nils-herrmann/clean_scirepeval huggingface dataset:
On Solving Minimax Optimization Locally: A Follow-the-Ridge Approach
Authors: Yuanhao Wang*, Guodong Zhang*, Jimmy Ba

Many tasks in modern machine learning can be formulated as finding equilibria in sequential games. In particular, two-player zero-sum sequential games, also known as minimax optimization, have received growing interest. It is tempting to apply gradient descent to solve minimax optimization given its popularity and success in supervised learning. However, it has been noted that naive application of gradient descent fails to find some local minimax and can converge to non-local-minimax points. In this paper, we propose Follow-the-Ridge (FR), a novel algorithm that provably converges to and only converges to local minimax. We show theoretically that the algorithm addresses the notorious rotational behaviour of gradient dynamics, and is compatible with preconditioning and positive momentum. Empirically, FR solves toy minimax problems and improves the convergence of GAN training compared to the recent minimax optimization algorithms.
Taming Sparsely Activated Transformer with Stochastic Experts
Authors: Simiao Zuo, Xiaodong Liu, Jian Jiao, Young Jin Kim, Hany Hassan, Ruofei Zhang, Jianfeng Gao, Tuo Zhao

Sparsely activated models (SAMs), such as Mixture-of-Experts (MoE), can easily scale to have outrageously large amounts of parameters without significant increase in computational cost. However, SAMs are reported to be parameter inefficient such that larger models do not always lead to better performance. While most on-going research focuses on improving SAMs models by exploring methods of routing inputs to experts, our analysis reveals that such research might not lead to the solution we expect, i.e., the commonly-used routing methods based on gating mechanisms do not work better than randomly routing inputs to experts. In this paper, we propose a new expert-based model, THOR ($\underline{\textbf{T}}$ransformer wit$\underline{\textbf{H}}$ St$\underline{\textbf{O}}$chastic Expe$\underline{\textbf{R}}$ts). Unlike classic expert-based models, such as the Switch Transformer, experts in THOR are randomly activated for each input during training and inference. THOR models are trained using a consistency regularized loss, where experts learn not only from training data but also from other experts as teachers, such that all the experts make consistent predictions.  We validate the effectiveness of THOR on machine translation tasks. Results show that THOR models are more parameter efficient in that they significantly outperform the Transformer and MoE models across various settings. For example, in multilingual translation, THOR outperforms the Switch Transformer by 2 BLEU scores, and obtains the same BLEU score as that of a state-of-the-art MoE model that is 18 times larger. Our code is publicly available at: https://github.com/microsoft/Stochastic-Mixture-of-Experts.
ProxylessNAS: Direct Neural Architecture Search on Target Task and Hardware
Authors: Han Cai, Ligeng Zhu, Song Han

Neural architecture search (NAS) has a great impact by automatically designing effective neural network architectures. However, the prohibitive computational demand of conventional NAS algorithms (e.g. 10 4 GPU hours) makes it difficult to directly search the architectures on large-scale tasks (e.g. ImageNet). Differentiable NAS can reduce the cost of GPU hours via a continuous representation of network architecture but suffers from the high GPU memory consumption issue (grow linearly w.r.t. candidate set size). As a result, they need to utilize proxy tasks, such as training on a smaller dataset, or learning with only a few blocks, or training just for a few epochs. These architectures optimized on proxy tasks are not guaranteed to be optimal on the target task. In this paper, we present ProxylessNAS that can directly learn the architectures for large-scale target tasks and target hardware platforms. We address the high memory consumption issue of differentiable NAS and reduce the computational cost (GPU hours and GPU memory) to the same level of regular training while still allowing a large candidate set. Experiments on CIFAR-10 and ImageNet demonstrate the effectiveness of directness and specialization. On CIFAR-10, our model achieves 2.08% test error with only 5.7M parameters, better than the previous state-of-the-art architecture AmoebaNet-B, while using 6× fewer parameters. On ImageNet, our model achieves 3.1% better top-1 accuracy than MobileNetV2, while being 1.2× faster with measured GPU latency. We also apply ProxylessNAS to specialize neural architectures for hardware with direct hardware metrics (e.g. latency) and provide insights for efficient CNN architecture design.
Visual Representation Learning over Latent Domains
Authors: Lucas Deecke, Timothy Hospedales, Hakan Bilen

A fundamental shortcoming of deep neural networks is their specialization to a single task and domain. While multi-domain learning enables the learning of compact models that span multiple visual domains, these rely on the presence of domain labels, in turn requiring laborious curation of datasets. This paper proposes a less explored, but highly realistic new setting called latent domain learning: learning over data from different domains, without access to domain annotations. Experiments show that this setting is challenging for standard models and existing multi-domain approaches, calling for new customized solutions: a sparse adaptation strategy is formulated which enhances performance by accounting for latent domains in data. Our method can be paired seamlessly with existing models, and benefits conceptually related tasks, e.g. empirical fairness problems and long-tailed recognition.
Self-Supervised Graph Neural Networks for Improved Electroencephalographic Seizure Analysis
Authors: Siyi Tang, Jared Dunnmon, Khaled Kamal Saab, Xuan Zhang, Qianying Huang, Florian Dubost, Daniel Rubin, Christopher Lee-Messer

Automated seizure detection and classification from electroencephalography (EEG) can greatly improve seizure diagnosis and treatment. However, several modeling challenges remain unaddressed in prior automated seizure detection and classification studies: (1) representing non-Euclidean data structure in EEGs, (2) accurately classifying rare seizure types, and (3) lacking a quantitative interpretability approach to measure model ability to localize seizures. In this study, we address these challenges by (1) representing the spatiotemporal dependencies in EEGs using a graph neural network (GNN) and proposing two EEG graph structures that capture the electrode geometry or dynamic brain connectivity, (2) proposing a self-supervised pre-training method that predicts preprocessed signals for the next time period to further improve model performance, particularly on rare seizure types, and (3) proposing a quantitative model interpretability approach to assess a model’s ability to localize seizures within EEGs. When evaluating our approach on seizure detection and classification on a large public dataset (5,499 EEGs), we find that our GNN with self-supervised pre-training achieves 0.875 Area Under the Receiver Operating Characteristic Curve on seizure detection and 0.749 weighted F1-score on seizure classification, outperforming previous methods for both seizure detection and classification. Moreover, our self-supervised pre-training strategy significantly improves classification of rare seizure types (e.g. 47 points increase in combined tonic seizure accuracy over baselines). Furthermore, quantitative interpretability analysis shows that our GNN with self-supervised pre-training precisely localizes 25.4% focal seizures, a 21.9 point improvement over existing CNNs. Finally, by superimposing the identified seizure locations on both raw EEG signals and EEG graphs, our approach could provide clinicians with an intuitive visualization of localized seizure regions.
Large Batch Simulation for Deep Reinforcement Learning
Authors: Brennan Shacklett, Erik Wijmans, Aleksei Petrenko, Manolis Savva, Dhruv Batra, Vladlen Koltun, Kayvon Fatahalian

We accelerate deep reinforcement learning-based training in visually complex 3D environments by two orders of magnitude over prior work, realizing end-to-end training speeds of over 19,000 frames of experience per second on a single GPU and up to 72,000 frames per second on a single eight-GPU machine. The key idea of our approach is to design a 3D renderer and embodied navigation simulator around the principle of “batch simulation”: accepting and executing large batches of requests simultaneously.  Beyond exposing large amounts of work at once, batch simulation allows implementations to amortize in-memory storage of scene assets, rendering work, data loading, and synchronization costs across many simulation requests, dramatically improving the number of simulated agents per GPU and overall simulation throughput.  To balance DNN inference and training costs with faster simulation, we also build a computationally efficient policy DNN that maintains high task performance, and modify training algorithms to maintain sample efficiency when training with large mini-batches. By combining batch simulation and DNN performance optimizations, we demonstrate that PointGoal navigation agents can be trained in complex 3D environments on a single GPU in 1.5 days to 97% of the accuracy of agents trained on a prior state-of-the-art system using a 64-GPU cluster over three days.  We provide open-source reference implementations of our batch 3D renderer and simulator to facilitate incorporation of these ideas into RL systems.
Abductive Commonsense Reasoning
Authors: Chandra Bhagavatula, Ronan Le Bras, Chaitanya Malaviya, Keisuke Sakaguchi, Ari Holtzman, Hannah Rashkin, Doug Downey, Wen-tau Yih, Yejin Choi

Abductive reasoning is inference to the most plausible explanation. For example, if Jenny finds her house in a mess when she returns from work, and remembers that she left a window open, she can hypothesize that a thief broke into her house and  caused  the  mess,  as  the  most  plausible  explanation.  While  abduction has long been considered to be at the core of how people interpret and read between the lines in natural language (Hobbs et al., 1988), there has been relatively little research in support of abductive natural language inference and generation. We present the first study that investigates the viability of language-based abductive reasoning.  We introduce a challenge dataset, ART, that consists of over 20k commonsense narrative contexts and 200k explanations. Based on this dataset, we conceptualize two new tasks – (i) Abductive NLI: a multiple-choice question answering task for choosing the more likely explanation, and (ii) Abductive NLG: a conditional generation task for explaining given observations in natural language. On Abductive NLI, the best model achieves 68.9% accuracy, well below human performance of 91.4%.  On Abductive NLG, the current best language generators struggle even more, as they lack reasoning capabilities that are trivial for humans. Our analysis leads to new insights into the types of reasoning that deep pre-trained language models fail to perform—despite their strong performance on the related but  more  narrowly  defined  task  of entailment NLI—pointing  to  interesting  avenues for future research.
Adv-BNN: Improved Adversarial Defense through Robust Bayesian Neural Network
Authors: Xuanqing Liu, Yao Li, Chongruo Wu, Cho-Jui Hsieh

We present a new algorithm to train a robust neural network against adversarial attacks. 
Our algorithm is motivated by the following two ideas. First, although recent work has demonstrated that fusing randomness can improve the robustness of neural networks (Liu 2017), we noticed that adding noise blindly to all the layers is not the optimal way to incorporate randomness. 
Instead, we model randomness under the framework of Bayesian Neural Network (BNN) to formally learn the posterior distribution of models in a scalable way. Second, we formulate the mini-max problem in BNN to learn the best model distribution under adversarial attacks, leading to an adversarial-trained Bayesian neural net. Experiment results demonstrate that the proposed algorithm achieves state-of-the-art performance under strong attacks. On CIFAR-10 with VGG network, our model leads to 14% accuracy improvement compared with adversarial training (Madry 2017) and random self-ensemble (Liu, 2017) under PGD attack with 0.035 distortion, and the gap becomes even larger on a subset of ImageNet.
Benchmarks for Deep Off-Policy Evaluation
Authors: Justin Fu, Mohammad Norouzi, Ofir Nachum, George Tucker, ziyu wang, Alexander Novikov, Mengjiao Yang, Michael R Zhang, Yutian Chen, Aviral Kumar, Cosmin Paduraru, Sergey Levine, Thomas Paine

Off-policy evaluation (OPE) holds the promise of being able to leverage large, offline datasets for both evaluating and selecting complex policies for decision making. The ability to learn offline is particularly important in many real-world domains, such as in healthcare, recommender systems, or robotics, where online data collection is an expensive and potentially dangerous process. Being able to accurately evaluate and select high-performing policies without requiring online interaction could yield significant benefits in safety, time, and cost for these applications. While many OPE methods have been proposed in recent years, comparing results between papers is difficult because currently there is a lack of a comprehensive and unified benchmark, and measuring algorithmic progress has been challenging due to the lack of difficult evaluation tasks. In order to address this gap, we present a collection of policies that in conjunction with existing offline datasets can be used for benchmarking off-policy evaluation. Our tasks include a range of challenging high-dimensional continuous control problems, with wide selections of datasets and policies for performing policy selection. The goal of our benchmark is to provide a standardized measure of progress that is motivated from a set of principles designed to challenge and test the limits of existing OPE methods. We perform an evaluation of state-of-the-art algorithms and provide open-source access to our data and code to foster future research in this area.
Dataset Inference: Ownership Resolution in Machine Learning
Authors: Pratyush Maini, Mohammad Yaghini, Nicolas Papernot

With increasingly more data and computation involved in their training,  machine learning models constitute valuable intellectual property. This has spurred interest in model stealing, which is made more practical by advances in learning with partial, little, or no supervision. Existing defenses focus on inserting unique watermarks in a model's decision surface, but this is insufficient:  the watermarks are not sampled from the training distribution and thus are not always preserved during model stealing. In this paper, we make the key observation that knowledge contained in the stolen model's training set is what is common to all stolen copies. The adversary's goal, irrespective of the attack employed, is always to extract this knowledge or its by-products. This gives the original model's owner a strong advantage over the adversary: model owners have access to the original training data. We thus introduce $\textit{dataset inference}$, the process of identifying whether a suspected model copy has private knowledge from the original model's dataset, as a defense against model stealing. We develop an approach for dataset inference that combines statistical testing with the ability to estimate the distance of multiple data points to the decision boundary. Our experiments on CIFAR10, SVHN, CIFAR100 and ImageNet show that model owners can claim with confidence greater than 99% that their model (or dataset as a matter of fact) was stolen, despite only exposing 50 of the stolen model's training points. Dataset inference defends against state-of-the-art attacks even when the adversary is adaptive. Unlike prior work, it does not require retraining or overfitting the defended model.
Invariant and Equivariant Graph Networks
Authors: Haggai Maron, Heli Ben-Hamu, Nadav Shamir, Yaron Lipman

Invariant and equivariant networks have been successfully used for learning images, sets, point clouds, and graphs. A basic challenge in developing such networks is finding the maximal collection of invariant and equivariant \emph{linear} layers. Although this question is answered for the first three examples (for popular transformations, at-least), a full characterization of invariant and equivariant linear layers for graphs is not known. 

In this paper we provide a characterization of all permutation invariant and equivariant linear layers for (hyper-)graph data, and show that their dimension, in case of edge-value graph data, is $2$ and $15$, respectively. More generally, for graph data defined on $k$-tuples of nodes, the dimension is the $k$-th and $2k$-th Bell numbers. Orthogonal bases for the layers are computed, including generalization to multi-graph data. The constant number of basis elements and their characteristics allow successfully applying the networks to different size graphs. From the theoretical point of view, our results generalize and unify recent advancement in equivariant deep learning. In particular, we show that our model is capable of approximating any message passing neural network.

Applying these new linear layers in a simple deep neural network framework is shown to achieve comparable results to state-of-the-art and to have better expressivity than previous invariant and equivariant bases.
Critical Percolation as a Framework to Analyze the Training of Deep Networks
Authors: Zohar Ringel, Rodrigo Andrade de Bem

In this paper we approach two relevant deep learning topics: i) tackling of graph structured input data and ii) a better understanding and analysis of deep networks and related learning algorithms. With this in mind we focus on the topological classification of reachability in a particular subset of planar graphs (Mazes). Doing so, we are able to model the topology of data while staying in Euclidean space, thus allowing its processing with standard CNN architectures. We suggest a suitable architecture for this problem and show that it can express a perfect solution to the classification task. The shape of the cost function around this solution is also derived and, remarkably, does not depend on the size of the maze in the large maze limit. Responsible for this behavior are rare events in the dataset which strongly regulate the shape of the cost function near this global minimum. We further identify an obstacle to learning in the form of poorly performing local minima in which the network chooses to ignore some of the inputs. We further support our claims with training experiments and numerical analysis of the cost function on networks with up to $128$ layers.
DARA: Dynamics-Aware Reward Augmentation in Offline Reinforcement Learning
Authors: Jinxin Liu, Zhang Hongyin, Donglin Wang

Offline reinforcement learning algorithms promise to be applicable in settings where a fixed dataset is available and no new experience can be acquired. However, such formulation is inevitably offline-data-hungry and, in practice, collecting a large offline dataset for one specific task over one specific environment is also costly and laborious. In this paper, we thus 1) formulate the offline dynamics adaptation by using (source) offline data collected from another dynamics to relax the requirement for the extensive (target) offline data, 2) characterize the dynamics shift problem in which prior offline methods do not scale well, and 3) derive a simple dynamics-aware reward augmentation (DARA) framework from both model-free and model-based offline settings. Specifically, DARA emphasizes learning from those source transition pairs that are adaptive for the target environment and mitigates the offline dynamics shift by characterizing state-action-next-state pairs instead of the typical state-action distribution sketched by prior offline RL methods. The experimental evaluation demonstrates that DARA, by augmenting rewards in the source offline dataset, can acquire an adaptive policy for the target environment and yet significantly reduce the requirement of target offline data. With only modest amounts of target offline data, our performance consistently outperforms the prior offline RL methods in both simulated and real-world tasks.
Adaptive Posterior Learning: few-shot learning with a surprise-based memory module
Authors: Tiago Ramalho, Marta Garnelo

The ability to generalize quickly from few observations is crucial for intelligent systems. In this paper we introduce APL, an algorithm that approximates probability distributions by remembering the most surprising observations it has encountered. These past observations are recalled from an external memory module and processed by a decoder network that can combine information from different memory slots to generalize beyond direct recall. We show this algorithm can perform as well as state of the art baselines on few-shot classification benchmarks with a smaller memory footprint.  In addition, its memory compression allows it to scale to thousands of unknown labels.  Finally, we introduce a meta-learning reasoning task which is more challenging than direct classification. In this setting, APL is able to generalize with fewer than one example per class via deductive reasoning.
Convex Regularization behind Neural Reconstruction
Authors: Arda Sahiner, Morteza Mardani, Batu Ozturkler, Mert Pilanci, John M. Pauly

Neural networks have shown tremendous potential for reconstructing high-resolution images in inverse problems. The non-convex and opaque nature of neural networks, however, hinders their utility in sensitive applications such as medical imaging. To cope with this challenge, this paper advocates a convex duality framework that makes a two-layer fully-convolutional ReLU denoising network amenable to convex optimization. The convex dual network not only offers the optimum training with convex solvers, but also facilitates interpreting training and prediction. In particular, it implies training neural networks with weight decay regularization induces path sparsity while the prediction is piecewise linear filtering. A range of experiments with MNIST and fastMRI datasets confirm the efficacy of the dual network optimization problem.
Model-based reinforcement learning for biological sequence design
Authors: Christof Angermueller, David Dohan, David Belanger, Ramya Deshpande, Kevin Murphy, Lucy Colwell

The ability to design biological structures such as DNA or proteins would have considerable medical and industrial impact. Doing so presents a challenging black-box optimization problem characterized by the large-batch, low round setting due to the need for labor-intensive wet lab evaluations. In response, we propose using reinforcement learning (RL) based on proximal-policy optimization (PPO) for biological sequence design. RL provides a flexible framework for optimization generative sequence models to achieve specific criteria, such as diversity among the high-quality sequences discovered. We propose a model-based variant of PPO, DyNA-PPO, to improve sample efficiency, where the policy for a new round is trained offline using a simulator fit on functional measurements from prior rounds. To accommodate the growing number of observations across rounds, the simulator model is automatically selected at each round from a pool of diverse models of varying capacity.  On the tasks of designing DNA transcription factor binding sites, designing antimicrobial proteins, and optimizing the energy of Ising models based on protein structure, we find that DyNA-PPO performs significantly better than existing methods in settings in which modeling is feasible, while still not performing worse in situations in which a reliable model cannot be learned.