nils-herrmann/clean_scirepeval huggingface dataset:
Deep Learning and Quantum Entanglement: Fundamental Connections with Implications to Network Design
Authors: Yoav Levine, David Yakira, Nadav Cohen, Amnon Shashua

Formal understanding of the inductive bias behind deep convolutional networks, i.e. the relation between the network's architectural features and the functions it is able to model, is limited. In this work, we establish a fundamental connection between the fields of quantum physics and deep learning, and use it for obtaining novel theoretical observations regarding the inductive bias of convolutional networks. Specifically, we show a structural equivalence between the function realized by a convolutional arithmetic circuit (ConvAC) and a quantum many-body wave function, which facilitates the use of quantum entanglement measures as quantifiers of a deep network's expressive ability to model correlations. Furthermore, the construction of a deep ConvAC in terms of a quantum Tensor Network is enabled. This allows us to perform a graph-theoretic analysis of a convolutional network, tying its expressiveness to a min-cut in its underlying graph. We demonstrate a practical outcome in the form of a direct control over the inductive bias via the number of channels (width) of each layer. We empirically validate our findings on standard convolutional networks which involve ReLU activations and max pooling. The description of a deep convolutional network in well-defined graph-theoretic tools and the structural connection to quantum entanglement, are two interdisciplinary bridges that are brought forth by this work.
Adversarial score matching and improved sampling for image generation
Authors: Alexia Jolicoeur-Martineau, Rémi Piché-Taillefer, Ioannis Mitliagkas, Remi Tachet des Combes

Denoising Score Matching with Annealed Langevin Sampling (DSM-ALS) has recently found success in generative modeling. The approach works by first training a neural network to estimate the score of a distribution, and then using Langevin dynamics to sample from the data distribution assumed by the score network. Despite the convincing visual quality of samples, this method appears to perform worse than Generative Adversarial Networks (GANs) under the Fréchet Inception Distance, a standard metric for generative models. We show that this apparent gap vanishes when denoising the final Langevin samples using the score network.
In addition, we propose two improvements to DSM-ALS:  1) Consistent Annealed Sampling as a more stable alternative to Annealed Langevin Sampling, and 2) a hybrid training formulation, composed of both Denoising Score Matching and adversarial objectives. By combining these two techniques and exploring different network architectures, we elevate score matching methods and obtain results competitive with state-of-the-art image generation on CIFAR-10.
CDTrans: Cross-domain Transformer for Unsupervised Domain Adaptation
Authors: Tongkun Xu, Weihua Chen, Pichao WANG, Fan Wang, Hao Li, Rong Jin

Unsupervised domain adaptation (UDA) aims to transfer knowledge learned from a labeled source domain to a different unlabeled target domain. Most existing UDA methods focus on learning domain-invariant feature representation, either from the domain level or category level, using convolution neural networks (CNNs)-based frameworks. One fundamental problem for the category level based UDA is the production of pseudo labels for samples in target domain, which are usually too noisy for accurate domain alignment, inevitably compromising the UDA performance.  With the success of Transformer in various tasks, we find that the cross-attention in Transformer is robust to the noisy input pairs for better feature alignment, thus in this paper Transformer is adopted for the challenging UDA task. Specifically, to generate accurate input pairs, we design a two-way center-aware labeling algorithm to produce pseudo labels for target samples. Along with the pseudo labels, a weight-sharing triple-branch transformer framework is proposed to apply self-attention and cross-attention for source/target feature learning and source-target domain alignment, respectively. 
Such design explicitly enforces the framework to learn discriminative domain-specific and domain-invariant representations simultaneously. The proposed method is dubbed CDTrans (cross-domain transformer), and it provides one of the first attempts to solve UDA tasks with a pure transformer solution. Experiments show that our proposed method achieves the best performance on public UDA datasets, e.g. VisDA-2017 and DomainNet. Code and models are available at https://github.com/CDTrans/CDTrans.
Explaining Point Processes by Learning Interpretable Temporal Logic Rules
Authors: Shuang Li, Mingquan Feng, Lu Wang, Abdelmajid Essofi, Yufeng Cao, Junchi Yan, Le Song

We propose a principled method to learn a set of human-readable logic rules to explain temporal point processes. 
We assume that the generative mechanisms underlying the temporal point processes are governed by a set of first-order temporal logic rules, as a compact representation of domain knowledge. Our method formulates the rule discovery process from noisy event data as a maximum likelihood problem, and designs an efficient and tractable branch-and-price algorithm to progressively search for new rules and expand existing rules. The proposed algorithm alternates between the rule generation stage and the rule evaluation stage, and uncovers the most important collection of logic rules within a fixed time limit for both synthetic and real event data. In a real healthcare application, we also had human experts (i.e., doctors) verify the learned temporal logic rules and provide further improvements. These expert-revised interpretable rules lead to a point process model which outperforms previous state-of-the-arts for symptom prediction, both in their occurrence times and types.
Contrastive Behavioral Similarity Embeddings for Generalization in Reinforcement Learning
Authors: Rishabh Agarwal, Marlos C. Machado, Pablo Samuel Castro, Marc G Bellemare

Reinforcement learning methods trained on few environments rarely learn policies that generalize to unseen environments. To improve generalization, we incorporate the inherent sequential structure in reinforcement learning into the representation learning process. This approach is orthogonal to recent approaches, which rarely exploit this structure explicitly. Specifically, we introduce a theoretically motivated policy similarity metric (PSM) for measuring behavioral similarity between states. PSM assigns high similarity to states for which the optimal policies in those states as well as in future states are similar. We also present a contrastive representation learning procedure to embed any state similarity metric, which we instantiate with PSM to obtain policy similarity embeddings (PSEs). We demonstrate that PSEs improve generalization on diverse benchmarks, including LQR with spurious correlations, a jumping task from pixels, and Distracting DM Control Suite.
Negative Data Augmentation 
Authors: Abhishek Sinha, Kumar Ayush, Jiaming Song, Burak Uzkent, Hongxia Jin, Stefano Ermon

Data augmentation is often used to enlarge datasets with synthetic samples generated in accordance with the underlying data distribution. To enable a wider range of augmentations, we explore negative data augmentation strategies (NDA) that intentionally create out-of-distribution samples. We show that such negative out-of-distribution samples provide information on the support of the data distribution,  and can be leveraged for generative modeling and representation learning. We introduce a new GAN training objective where we use NDA as an additional source of synthetic data for the discriminator. We prove that under suitable conditions, optimizing the resulting objective still recovers the true data distribution but can directly bias the generator towards avoiding samples that lack the desired structure. Empirically, models trained with our method achieve improved conditional/unconditional image generation along with improved anomaly detection capabilities. Further, we incorporate the same negative data augmentation strategy in a contrastive learning framework for self-supervised representation learning on images and videos, achieving improved performance on downstream image classification, object detection, and action recognition tasks. These results suggest that prior knowledge on what does not constitute valid data is an effective form of weak supervision across a range of unsupervised learning tasks.
GLASS: GNN with Labeling Tricks for Subgraph Representation Learning
Authors: Xiyuan Wang, Muhan Zhang

Despite the remarkable achievements of Graph Neural Networks (GNNs) on graph representation learning, few works have tried to use them to predict properties of subgraphs in the whole graph. The existing state-of-the-art method SubGNN introduces an overly complicated subgraph-level GNN model which synthesizes three artificial channels each of which has two carefully designed subgraph-level message passing modules, yet only slightly outperforms a plain GNN which performs node-level message passing and then pools node embeddings within the subgraph. By analyzing SubGNN and plain GNNs, we find that the key for subgraph representation learning might be to distinguish nodes inside and outside the subgraph. With this insight, we propose an expressive and scalable labeling trick, namely max-zero-one, to enhance plain GNNs for subgraph tasks. The resulting model is called GLASS (GNN with LAbeling trickS for Subgraph). We theoretically characterize GLASS's expressive power. Compared with SubGNN, GLASS is more expressive, more scalable, and easier to implement. Experiments on eight benchmark datasets show that GLASS outperforms the strongest baseline by $14.8\%$ on average. And ablation analysis shows that our max-zero-one labeling trick can boost the performance of a plain GNN by up to $105\%$ in maximum, which illustrates the effectiveness of labeling trick on subgraph tasks. Furthermore, training a GLASS model only takes $37\%$ time needed for a SubGNN on average.
Eidetic 3D LSTM: A Model for Video Prediction and Beyond
Authors: Yunbo Wang, Lu Jiang, Ming-Hsuan Yang, Li-Jia Li, Mingsheng Long, Li Fei-Fei

Spatiotemporal predictive learning, though long considered to be a promising self-supervised feature learning method, seldom shows its effectiveness beyond future video prediction. The reason is that it is difficult to learn good representations for both short-term frame dependency and long-term high-level relations. We present a new model, Eidetic 3D LSTM (E3D-LSTM), that integrates 3D convolutions into RNNs. The encapsulated 3D-Conv makes local perceptrons of RNNs motion-aware and enables the memory cell to store better short-term features. For long-term relations, we make the present memory state interact with its historical records via a gate-controlled self-attention module. We describe this memory transition mechanism eidetic as it is able to effectively recall the stored memories across multiple time stamps even after long periods of disturbance. We first evaluate the E3D-LSTM network on widely-used future video prediction datasets and achieve the state-of-the-art performance. Then we show that the E3D-LSTM network also performs well on the early activity recognition to infer what is happening or what will happen after observing only limited frames of video. This task aligns well with video prediction in modeling action intentions and tendency.
Federated Learning from Only Unlabeled Data with Class-conditional-sharing Clients
Authors: Nan Lu, Zhao Wang, Xiaoxiao Li, Gang Niu, Qi Dou, Masashi Sugiyama

Supervised federated learning (FL) enables multiple clients to share the trained model without sharing their labeled data. However, potential clients might even be reluctant to label their own data, which could limit the applicability of FL in practice. In this paper, we show the possibility of unsupervised FL whose model is still a classifier for predicting class labels, if the class-prior probabilities are shifted while the class-conditional distributions are shared among the unlabeled data owned by the clients. We propose federation of unsupervised learning (FedUL), where the unlabeled data are transformed into surrogate labeled data for each of the clients, a modified model is trained by supervised FL, and the wanted model is recovered from the modified model. FedUL is a very general solution to unsupervised FL: it is compatible with many supervised FL methods, and the recovery of the wanted model can be theoretically guaranteed as if the data have been labeled. Experiments on benchmark and real-world datasets demonstrate the effectiveness of FedUL. Code is available at https://github.com/lunanbit/FedUL.
Towards General Function Approximation in Zero-Sum Markov Games
Authors: Baihe Huang, Jason D. Lee, Zhaoran Wang, Zhuoran Yang

This paper considers two-player zero-sum finite-horizon Markov games with simultaneous moves. The study focuses on the challenging settings where the value
function or the model is parameterized by general function classes. Provably efficient
algorithms for both decoupled and coordinated settings are developed. In the decoupled setting where the agent controls a single player and plays against an arbitrary opponent, we propose a new model-free algorithm. The sample complexity is governed by the Minimax Eluder dimension—a new dimension of the function class in Markov games. As a special case, this method improves the state-of-the-art algorithm
by a $\sqrt{d}$ factor in the regret when the reward function and transition kernel are parameterized with d-dimensional linear features. In the coordinated setting where both
players are controlled by the agent, we propose a model-based algorithm and a model-free algorithm. In the model-based algorithm, we prove that sample complexity can
be bounded by a generalization of Witness rank to Markov games. The model-free
algorithm enjoys a  $\sqrt{K}$-regret upper bound where $K$ is the number of episodes. Our
algorithms are based on new techniques of alternate optimism
Zero Pixel Directional Boundary by Vector Transform
Authors: Edoardo Mello Rella, Ajad Chhatkuli, Yun Liu, Ender Konukoglu, Luc Van Gool

Boundaries or contours are among the primary visual cues used by human and computer vision systems. One of the key problems in boundary detection is the loss formulation, which typically leads to class imbalance and, as a consequence, to thick boundaries which require non-differential post-processing steps to be thinned.
In this paper, we re-interpret boundaries as 1-D surfaces and formulate a one-to-one vector transform function that allows for training of boundary prediction completely avoiding the class imbalance issue. Specifically, we define the boundary representation at any point as the unit vector pointing to the closest boundary surface.
Our problem formulation leads to the estimation of direction as well as richer contextual information of the boundary, and, if desired, the availability of zero-pixel thin boundaries also at training time. Our method uses no hyper-parameter in the training loss and a fixed stable hyper-parameter at inference. We provide theoretical justification/discussions of the vector transform representation. We evaluate the proposed loss method using a standard architecture and show the excellent performance over other losses and representations on several datasets.
Kernel Implicit Variational Inference
Authors: Jiaxin Shi, Shengyang Sun, Jun Zhu

Recent progress in variational inference has paid much attention to the flexibility of variational posteriors. One promising direction is to use implicit distributions, i.e., distributions without tractable densities as the variational posterior. However, existing methods on implicit posteriors still face challenges of noisy estimation and computational infeasibility when applied to models with high-dimensional latent variables. In this paper, we present a new approach named Kernel Implicit Variational Inference that addresses these challenges. As far as we know, for the first time implicit variational inference is successfully applied to Bayesian neural networks, which shows promising results on both regression and classification tasks.
Learning Temporally Causal Latent Processes from General Temporal Data
Authors: Weiran Yao, Yuewen Sun, Alex Ho, Changyin Sun, Kun Zhang

Our goal is to recover time-delayed latent causal variables and identify their relations from measured temporal data. Estimating causally-related latent variables from observations is particularly challenging as the latent variables are not uniquely recoverable in the most general case. In this work, we consider both a nonparametric, nonstationary setting and a parametric setting for the latent processes and propose two provable conditions under which temporally causal latent processes can be identified from their nonlinear mixtures. We propose LEAP, a theoretically-grounded framework that extends Variational AutoEncoders (VAEs) by enforcing our conditions through proper constraints in causal process prior. Experimental results on various datasets demonstrate that temporally causal latent processes are reliably identified from observed variables under different dependency structures and that our approach considerably outperforms baselines that do not properly leverage history or nonstationarity information. This demonstrates that using temporal information to learn latent processes from their invertible nonlinear mixtures in an unsupervised manner, for which we believe our work is one of the first, seems promising even without sparsity or minimality assumptions.
Low-Budget Active Learning via Wasserstein Distance: An Integer Programming Approach
Authors: Rafid Mahmood, Sanja Fidler, Marc T Law

Active learning is the process of training a model with limited labeled data by selecting a core subset of an unlabeled data pool to label. The large scale of data sets used in deep learning forces most sample selection strategies to employ efficient heuristics. This paper introduces an integer optimization problem for selecting a core set that minimizes the discrete Wasserstein distance from the unlabeled pool. We demonstrate that this problem can be tractably solved with a Generalized Benders Decomposition algorithm. Our strategy uses high-quality latent features that can be obtained by unsupervised learning on the unlabeled pool. Numerical results on several data sets show that our optimization approach is competitive with baselines and particularly outperforms them in the low budget regime where less than one percent of the data set is labeled.
Robust early-learning: Hindering the memorization of noisy labels
Authors: Xiaobo Xia, Tongliang Liu, Bo Han, Chen Gong, Nannan Wang, Zongyuan Ge, Yi Chang

The \textit{memorization effects} of deep networks show that they will first memorize training data with clean labels and then those with noisy labels. The \textit{early stopping} method therefore can be exploited for learning with noisy labels. However, the side effect brought by noisy labels will influence the memorization of clean labels before early stopping. In this paper, motivated by the \textit{lottery ticket hypothesis} which shows that only partial parameters are important for generalization, we find that only partial parameters are important for fitting clean labels and generalize well, which we term as \textit{critical parameters}; while the other parameters tend to fit noisy labels and cannot generalize well, which we term as \textit{non-critical parameters}. Based on this, we propose \textit{robust early-learning} to reduce the side effect of noisy labels before early stopping and thus enhance the memorization of clean labels. Specifically, in each iteration, we divide all parameters into the critical and non-critical ones, and then perform different update rules for different types of parameters. Extensive experiments on benchmark-simulated and real-world label-noise datasets demonstrate the superiority of the proposed method over the state-of-the-art label-noise learning methods.
Leveraging unlabeled data to predict out-of-distribution performance
Authors: Saurabh Garg, Sivaraman Balakrishnan, Zachary Chase Lipton, Behnam Neyshabur, Hanie Sedghi

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions
that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a \emph{threshold} on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (\textsc{Wilds}-FMoW, ImageNet, \breeds, CIFAR, and MNIST).  In our experiments, ATC estimates target performance $2\text{--}4\times$ more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works.
Complex Query Answering with Neural Link Predictors
Authors: Erik Arakelyan, Daniel Daza, Pasquale Minervini, Michael Cochez

Neural link predictors are immensely useful for identifying missing edges in large scale Knowledge Graphs. However, it is still not clear how to use these models for answering more complex queries that arise in a number of domains, such as queries using logical conjunctions ($\land$), disjunctions ($\lor$) and existential quantifiers ($\exists$), while accounting for missing edges. In this work, we propose a framework for efficiently answering complex queries on incomplete Knowledge Graphs. We translate each query into an end-to-end differentiable objective, where the truth value of each atom is computed by a pre-trained neural link predictor. We then analyse two solutions to the optimisation problem, including gradient-based and combinatorial search. In our experiments, the proposed approach produces more accurate results than state-of-the-art methods --- black-box neural models trained on millions of generated queries --- without the need of training on a large and diverse set of complex queries. Using orders of magnitude less training data, we obtain relative improvements ranging from 8% up to 40% in Hits@3 across different knowledge graphs containing factual information. Finally, we demonstrate that it is possible to explain the outcome of our model in terms of the intermediate solutions identified for each of the complex query atoms. All our source code and datasets are available online, at https://github.com/uclnlp/cqd.