nils-herrmann/clean_scirepeval huggingface dataset:
Neural Oblivious Decision Ensembles for Deep Learning on Tabular Data
Authors: Sergei Popov, Stanislav Morozov, Artem Babenko

Nowadays, deep neural networks (DNNs) have become the main instrument for machine learning tasks within a wide range of domains, including vision, NLP, and speech. Meanwhile, in an important case of heterogenous tabular data, the advantage of DNNs over shallow counterparts remains questionable. In particular, there is no sufficient evidence that deep learning machinery allows constructing methods that outperform gradient boosting decision trees (GBDT), which are often the top choice for tabular problems. In this paper, we introduce Neural Oblivious Decision Ensembles (NODE), a new deep learning architecture, designed to work with any tabular data. In a nutshell, the proposed NODE architecture generalizes ensembles of oblivious decision trees, but benefits from both end-to-end gradient-based optimization and the power of multi-layer hierarchical representation learning. With an extensive experimental comparison to the leading GBDT packages on a large number of tabular datasets, we demonstrate the advantage of the proposed NODE architecture, which outperforms the competitors on most of the tasks. We open-source the PyTorch implementation of NODE and believe that it will become a universal framework for machine learning on tabular data.
The Boltzmann Policy Distribution: Accounting for Systematic Suboptimality in Human Models
Authors: Cassidy Laidlaw, Anca Dragan

Models of human behavior for prediction and collaboration tend to fall into two categories: ones that learn from large amounts of data via imitation learning, and ones that assume human behavior to be noisily-optimal for some reward function. The former are very useful, but only when it is possible to gather a lot of human data in the target environment and distribution. The advantage of the latter type, which includes Boltzmann rationality, is the ability to make accurate predictions in new environments without extensive data when humans are actually close to optimal. However, these models fail when humans exhibit systematic suboptimality, i.e. when their deviations from optimal behavior are not independent, but instead consistent over time. Our key insight is that systematic suboptimality can be modeled by predicting policies, which couple action choices over time, instead of trajectories. We introduce the Boltzmann policy distribution (BPD), which serves as a prior over human policies and adapts via Bayesian inference to capture systematic deviations by observing human actions during a single episode. The BPD is difficult to compute and represent because policies lie in a high-dimensional continuous space, but we leverage tools from generative and sequence modeling to enable efficient sampling and inference. We show that the BPD enables prediction of human behavior and human-AI collaboration equally as well as imitation learning-based human models while using far less data.
Learning to Make Decisions via Submodular Regularization
Authors: Ayya Alieva, Aiden Aceves, Jialin Song, Stephen Mayo, Yisong Yue, Yuxin Chen

Many sequential decision making tasks can be viewed as combinatorial optimization problems over a large number of actions. When the cost of evaluating an action is high, even a greedy algorithm, which iteratively picks the best action given the history, is prohibitive to run. In this paper, we aim to learn a greedy heuristic for sequentially selecting actions as a surrogate for invoking the expensive oracle when evaluating an action. In particular, we focus on a class of combinatorial problems that can be solved via submodular maximization (either directly on the objective function or via submodular surrogates). We introduce a data-driven optimization framework based on the submodular-norm loss, a novel loss function that encourages the resulting objective to exhibit diminishing returns. Our framework outputs a surrogate objective that is efficient to train, approximately submodular, and can be made permutation-invariant. The latter two properties allow us to prove strong approximation guarantees for the learned greedy heuristic. Furthermore, we show that our model can be easily integrated with modern deep imitation learning pipelines for sequential prediction tasks. We demonstrate the performance of our algorithm on a variety of batched and sequential optimization tasks, including set cover, active learning, and Bayesian optimization for protein engineering.
Online and stochastic optimization beyond Lipschitz continuity: A Riemannian approach
Authors: Kimon Antonakopoulos, E. Veronica Belmega, Panayotis Mertikopoulos

Motivated by applications to machine learning and imaging science, we study a class of online and stochastic optimization problems with loss functions that are not Lipschitz continuous; in particular, the loss functions encountered by the optimizer could exhibit gradient singularities or be singular themselves. Drawing on tools and techniques from Riemannian geometry, we examine a Riemann–Lipschitz (RL) continuity condition which is tailored to the singularity landscape of the problem’s loss functions. In this way, we are able to tackle cases beyond the Lipschitz framework provided by a global norm, and we derive optimal regret bounds and last iterate convergence results through the use of regularized learning methods (such as online mirror descent). These results are subsequently validated in a class of stochastic Poisson inverse problems that arise in imaging science.
On the Discrimination-Generalization Tradeoff in GANs
Authors: Pengchuan Zhang, Qiang Liu, Dengyong Zhou, Tao Xu, Xiaodong He

Generative adversarial training can be generally understood as minimizing certain moment matching loss defined by a set of discriminator functions, typically  neural networks. The discriminator set should be large enough to be able to uniquely identify the true distribution (discriminative), and also be small enough to go beyond memorizing samples (generalizable). In this paper, we show that a discriminator set is guaranteed to be discriminative whenever its linear span is dense in the set of bounded continuous functions. This is a very mild condition satisfied even by neural networks with a single neuron. Further, we develop generalization bounds between the learned distribution and true distribution under different evaluation metrics. When evaluated with neural distance, our bounds show that generalization is guaranteed as long as the discriminator set is small enough, regardless of the size of the generator or hypothesis set. When evaluated with KL divergence, our bound provides an explanation on the counter-intuitive behaviors of testing likelihood in GAN training. Our analysis sheds lights on understanding the practical performance of GANs.
Contextual Transformation Networks for Online Continual Learning
Authors: Quang Pham, Chenghao Liu, Doyen Sahoo, Steven HOI

Continual learning methods with fixed architectures rely on a single network to learn models that can perform well on all tasks.
As a result, they often only accommodate common features of those tasks but neglect each task's specific features. On the other hand, dynamic architecture methods can have a separate network for each task, but they are too expensive to train and not scalable in practice, especially in online settings.
To address this problem, we propose a novel online continual learning method named ``Contextual Transformation Networks” (CTN) to efficiently model the \emph{task-specific features} while enjoying neglectable complexity overhead compared to other fixed architecture methods. 
Moreover, inspired by the Complementary Learning Systems (CLS) theory, we propose a novel dual memory design and an objective to train CTN that can address both catastrophic forgetting and knowledge transfer simultaneously. 
Our extensive experiments show that CTN is competitive with a large scale dynamic architecture network and consistently outperforms other fixed architecture methods under the same standard backbone. Our implementation can be found at \url{https://github.com/phquang/Contextual-Transformation-Network}.
Towards Fast Adaptation of Neural Architectures with Meta Learning
Authors: Dongze Lian, Yin Zheng, Yintao Xu, Yanxiong Lu, Leyu Lin, Peilin Zhao, Junzhou Huang, Shenghua Gao

Recently, Neural Architecture Search (NAS) has been successfully applied to multiple artificial intelligence areas and shows better performance compared with hand-designed networks. However, the existing NAS methods only target a specific task. Most of them usually do well in searching an architecture for single task but are troublesome for multiple datasets or multiple tasks. Generally, the architecture for a new task is either searched from scratch, which is neither efficient nor flexible enough for practical application scenarios, or borrowed from the ones searched on other tasks, which might be not optimal. In order to tackle the transferability of NAS and conduct fast adaptation of neural architectures, we propose a novel Transferable Neural Architecture Search method based on meta-learning in this paper, which is termed as T-NAS. T-NAS learns a meta-architecture that is able to adapt to a new task quickly through a few gradient steps, which makes the transferred architecture suitable for the specific task. Extensive experiments show that T-NAS achieves state-of-the-art performance in few-shot learning and comparable performance in supervised learning but with 50x less searching cost, which demonstrates the effectiveness of our method.
Pruning Neural Networks at Initialization: Why Are We Missing the Mark?
Authors: Jonathan Frankle, Gintare Karolina Dziugaite, Daniel Roy, Michael Carbin

Recent work has explored the possibility of pruning neural networks at initialization. We assess proposals for doing so: SNIP (Lee et al., 2019), GraSP (Wang et al., 2020), SynFlow (Tanaka et al., 2020), and magnitude pruning. Although these methods surpass the trivial baseline of random pruning, they remain below the accuracy of magnitude pruning after training, and we endeavor to understand why. We show that, unlike pruning after training, randomly shuffling the weights these methods prune within each layer or sampling new initial values preserves or improves accuracy. As such, the per-weight pruning decisions made by these methods can be replaced by a per-layer choice of the fraction of weights to prune. This property suggests broader challenges with the underlying pruning heuristics, the desire to prune at initialization, or both.
The Spectral Bias of Polynomial Neural Networks
Authors: Moulik Choraria, Leello Tadesse Dadi, Grigorios Chrysos, Julien Mairal, Volkan Cevher

Polynomial neural networks (PNNs) have been recently shown to be particularly effective at image generation and face recognition, where high-frequency information is critical. Previous studies have revealed that neural networks demonstrate a $\text{\it{spectral bias}}$ towards low-frequency functions, which yields faster learning of low-frequency components during training. Inspired by such studies, we conduct a spectral analysis of the Neural Tangent Kernel (NTK) of PNNs. We find that the $\Pi$-Net family, i.e., a recently proposed parametrization of PNNs, speeds up the learning of the higher frequencies. 
We verify the theoretical bias through extensive experiments. We expect our analysis to provide novel insights into designing architectures and learning frameworks by incorporating multiplicative interactions via polynomials.
In Search of Lost Domain Generalization
Authors: Ishaan Gulrajani, David Lopez-Paz

The goal of domain generalization algorithms is to predict well on distributions different from those seen during training.
While a myriad of domain generalization algorithms exist, inconsistencies in experimental conditions---datasets, network architectures, and model selection criteria---render fair comparisons difficult.
The goal of this paper is to understand how useful domain generalization algorithms are in realistic settings.
As a first step, we realize that model selection is non-trivial for domain generalization tasks, and we argue that algorithms without a model selection criterion remain incomplete.
Next we implement DomainBed, a testbed for domain generalization including seven benchmarks, fourteen algorithms, and three model selection criteria.
When conducting extensive experiments using DomainBed we find that when carefully implemented and tuned, ERM outperforms the state-of-the-art in terms of average performance.
Furthermore, no algorithm included in DomainBed outperforms ERM by more than one point when evaluated under the same experimental conditions.
We hope that the release of DomainBed, alongside contributions from fellow researchers, will streamline reproducible and rigorous advances in domain generalization.
Auto-Transfer: Learning to Route Transferable Representations
Authors: Keerthiram Murugesan, Vijay Sadashivaiah, Ronny Luss, Karthikeyan Shanmugam, Pin-Yu Chen, Amit Dhurandhar

Knowledge transfer between heterogeneous source and target networks and tasks has received a lot of attention in recent times as large amounts of quality labeled data can be difficult to obtain in many applications. Existing approaches typically constrain the target deep neural network (DNN) feature representations to be close to the source DNNs feature representations, which can be limiting. We, in this paper, propose a novel adversarial multi-armed bandit approach that automatically learns to route source representations to appropriate target representations following which they are combined in meaningful ways to produce accurate target models. We see upwards of 5\% accuracy improvements compared with the state-of-the-art knowledge transfer methods on four benchmark (target) image datasets CUB200, Stanford Dogs, MIT67, and Stanford40 where the source dataset is ImageNet. We qualitatively analyze the goodness of our transfer scheme by showing individual examples of the important features focused on by our target network at different layers compared with the (closest) competitors. We also observe that our improvement over other methods is higher for smaller target datasets making it an effective tool for small data applications that may benefit from transfer learning.
Learning To Solve Circuit-SAT: An Unsupervised Differentiable Approach
Authors: Saeed Amizadeh, Sergiy Matusevych, Markus Weimer

Recent efforts to combine Representation Learning with Formal Methods, commonly known as the Neuro-Symbolic Methods, have given rise to a new trend of applying rich neural architectures to solve classical combinatorial optimization problems. In this paper, we propose a neural framework that can learn to solve the Circuit Satisfiability problem. Our framework is built upon two fundamental contributions: a rich embedding architecture that encodes the problem structure and an end-to-end differentiable training procedure that mimics Reinforcement Learning and trains the model directly toward solving the SAT problem. The experimental results show the superior out-of-sample generalization performance of our framework compared to the recently developed NeuroSAT method.
HexaConv
Authors: Emiel Hoogeboom, Jorn W.T. Peters, Taco S. Cohen, Max Welling

The effectiveness of Convolutional Neural Networks stems in large part from their ability to exploit the translation invariance that is inherent in many learning problems. Recently, it was shown that CNNs can exploit other invariances, such as rotation invariance, by using group convolutions instead of planar convolutions. However, for reasons of performance and ease of implementation, it has been necessary to limit the group convolution to transformations that can be applied to the filters without interpolation. Thus, for images with square pixels, only integer translations, rotations by multiples of 90 degrees, and reflections are admissible.

Whereas the square tiling provides a 4-fold rotational symmetry, a hexagonal tiling of the plane has a 6-fold rotational symmetry. In this paper we show how one can efficiently implement planar convolution and group convolution over hexagonal lattices, by re-using existing highly optimized convolution routines. We find that, due to the reduced anisotropy of hexagonal filters, planar HexaConv provides better accuracy than planar convolution with square filters, given a fixed parameter budget. Furthermore, we find that the increased degree of symmetry of the hexagonal grid increases the effectiveness of group convolutions, by allowing for more parameter sharing. We show that our method significantly outperforms conventional CNNs on the AID aerial scene classification dataset, even outperforming ImageNet pre-trained models.
Learning to Navigate in Complex Environments
Authors: Piotr Mirowski, Razvan Pascanu, Fabio Viola, Hubert Soyer, Andy Ballard, Andrea Banino, Misha Denil, Ross Goroshin, Laurent Sifre, Koray Kavukcuoglu, Dharshan Kumaran, Raia Hadsell

Learning to navigate in complex environments with dynamic elements is an important milestone in developing AI agents. In this work we formulate the navigation question as a reinforcement learning problem and show that data efficiency and task performance can be dramatically improved by relying on additional auxiliary tasks to bootstrap learning. In particular we consider jointly learning the goal-driven reinforcement learning problem with an unsupervised depth prediction task and a self-supervised loop closure classification task. Using this approach we can learn to navigate from raw sensory input in complicated 3D mazes, approaching human-level performance even under conditions where the goal location changes frequently. We provide detailed analysis of the agent behaviour, its ability to localise, and its network activity dynamics, that show that the agent implicitly learns key navigation abilities, with only sparse rewards and without direct supervision.
Robust and Scalable SDE Learning: A Functional Perspective
Authors: Scott Alexander Cameron, Tyron Luke Cameron, Arnu Pretorius, Stephen J. Roberts

Stochastic differential equations provide a rich class of flexible generative
models, capable of describing a wide range of spatio-temporal processes. A host
of recent work looks to learn data-representing SDEs, using neural networks and
other flexible function approximators. Despite these advances, learning remains
computationally expensive due to the sequential nature of SDE integrators. In
this work, we propose an importance-sampling estimator for probabilities of
observations of SDEs for the purposes of learning. Crucially, the approach we
suggest does not rely on such integrators. The proposed method produces
lower-variance gradient estimates compared to algorithms based on SDE
integrators and has the added advantage of being embarrassingly parallelizable.
This facilitates the effective use of large-scale parallel hardware for massive
decreases in computation time.
Learning deep representations by mutual information estimation and maximization
Authors: R Devon Hjelm, Alex Fedorov, Samuel Lavoie-Marchildon, Karan Grewal, Phil Bachman, Adam Trischler, Yoshua Bengio

This work investigates unsupervised learning of representations by maximizing mutual information between an input and the output of a deep neural network encoder. Importantly, we show that structure matters: incorporating knowledge about locality in the input into the objective can significantly improve a representation's suitability for downstream tasks. We further control characteristics of the representation by matching to a prior distribution adversarially. Our method, which we call Deep InfoMax (DIM), outperforms a number of popular unsupervised learning methods and compares favorably with fully-supervised learning on several classification tasks in with some standard architectures. DIM opens new avenues for unsupervised learning of representations and is an important step towards flexible formulations of representation learning objectives for specific end-goals.
PixelCNN++: Improving the PixelCNN with Discretized Logistic Mixture Likelihood and Other Modifications
Authors: Tim Salimans, Andrej Karpathy, Xi Chen, Diederik P. Kingma

PixelCNNs are a recently proposed class of powerful generative models with tractable likelihood. Here we discuss our implementation of PixelCNNs which we make available at <a href="https://github.com/openai/pixel-cnn">https://github.com/openai/pixel-cnn</a>. Our implementation contains a number of modifications to the original model that both simplify its structure and improve its performance. 1) We use a discretized logistic mixture likelihood on the pixels, rather than a 256-way softmax, which we find to speed up training. 2) We condition on whole pixels, rather than R/G/B sub-pixels, simplifying the model structure. 3) We use downsampling to efficiently capture structure at multiple resolutions. 4) We introduce additional short-cut connections to further speed up optimization. 5) We regularize the model using dropout. Finally, we present state-of-the-art log likelihood results on CIFAR-10 to demonstrate the usefulness of these modifications.
Scaling the Convex Barrier with Active Sets
Authors: Alessandro De Palma, Harkirat Behl, Rudy R Bunel, Philip Torr, M. Pawan Kumar

Tight and efficient neural network bounding is of critical importance for the scaling of neural network verification systems. A number of efficient specialised dual solvers for neural network bounds have been presented recently, but they are often too loose to verify more challenging properties. This lack of tightness is linked to the weakness of the employed relaxation, which is usually a linear program of size linear in the number of neurons. While a tighter linear relaxation for piecewise linear activations exists, it comes at the cost of exponentially many constraints and thus currently lacks an efficient customised solver. We alleviate this deficiency via a novel dual algorithm that realises the full potential of the new relaxation by operating on a small active set of dual variables. Our method recovers the strengths of the new relaxation in the dual space: tightness and a linear separation oracle. At the same time, it shares the benefits of previous dual approaches for weaker relaxations: massive parallelism, GPU implementation, low cost per iteration and valid bounds at any time. As a consequence, we obtain better bounds than off-the-shelf solvers in only a fraction of their running time and recover the speed-accuracy trade-offs of looser dual solvers if the computational budget is small. We demonstrate that this results in significant formal verification speed-ups.
Opportunistic Learning: Budgeted Cost-Sensitive Learning from Data Streams
Authors: Mohammad Kachuee, Orpaz Goldstein, Kimmo Kärkkäinen, Sajad Darabi, Majid Sarrafzadeh

In many real-world learning scenarios, features are only acquirable at a cost constrained under a budget. In this paper, we propose a novel approach for cost-sensitive feature acquisition at the prediction-time. The suggested method acquires features incrementally based on a context-aware feature-value function. We formulate the problem in the reinforcement learning paradigm, and introduce a reward function based on the utility of each feature. Specifically, MC dropout sampling is used to measure expected variations of the model uncertainty which is used as a feature-value function. Furthermore, we suggest sharing representations between the class predictor and value function estimator networks. The suggested approach is completely online and is readily applicable to stream learning setups. The solution is evaluated on three different datasets including the well-known MNIST dataset as a benchmark as well as two cost-sensitive datasets: Yahoo Learning to Rank and a dataset in the medical domain for diabetes classification. According to the results, the proposed method is able to efficiently acquire features and make accurate predictions.