pwc-archive/papers-with-abstracts huggingface dataset:
ZLPR: A Novel Loss for Multi-label Classification
Authors: Jianlin Su, Mingren Zhu, Ahmed Murtadha, Shengfeng Pan, Bo Wen, Yunfeng Liu
Date: 2022-08-05 00:00:00
Tasks: Classification, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

In the era of deep learning, loss functions determine the range of tasks available to models and algorithms. To support the application of deep learning in multi-label classification (MLC) tasks, we propose the ZLPR (zero-bounded log-sum-exp \& pairwise rank-based) loss in this paper. Compared to other rank-based losses for MLC, ZLPR can handel problems that the number of target labels is uncertain, which, in this point of view, makes it equally capable with the other two strategies often used in MLC, namely the binary relevance (BR) and the label powerset (LP). Additionally, ZLPR takes the corelation between labels into consideration, which makes it more comprehensive than the BR methods. In terms of computational complexity, ZLPR can compete with the BR methods because its prediction is also label-independent, which makes it take less time and memory than the LP methods. Our experiments demonstrate the effectiveness of ZLPR on multiple benchmark datasets and multiple evaluation metrics. Moreover, we propose the soft version and the corresponding KL-divergency calculation method of ZLPR, which makes it possible to apply some regularization tricks such as label smoothing to enhance the generalization of models.
Enhancing the Robustness via Adversarial Learning and Joint Spatial-Temporal Embeddings in Traffic Forecasting
Authors: Juyong Jiang, Binqing Wu, Ling Chen, Kai Zhang, Sunghun Kim
Date: 2022-08-05 00:00:00
Tasks: Time Series, Time Series Analysis

Traffic forecasting is an essential problem in urban planning and computing. The complex dynamic spatial-temporal dependencies among traffic objects (e.g., sensors and road segments) have been calling for highly flexible models; unfortunately, sophisticated models may suffer from poor robustness especially in capturing the trend of the time series (1st-order derivatives with time), leading to unrealistic forecasts. To address the challenge of balancing dynamics and robustness, we propose TrendGCN, a new scheme that extends the flexibility of GCNs and the distribution-preserving capacity of generative and adversarial loss for handling sequential data with inherent statistical correlations. On the one hand, our model simultaneously incorporates spatial (node-wise) embeddings and temporal (time-wise) embeddings to account for heterogeneous space-and-time convolutions; on the other hand, it uses GAN structure to systematically evaluate statistical consistencies between the real and the predicted time series in terms of both the temporal trending and the complex spatial-temporal dependencies. Compared with traditional approaches that handle step-wise predictive errors independently, our approach can produce more realistic and robust forecasts. Experiments on six benchmark traffic forecasting datasets and theoretical analysis both demonstrate the superiority and the state-of-the-art performance of TrendGCN. Source code is available at https://github.com/juyongjiang/TrendGCN.
Tailoring to the Tails: Risk Measures for Fine-Grained Tail Sensitivity
Authors: Christian Fröhlich, Robert C. Williamson
Date: 2022-08-05 00:00:00
Tasks: BIG-bench Machine Learning, Sensitivity

Expected risk minimization (ERM) is at the core of many machine learning systems. This means that the risk inherent in a loss distribution is summarized using a single number - its average. In this paper, we propose a general approach to construct risk measures which exhibit a desired tail sensitivity and may replace the expectation operator in ERM. Our method relies on the specification of a reference distribution with a desired tail behaviour, which is in a one-to-one correspondence to a coherent upper probability. Any risk measure, which is compatible with this upper probability, displays a tail sensitivity which is finely tuned to the reference distribution. As a concrete example, we focus on divergence risk measures based on f-divergence ambiguity sets, which are a widespread tool used to foster distributional robustness of machine learning systems. For instance, we show how ambiguity sets based on the Kullback-Leibler divergence are intricately tied to the class of subexponential random variables. We elaborate the connection of divergence risk measures and rearrangement invariant Banach norms.
PGX: A Multi-level GNN Explanation Framework Based on Separate Knowledge Distillation Processes
Authors: Tien-Cuong Bui, Wen-Syan Li, Sang-Kyun Cha
Date: 2022-08-05 00:00:00
Tasks: Knowledge Distillation, Representation Learning

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to the complexity of GNN execution. Lately, many works have been proposed to address some of the issues in GNN explanation. However, they lack generalization capability or suffer from computational burden when the size of graphs is enormous. To address these challenges, we propose a multi-level GNN explanation framework based on an observation that GNN is a multimodal learning process of multiple components in graph data. The complexity of the original problem is relaxed by breaking into multiple sub-parts represented as a hierarchical structure. The top-level explanation aims at specifying the contribution of each component to the model execution and predictions, while fine-grained levels focus on feature attribution and graph structure attribution analysis based on knowledge distillation. Student models are trained in standalone modes and are responsible for capturing different teacher behaviors, later used for particular component interpretation. Besides, we also aim for personalized explanations as the framework can generate different results based on user preferences. Finally, extensive experiments demonstrate the effectiveness and fidelity of our proposed approach.
Cohort comfort models -- Using occupants' similarity to predict personal thermal preference with less data
Authors: Matias Quintana, Stefano Schiavon, Federico Tartarini, Joyce Kim, Clayton Miller
Date: 2022-08-05 00:00:00

We introduce Cohort Comfort Models, a new framework for predicting how new occupants would perceive their thermal environment. Cohort Comfort Models leverage historical data collected from a sample population, who have some underlying preference similarity, to predict thermal preference responses of new occupants. Our framework is capable of exploiting available background information such as physical characteristics and one-time on-boarding surveys (satisfaction with life scale, highly sensitive person scale, the Big Five personality traits) from the new occupant as well as physiological and environmental sensor measurements paired with thermal preference responses. We implemented our framework in two publicly available datasets containing longitudinal data from 55 people, comprising more than 6,000 individual thermal comfort surveys. We observed that, a Cohort Comfort Model that uses background information provided very little change in thermal preference prediction performance but uses none historical data. On the other hand, for half and one third of each dataset occupant population, using Cohort Comfort Models, with less historical data from target occupants, Cohort Comfort Models increased their thermal preference prediction by 8~\% and 5~\% on average, and up to 36~\% and 46~\% for some occupants, when compared to general-purpose models trained on the whole population of occupants. The framework is presented in a data and site agnostic manner, with its different components easily tailored to the data availability of the occupants and the buildings. Cohort Comfort Models can be an important step towards personalization without the need of developing a personalized model for each new occupant.
Data-free Backdoor Removal based on Channel Lipschitzness
Authors: Runkai Zheng, Rongjun Tang, Jianze Li, Li Liu
Date: 2022-08-05 00:00:00

Recent studies have shown that Deep Neural Networks (DNNs) are vulnerable to the backdoor attacks, which leads to malicious behaviors of DNNs when specific triggers are attached to the input images. It was further demonstrated that the infected DNNs possess a collection of channels, which are more sensitive to the backdoor triggers compared with normal channels. Pruning these channels was then shown to be effective in mitigating the backdoor behaviors. To locate those channels, it is natural to consider their Lipschitzness, which measures their sensitivity against worst-case perturbations on the inputs. In this work, we introduce a novel concept called Channel Lipschitz Constant (CLC), which is defined as the Lipschitz constant of the mapping from the input images to the output of each channel. Then we provide empirical evidences to show the strong correlation between an Upper bound of the CLC (UCLC) and the trigger-activated change on the channel activation. Since UCLC can be directly calculated from the weight matrices, we can detect the potential backdoor channels in a data-free manner, and do simple pruning on the infected DNN to repair the model. The proposed Channel Lipschitzness based Pruning (CLP) method is super fast, simple, data-free and robust to the choice of the pruning threshold. Extensive experiments are conducted to evaluate the efficiency and effectiveness of CLP, which achieves state-of-the-art results among the mainstream defense methods even without any data. Source codes are available at https://github.com/rkteddy/channel-Lipschitzness-based-pruning.
Explanation of Machine Learning Models of Colon Cancer Using SHAP Considering Interaction Effects
Authors: Yasunobu Nohara, Toyoshi Inoguchi, Chinatsu Nojiri, Naoki Nakashima
Date: 2022-08-05 00:00:00
Tasks: BIG-bench Machine Learning, Decision Making

When using machine learning techniques in decision-making processes, the interpretability of the models is important. Shapley additive explanation (SHAP) is one of the most promising interpretation methods for machine learning models. Interaction effects occur when the effect of one variable depends on the value of another variable. Even if each variable has little effect on the outcome, its combination can have an unexpectedly large impact on the outcome. Understanding interactions is important for understanding machine learning models; however, naive SHAP analysis cannot distinguish between the main effect and interaction effects. In this paper, we introduce the Shapley-Taylor index as an interpretation method for machine learning models using SHAP considering interaction effects. We apply the method to the cancer cohort data of Kyushu University Hospital (N=29,080) to analyze what combination of factors contributes to the risk of colon cancer.
On the non-universality of deep learning: quantifying the cost of symmetry
Authors: Emmanuel Abbe, Enric Boix-Adsera
Date: 2022-08-05 00:00:00

We prove limitations on what neural networks trained by noisy gradient descent (GD) can efficiently learn. Our results apply whenever GD training is equivariant, which holds for many standard architectures and initializations. As applications, (i) we characterize the functions that fully-connected networks can weak-learn on the binary hypercube and unit sphere, demonstrating that depth-2 is as powerful as any other depth for this task; (ii) we extend the merged-staircase necessity result for learning with latent low-dimensional structure [ABM22] to beyond the mean-field regime. Under cryptographic assumptions, we also show hardness results for learning with fully-connected networks trained by stochastic gradient descent (SGD).
Adaptive Stochastic Gradient Descent for Fast and Communication-Efficient Distributed Learning
Authors: Serge Kas Hanna, Rawad Bitar, Parimal Parag, Venkat Dasari, Salim El Rouayheb
Date: 2022-08-04 00:00:00

We consider the setting where a master wants to run a distributed stochastic gradient descent (SGD) algorithm on $n$ workers, each having a subset of the data. Distributed SGD may suffer from the effect of stragglers, i.e., slow or unresponsive workers who cause delays. One solution studied in the literature is to wait at each iteration for the responses of the fastest $k<n$ workers before updating the model, where $k$ is a fixed parameter. The choice of the value of $k$ presents a trade-off between the runtime (i.e., convergence rate) of SGD and the error of the model. Towards optimizing the error-runtime trade-off, we investigate distributed SGD with adaptive~$k$, i.e., varying $k$ throughout the runtime of the algorithm. We first design an adaptive policy for varying $k$ that optimizes this trade-off based on an upper bound on the error as a function of the wall-clock time that we derive. Then, we propose and implement an algorithm for adaptive distributed SGD that is based on a statistical heuristic. Our results show that the adaptive version of distributed SGD can reach lower error values in less time compared to non-adaptive implementations. Moreover, the results also show that the adaptive version is communication-efficient, where the amount of communication required between the master and the workers is less than that of non-adaptive versions.
Almost-Orthogonal Layers for Efficient General-Purpose Lipschitz Networks
Authors: Bernd Prach, Christoph H. Lampert
Date: 2022-08-05 00:00:00
Tasks: image-classification, Image Classification

It is a highly desirable property for deep networks to be robust against small input changes. One popular way to achieve this property is by designing networks with a small Lipschitz constant. In this work, we propose a new technique for constructing such Lipschitz networks that has a number of desirable properties: it can be applied to any linear network layer (fully-connected or convolutional), it provides formal guarantees on the Lipschitz constant, it is easy to implement and efficient to run, and it can be combined with any training objective and optimization method. In fact, our technique is the first one in the literature that achieves all of these properties simultaneously. Our main contribution is a rescaling-based weight matrix parametrization that guarantees each network layer to have a Lipschitz constant of at most 1 and results in the learned weight matrices to be close to orthogonal. Hence we call such layers almost-orthogonal Lipschitz (AOL). Experiments and ablation studies in the context of image classification with certified robust accuracy confirm that AOL layers achieve results that are on par with most existing methods. Yet, they are simpler to implement and more broadly applicable, because they do not require computationally expensive matrix orthogonalization or inversion steps as part of the network architecture. We provide code at https://github.com/berndprach/AOL.
Learning programs with magic values
Authors: Céline Hocquette, Andrew Cropper
Date: 2022-08-05 00:00:00
Tasks: Drug Design, Inductive logic programming, Program Synthesis

A magic value in a program is a constant symbol that is essential for the execution of the program but has no clear explanation for its choice. Learning programs with magic values is difficult for existing program synthesis approaches. To overcome this limitation, we introduce an inductive logic programming approach to efficiently learn programs with magic values. Our experiments on diverse domains, including program synthesis, drug design, and game playing, show that our approach can (i) outperform existing approaches in terms of predictive accuracies and learning times, (ii) learn magic values from infinite domains, such as the value of pi, and (iii) scale to domains with millions of constant symbols.
An Approximate Policy Iteration Viewpoint of Actor-Critic Algorithms
Authors: Zaiwei Chen, Siva Theja Maguluri
Date: 2022-08-05 00:00:00

In this work, we consider policy-based methods for solving the reinforcement learning problem, and establish the sample complexity guarantees. A policy-based algorithm typically consists of an actor and a critic. We consider using various policy update rules for the actor, including the celebrated natural policy gradient. In contrast to the gradient ascent approach taken in the literature, we view natural policy gradient as an approximate way of implementing policy iteration, and show that natural policy gradient (without any regularization) enjoys geometric convergence when using increasing stepsizes. As for the critic, we consider using TD-learning with linear function approximation and off-policy sampling. Since it is well-known that in this setting TD-learning can be unstable, we propose a stable generic algorithm (including two specific algorithms: the $\lambda$-averaged $Q$-trace and the two-sided $Q$-trace) that uses multi-step return and generalized importance sampling factors, and provide the finite-sample analysis. Combining the geometric convergence of the actor with the finite-sample analysis of the critic, we establish for the first time an overall $\mathcal{O}(\epsilon^{-2})$ sample complexity for finding an optimal policy (up to a function approximation error) using policy-based methods under off-policy sampling and linear function approximation.
Parameter Averaging for Feature Ranking
Authors: Talip Ucar, Ehsan Hajiramezanali
Date: 2022-08-05 00:00:00
Tasks: Decision Making, Feature Importance, feature selection

Neural Networks are known to be sensitive to initialisation. The methods that rely on neural networks for feature ranking are not robust since they can have variations in their ranking when the model is initialized and trained with different random seeds. In this work, we introduce a novel method based on parameter averaging to estimate accurate and robust feature importance in tabular data setting, referred as XTab. We first initialize and train multiple instances of a shallow network (referred as local masks) with "different random seeds" for a downstream task. We then obtain a global mask model by "averaging the parameters" of local masks. We show that although the parameter averaging might result in a global model with higher loss, it still leads to the discovery of the ground-truth feature importance more consistently than an individual model does. We conduct extensive experiments on a variety of synthetic and real-world data, demonstrating that the XTab can be used to obtain the global feature importance that is not sensitive to sub-optimal model initialisation.
Towards Antisymmetric Neural Ansatz Separation
Authors: Aaron Zweig, Joan Bruna
Date: 2022-08-05 00:00:00
Tasks: Form

We study separations between two fundamental models (or \emph{Ans\"atze}) of antisymmetric functions, that is, functions $f$ of the form $f(x_{\sigma(1)}, \ldots, x_{\sigma(N)}) = \text{sign}(\sigma)f(x_1, \ldots, x_N)$, where $\sigma$ is any permutation. These arise in the context of quantum chemistry, and are the basic modeling tool for wavefunctions of Fermionic systems. Specifically, we consider two popular antisymmetric Ans\"atze: the Slater representation, which leverages the alternating structure of determinants, and the Jastrow ansatz, which augments Slater determinants with a product by an arbitrary symmetric function. We construct an antisymmetric function in $N$ dimensions that can be efficiently expressed in Jastrow form, yet provably cannot be approximated by Slater determinants unless there are exponentially (in $N^2$) many terms. This represents the first explicit quantitative separation between these two Ans\"atze.
Decision SincNet: Neurocognitive models of decision making that predict cognitive processes from neural signals
Authors: Qinhua Jenny Sun, Khuong Vo, Kitty Lui, Michael Nunez, Joachim Vandekerckhove, Ramesh Srinivasan
Date: 2022-08-04 00:00:00
Tasks: Decision Making, EEG, Electroencephalogram (EEG)

Human decision making behavior is observed with choice-response time data during psychological experiments. Drift-diffusion models of this data consist of a Wiener first-passage time (WFPT) distribution and are described by cognitive parameters: drift rate, boundary separation, and starting point. These estimated parameters are of interest to neuroscientists as they can be mapped to features of cognitive processes of decision making (such as speed, caution, and bias) and related to brain activity. The observed patterns of RT also reflect the variability of cognitive processes from trial to trial mediated by neural dynamics. We adapted a SincNet-based shallow neural network architecture to fit the Drift-Diffusion model using EEG signals on every experimental trial. The model consists of a SincNet layer, a depthwise spatial convolution layer, and two separate FC layers that predict drift rate and boundary for each trial in-parallel. The SincNet layer parametrized the kernels in order to directly learn the low and high cutoff frequencies of bandpass filters that are applied to the EEG data to predict drift and boundary parameters. During training, model parameters were updated by minimizing the negative log likelihood function of WFPT distribution given trial RT. We developed separate decision SincNet models for each participant performing a two-alternative forced-choice task. Our results showed that single-trial estimates of drift and boundary performed better at predicting RTs than the median estimates in both training and test data sets, suggesting that our model can successfully use EEG features to estimate meaningful single-trial Diffusion model parameters. Furthermore, the shallow SincNet architecture identified time windows of information processing related to evidence accumulation and caution and the EEG frequency bands that reflect these processes within each participant.
Towards Augmented Microscopy with Reinforcement Learning-Enhanced Workflows
Authors: Michael Xu, Abinash Kumar, James M. LeBeau
Date: 2022-08-04 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Here, we report a case study implementation of reinforcement learning (RL) to automate operations in the scanning transmission electron microscopy (STEM) workflow. To do so, we design a virtual, prototypical RL environment to test and develop a network to autonomously align the electron beam without prior knowledge. Using this simulator, we evaluate the impact of environment design and algorithm hyperparameters on alignment accuracy and learning convergence, showing robust convergence across a wide hyperparameter space. Additionally, we deploy a successful model on the microscope to validate the approach and demonstrate the value of designing appropriate virtual environments. Consistent with simulated results, the on-microscope RL model achieves convergence to the goal alignment after minimal training. Overall, the results highlight that by taking advantage of RL, microscope operations can be automated without the need for extensive algorithm design, taking another step towards augmenting electron microscopy with machine learning methods.