In this paper, we propose the first BOBW algorithm with gap-variance-dependent bounds, showing that the variance information can be used even in the possibly adversarial environment. Further, the leading constant factor in our gap-variance dependent bound is only (almost) twice the value for the lower bound. Additionally, the proposed algorithm enjoys multiple data-dependent regret bounds in adversarial settings and works well in stochastic settings with adversarial corruptions. The proposed algorithm is based on the follow-the-regularized-leader method and employs adaptive learning rates that depend on the empirical prediction error of the loss, which leads to gap-variance-dependent regret bounds reflecting the variance of the arms.

preprint2010arXiv

Union Support Recovery in Multi-task Learning

We sharply characterize the performance of different penalization schemes for the problem of selecting the relevant variables in the multi-task setting. Previous work focuses on the regression problem where conditions on the design matrix complicate the analysis. A clearer and simpler picture emerges by studying the Normal means model. This model, often used in the field of statistics, is a simplified model that provides a laboratory for studying complex procedures.

InfoAT: Improving Adversarial Training Using the Information Bottleneck Principle

Adversarial training (AT) has shown excellent high performance in defending against adversarial examples. Recent studies demonstrate that examples are not equally important to the final robustness of models during AT, that is, the so-called hard examples that can be attacked easily exhibit more influence than robust examples on the final robustness. Therefore, guaranteeing the robustness of hard examples is crucial for improving the final robustness of the model. However, defining effective heuristics to search for hard examples is still difficult. In this article, inspired by the information bottleneck (IB) principle, we uncover that an example with high mutual information of the input and its associated latent representation is more likely to be attacked. Based on this observation, we propose a novel and effective adversarial training method (InfoAT). InfoAT is encouraged to find examples with high mutual information and exploit them efficiently to improve the final robustness of models. Experimental results show that InfoAT achieves the best robustness among different datasets and models in comparison with several state-of-the-art methods.

preprint2013arXiv

An Efficient Primal-Dual Prox Method for Non-Smooth Optimization

We study the non-smooth optimization problems in machine learning, where both the loss function and the regularizer are non-smooth functions. Previous studies on efficient empirical loss minimization assume either a smooth loss function or a strongly convex regularizer, making them unsuitable for non-smooth optimization. We develop a simple yet efficient method for a family of non-smooth optimization problems where the dual form of the loss function is bilinear in primal and dual variables. We cast a non-smooth optimization problem into a minimax optimization problem, and develop a primal dual prox method that solves the minimax optimization problem at a rate of $O(1/T)$ {assuming that the proximal step can be efficiently solved}, significantly faster than a standard subgradient descent method that has an $O(1/\sqrt{T})$ convergence rate. Our empirical study verifies the efficiency of the proposed method for various non-smooth optimization problems that arise ubiquitously in machine learning by comparing it to the state-of-the-art first order methods.

The Power of Iterative Filtering for Supervised Learning with (Heavy) Contamination

Inspired by recent work on learning with distribution shift, we give a general outlier removal algorithm called iterative polynomial filtering and show a number of striking applications for supervised learning with contamination: (1) We show that any function class that can be approximated by low-degree polynomials with respect to a hypercontractive distribution can be efficiently learned under bounded contamination (also known as nasty noise). This is a surprising resolution to a longstanding gap between the complexity of agnostic learning and learning with contamination, as it was widely believed that low-degree approximators only implied tolerance to label noise. In particular, it implies the first efficient algorithm for learning halfspaces with $η$-bounded contamination up to error $2η+ε$ with respect to the Gaussian distribution. (2) For any function class that admits the (stronger) notion of sandwiching approximators, we obtain near-optimal learning guarantees even with respect to heavy additive contamination, where far more than $1/2$ of the training set may be added adversarially. Prior related work held only for regression and in a list-decodable setting. (3) We obtain th

EdgeMap: CrowdSourcing High Definition Map in Automotive Edge Computing

High definition (HD) map needs to be updated frequently to capture road changes, which is constrained by limited specialized collection vehicles. To maintain an up-to-date map, we explore crowdsourcing data from connected vehicles. Updating the map collaboratively is, however, challenging under constrained transmission and computation resources in dynamic networks. In this paper, we propose EdgeMap, a crowdsourcing HD map to minimize the usage of network resources while maintaining the latency requirements. We design a DATE algorithm to adaptively offload vehicular data on a small time scale and reserve network resources on a large time scale, by leveraging the multi-agent deep reinforcement learning and Gaussian process regression. We evaluate the performance of EdgeMap with extensive network simulations in a time-driven end-to-end simulator. The results show that EdgeMap reduces more than 30% resource usage as compared to state-of-the-art solutions.

Towards Stable Imbalanced Data Classification via Virtual Big Data Projection

Virtual Big Data (VBD) proved to be effective to alleviate mode collapse and vanishing generator gradient as two major problems of Generative Adversarial Neural Networks (GANs) very recently. In this paper, we investigate the capability of VBD to address two other major challenges in Machine Learning including deep autoencoder training and imbalanced data classification. First, we prove that, VBD can significantly decrease the validation loss of autoencoders via providing them a huge diversified training data which is the key to reach better generalization to minimize the over-fitting problem. Second, we use the VBD to propose the first projection-based method called cross-concatenation to balance the skewed class distributions without over-sampling. We prove that, cross-concatenation can solve uncertainty problem of data driven methods for imbalanced classification.

EMVLight: A Decentralized Reinforcement Learning Framework for Efficient Passage of Emergency Vehicles

Emergency vehicles (EMVs) play a crucial role in responding to time-critical events such as medical emergencies and fire outbreaks in an urban area. The less time EMVs spend traveling through the traffic, the more likely it would help save people's lives and reduce property loss. To reduce the travel time of EMVs, prior work has used route optimization based on historical traffic-flow data and traffic signal pre-emption based on the optimal route. However, traffic signal pre-emption dynamically changes the traffic flow which, in turn, modifies the optimal route of an EMV. In addition, traffic signal pre-emption practices usually lead to significant disturbances in traffic flow and subsequently increase the travel time for non-EMVs. In this paper, we propose EMVLight, a decentralized reinforcement learning (RL) framework for simultaneous dynamic routing and traffic signal control. EMVLight extends Dijkstra's algorithm to efficiently update the optimal route for the EMVs in real time as it travels through the traffic network. The decentralized RL agents learn network-level cooperative traffic signal phase strategies that not only reduce EMV travel time but also reduce the average travel time of non-EMVs in the network. This benefit has been demonstrated through comprehensive experiments with synthetic and real-world maps. These experiments show that EMVLight outperforms benchmark transportation engineering techniques and existing RL-based signal control methods.

Sampling Enclosing Subgraphs for Link Prediction

Link prediction is a fundamental problem for graph-structured data (e.g., social networks, drug side-effect networks, etc.). Graph neural networks have offered robust solutions for this problem, specifically by learning the representation of the subgraph enclosing the target link (i.e., pair of nodes). However, these solutions do not scale well to large graphs as extraction and operation on enclosing subgraphs are computationally expensive, especially for large graphs. This paper presents a scalable link prediction solution, that we call ScaLed, which utilizes sparse enclosing subgraphs to make predictions. To extract sparse enclosing subgraphs, ScaLed takes multiple random walks from a target pair of nodes, then operates on the sampled enclosing subgraph induced by all visited nodes. By leveraging the smaller sampled enclosing subgraph, ScaLed can scale to larger graphs with much less overhead while maintaining high accuracy. ScaLed further provides the flexibility to control the trade-off between computation overhead and accuracy. Through comprehensive experiments, we have shown that ScaLed can produce comparable accuracy to those reported by the existing subgraph representation learning frameworks while being less computationally demanding.

Surrogate Likelihoods for Variational Annealed Importance Sampling

Variational inference is a powerful paradigm for approximate Bayesian inference with a number of appealing properties, including support for model learning and data subsampling. By contrast MCMC methods like Hamiltonian Monte Carlo do not share these properties but remain attractive since, contrary to parametric methods, MCMC is asymptotically unbiased. For these reasons researchers have sought to combine the strengths of both classes of algorithms, with recent approaches coming closer to realizing this vision in practice. However, supporting data subsampling in these hybrid methods can be a challenge, a shortcoming that we address by introducing a surrogate likelihood that can be learned jointly with other variational parameters. We argue theoretically that the resulting algorithm permits the user to make an intuitive trade-off between inference fidelity and computational cost. In an extensive empirical comparison we show that our method performs well in practice and that it is well-suited for black-box inference in probabilistic programming frameworks.

Efficient Robust Training via Backward Smoothing

Adversarial training is so far the most effective strategy in defending against adversarial examples. However, it suffers from high computational costs due to the iterative adversarial attacks in each training step. Recent studies show that it is possible to achieve fast Adversarial Training by performing a single-step attack with random initialization. However, such an approach still lags behind state-of-the-art adversarial training algorithms on both stability and model robustness. In this work, we develop a new understanding towards Fast Adversarial Training, by viewing random initialization as performing randomized smoothing for better optimization of the inner maximization problem. Following this new perspective, we also propose a new initialization strategy, backward smoothing, to further improve the stability and model robustness over single-step robust training methods. Experiments on multiple benchmarks demonstrate that our method achieves similar model robustness as the original TRADES method while using much less training time ($\sim$3x improvement with the same training schedule).

Cardinality augmented loss functions

Class imbalance is a common and pernicious issue for the training of neural networks. Often, an imbalanced majority class can dominate training to skew classifier performance towards the majority outcome. To address this problem we introduce cardinality augmented loss functions, derived from cardinality-like invariants in modern mathematics literature such as magnitude and the spread. These invariants enrich the concept of cardinality by evaluating the `effective diversity' of a metric space, and as such represent a natural solution to overly homogeneous training data. In this work, we establish a methodology for applying cardinality augmented loss functions in the training of neural networks and report results on both artificially imbalanced datasets as well as a real-world imbalanced material science dataset. We observe significant performance improvement among minority classes, as well as improvement in overall performance metrics.

preprint2015arXiv

Learning Reductions that Really Work

We provide a summary of the mathematical and computational techniques that have enabled learning reductions to effectively address a wide class of problems, and show that this approach to solving machine learning problems can be broadly useful.