huashen218/convxai-cia-dataset huggingface dataset:
Global optimality of softmax policy gradient with single hidden layer neural networks in the mean-field regime
Keywords: policy gradient, entropy regularization, mean-field dynamics, neural networks

We study the problem of policy optimization for infinite-horizon discounted Markov Decision Processes with softmax policy and nonlinear function approximation trained with policy gradient algorithms. We concentrate on the training dynamics in the mean-field regime, modeling e.g. the behavior of wide single hidden layer neural networks, when exploration is encouraged through entropy regularization. The dynamics of these models is established as a Wasserstein gradient flow of distributions in parameter space.  We further prove global optimality of the fixed points of this dynamics  under mild conditions on their initialization.
The Deep Bootstrap Framework: Good Online Learners are Good Offline Generalizers
Keywords: generalization, optimization, online learning, understanding deep learning, empirical investigation

We propose a new framework for reasoning about generalization in deep learning. 
        The core idea is to couple the Real World, where optimizers take stochastic gradient steps on the empirical loss, to an Ideal World, where optimizers take steps on the population loss. This leads to an alternate decomposition of test error into: (1) the Ideal World test error plus (2) the gap between the two worlds. If the gap (2) is universally small, this reduces the problem of generalization in offline learning to the problem of optimization in online learning.
        We then give empirical evidence that this gap between worlds can be small in realistic deep learning settings, in particular supervised image classification. For example, CNNs generalize better than MLPs on image distributions in the Real World, but this is "because" they optimize faster on the population loss in the Ideal World. This suggests our framework is a useful tool for understanding generalization in deep learning, and lays the foundation for future research in this direction.
A Better Alternative to Error Feedback for Communication-Efficient Distributed Learning
Keywords: distributed optimization, communication efficiency

Modern large-scale machine learning applications require stochastic optimization algorithms to be implemented on distributed computing systems. A key bottleneck of such systems is the communication overhead for exchanging information across the workers, such as stochastic gradients. Among the many techniques proposed to remedy this issue, one of the most successful is the framework of compressed communication with error feedback (EF). EF remains the only known technique that can deal with the error induced by contractive compressors which are not unbiased, such as Top-K or PowerSGD.  In this paper, we propose a new and theoretically and practically better alternative to EF for dealing with contractive compressors. In particular, we propose a construction which can transform any contractive compressor into an induced unbiased compressor. Following this transformation, existing methods able to work with unbiased compressors can be applied. We show that our approach leads to vast improvements over EF, including reduced memory requirements, better communication complexity guarantees and fewer assumptions. We further extend our results to federated learning with partial participation following an arbitrary distribution over the nodes and demonstrate the benefits thereof. We perform several numerical experiments which validate our theoretical findings.
DrNAS: Dirichlet Neural Architecture Search

This paper proposes a novel differentiable architecture search method by formulating it into a distribution learning problem. We treat the continuously relaxed architecture mixing weight as random variables, modeled by Dirichlet distribution. With recently developed pathwise derivatives, the Dirichlet parameters can be easily optimized with gradient-based optimizer in an end-to-end manner. This formulation improves the generalization ability and induces stochasticity that naturally encourages exploration in the search space. Furthermore, to alleviate the large memory consumption of differentiable NAS, we propose a simple yet effective progressive learning scheme that enables searching directly on large-scale tasks, eliminating the gap between search and evaluation phases. Extensive experiments demonstrate the effectiveness of our method. Specifically, we obtain a test error of 2.46\% for CIFAR-10, 23.7\% for ImageNet under the mobile setting. On NAS-Bench-201, we also achieve state-of-the-art results on all three datasets and provide insights for the effective design of neural architecture search algorithms.
Offline Model-Based Optimization via Normalized Maximum Likelihood Estimation
Keywords: model-based optimization, normalized maximum likelihood

In this work we consider data-driven optimization problems where one must maximize a function given only queries at a fixed set of points. This problem setting emerges in many domains where function evaluation is a complex and expensive process, such as in the design of materials, vehicles, or neural network architectures. Because the available data typically only covers a small manifold of the possible space of inputs, a principal challenge is to be able to construct algorithms that can reason about uncertainty and out-of-distribution values, since a naive optimizer can easily exploit an estimated model to return adversarial inputs. We propose to tackle the MBO problem by leveraging the normalized maximum-likelihood (NML) estimator, which provides a principled approach to handling uncertainty and out-of-distribution inputs. While in the standard formulation NML is intractable, we propose a tractable approximation that allows us to scale our method to high-capacity neural network models. We demonstrate that our method can effectively optimize high-dimensional design problems in a variety of disciplines such as chemistry, biology, and materials engineering.
Viewmaker Networks: Learning Views for Unsupervised Representation Learning
Keywords: unsupervised learning, self-supervised, representation learning, contrastive learning, views, data augmentation

Many recent methods for unsupervised representation learning train models to be invariant to different "views," or distorted versions of an input. However, designing these views requires considerable trial and error by human experts, hindering widespread adoption of unsupervised representation learning methods across domains and modalities. To address this, we propose viewmaker networks: generative models that learn to produce useful views from a given input. Viewmakers are stochastic bounded adversaries: they produce views by generating and then adding an ℓp-bounded perturbation to the input, and are trained adversarially with respect to the main encoder network. Remarkably, when pretraining on CIFAR-10, our learned views enable comparable transfer accuracy to the well-tuned SimCLR augmentations---despite not including transformations like cropping or color jitter. Furthermore, our learned views significantly outperform baseline augmentations on speech recordings (+9 points on average) and wearable sensor data (+17 points on average). Viewmaker views can also be combined with handcrafted views: they improve robustness to common image corruptions and can increase transfer performance in cases where handcrafted views are less explored. These results suggest that viewmakers may provide a path towards more general representation learning algorithms---reducing the domain expertise and effort needed to pretrain on a much wider set of domains. Code is available at https://github.com/alextamkin/viewmaker.
Robust Pruning at Initialization
Keywords: Pruning, Initialization, Compression

Overparameterized Neural Networks (NN) display state-of-the-art performance. However, there is a growing need for smaller, energy-efficient, neural networks to be able to use machine learning applications on devices with limited computational resources. A popular approach consists of using pruning techniques. While these techniques have traditionally focused on pruning pre-trained NN (LeCun et al.,1990; Hassibi et al., 1993), recent work by Lee et al. (2018) has shown promising results when pruning at initialization. However, for Deep NNs, such procedures remain unsatisfactory as the resulting pruned networks can be difficult to train and, for instance, they do not prevent one layer from being fully pruned. In this paper, we provide a comprehensive theoretical analysis of Magnitude and Gradient based pruning at initialization and training of sparse architectures.  This allows us to propose novel principled approaches which we validate experimentally on a variety of NN architectures.
Single-Photon Image Classification
Keywords: quantum mechanics, image classification, quantum machine learning, theoretical limits

Quantum Computing based Machine Learning mainly focuses on quantum computing hardware that is experimentally challenging to realize due to requiring quantum gates that operate at very low temperature. We demonstrate the existence of a "quantum computing toy model" that illustrates key aspects of quantum information processing while being experimentally accessible with room temperature optics. Pondering the question of the theoretical classification accuracy performance limit for MNIST (respectively "Fashion-MNIST") classifiers, subject to the constraint that a decision has to be made after detection of the very first photon that passed through an image-filter, we show that a machine learning system that is permitted to use quantum interference on the photon's state can substantially outperform any machine learning system that can not.  Specifically, we prove that a "classical" MNIST (respectively "Fashion-MNIST") classifier cannot achieve an accuracy of better than 21.28% (respectively 18.28% for "Fashion-MNIST") if it must make a decision after seeing a single photon falling on one of the 28×28 image pixels of a detector array.  We further demonstrate that a classifier that is permitted to employ quantum interference by optically transforming the photon state prior to detection can achieve a classification accuracy of at least 41.27% for MNIST (respectively 36.14% for "Fashion-MNIST"). We show in detail how to train the corresponding quantum state transformation with TensorFlow and also explain how this example can serve as a teaching tool for the measurement process in quantum mechanics.
Can a Fruit Fly Learn Word Embeddings?
Keywords: neurobiology, neuroscience, fruit fly, locality sensitive hashing, word embedding, sparse representations

The mushroom body of the fruit fly brain is one of the best studied systems in neuroscience. At its core it consists of a population of Kenyon cells, which receive inputs from multiple sensory modalities. These cells are inhibited by the anterior paired lateral neuron, thus creating a sparse high dimensional representation of the inputs. In this work we study a mathematical formalization of this network motif and apply it to learning the correlational structure between words and their context in a corpus of unstructured text, a common natural language processing (NLP) task. We show that this network can learn semantic representations of words and can generate both static and context-dependent word embeddings. Unlike conventional methods (e.g., BERT, GloVe) that use dense representations for word embedding, our algorithm encodes semantic meaning of words and their context in the form of sparse binary hash codes. The quality of the learned representations is evaluated on word similarity analysis, word-sense disambiguation, and document classification. It is shown that not only can the fruit fly network motif achieve performance comparable to existing methods in NLP, but, additionally, it uses only a fraction of the computational resources (shorter training time and smaller memory footprint).
A Wigner-Eckart Theorem for Group Equivariant Convolution Kernels
Keywords: Group Equivariant Convolution, Steerable Kernel, Quantum Mechanics, Wigner-Eckart Theorem, Representation Theory, Harmonic Analysis, Peter-Weyl Theorem

Group equivariant convolutional networks (GCNNs) endow classical convolutional networks with additional symmetry priors, which can lead to a considerably improved performance. Recent advances in the theoretical description of GCNNs revealed that such models can generally be understood as performing convolutions with G-steerable kernels, that is, kernels that satisfy an equivariance constraint themselves. While the G-steerability constraint has been derived, it has to date only been solved for specific use cases - a general characterization of G-steerable kernel spaces is still missing. This work provides such a characterization for the practically relevant case of G being any compact group. Our investigation is motivated by a striking analogy between the constraints underlying steerable kernels on the one hand and spherical tensor operators from quantum mechanics on the other hand. By generalizing the famous Wigner-Eckart theorem for spherical tensor operators, we prove that steerable kernel spaces are fully understood and parameterized in terms of 1) generalized reduced matrix elements, 2) Clebsch-Gordan coefficients, and 3) harmonic basis functions on homogeneous spaces.
Non-asymptotic Confidence Intervals of Off-policy Evaluation:  Primal and Dual Bounds
Keywords: Non-asymptotic Confidence Intervals, Off Policy Evaluation, Reinforcement Learnings

Off-policy evaluation (OPE) is the task of estimating the expected reward of a given policy based on offline data previously collected under different policies. Therefore, OPE is a key step in applying reinforcement learning to real-world domains such as medical treatment, where interactive data collection is expensive or even unsafe. As the observed data tends to be noisy and limited, it is essential to provide rigorous  uncertainty quantification, not just a point estimation, when applying OPE to make high stakes decisions. This work considers the problem of constructing non-asymptotic confidence intervals in infinite-horizon  off-policy evaluation, which remains a challenging open question. We develop a practical algorithm through a primal-dual optimization-based approach, which leverages the kernel Bellman loss (KBL) of Feng et al. 2019 and a new  martingale concentration inequality of KBL applicable to time-dependent data with unknown mixing conditions. Our algorithm makes  minimum assumptions on the data and the function class of the Q-function,  and works for the behavior-agnostic settings where the data is collected under a mix of arbitrary unknown behavior policies.  We present empirical results that clearly demonstrate the advantages of our approach over existing methods.
Model Patching: Closing the Subgroup Performance Gap with Data Augmentation
Keywords: Robust Machine Learning, Data Augmentation, Consistency Training, Invariant Representations

Classifiers in machine learning are often brittle when deployed. Particularly concerning are models with inconsistent performance on specific subgroups of a class, e.g., exhibiting disparities in skin cancer classification in the presence or absence of a spurious bandage. To mitigate these performance differences, we introduce model patching, a two-stage framework for improving robustness that encourages the model to be invariant to subgroup differences, and focus on class information shared by subgroups. Model patching first models subgroup features within a class and learns semantic transformations between them, and then trains a classifier with data augmentations that deliberately manipulate subgroup features. We instantiate model patching with CAMEL, which (1) uses a CycleGAN to learn the intra-class, inter-subgroup augmentations, and (2) balances subgroup performance using a theoretically-motivated subgroup consistency regularizer, accompanied by a new robust objective. We demonstrate CAMEL’s effectiveness on 3 benchmark datasets, with reductions in robust error of up to 33% relative to the best baseline. Lastly, CAMEL successfully patches a model that fails due to spurious features on a real-world skin cancer dataset.
SOLAR: Sparse Orthogonal Learned and Random Embeddings
Keywords: Sparse Embedding, Inverted Index, Learning to Hash, Embedding Models

Dense embedding models are commonly deployed in commercial search engines, wherein all the document vectors are pre-computed, and near-neighbor search (NNS) is performed with the query vector to find relevant documents. However, the bottleneck of indexing a large number of dense vectors and performing an NNS hurts the query time and accuracy of these models. In this paper, we argue that high-dimensional and ultra-sparse embedding is a significantly superior alternative to dense low-dimensional embedding for both query efficiency and accuracy. Extreme sparsity eliminates the need for NNS by replacing them with simple lookups, while its high dimensionality ensures that the embeddings are informative even when sparse. However, learning extremely high dimensional embeddings leads to blow up in the model size. To make the training feasible, we propose a partitioning algorithm that learns such high dimensional embeddings across multiple GPUs without any communication. This is facilitated by our novel asymmetric mixture of Sparse, Orthogonal, Learned and Random (SOLAR) Embeddings. The label vectors are random, sparse, and near-orthogonal by design, while the query vectors are learned and sparse. We theoretically prove that our way of one-sided learning is equivalent to learning both query and label embeddings. With these unique properties, we can successfully train 500K dimensional SOLAR embeddings for the tasks of searching through 1.6M books and multi-label classification on the three largest public datasets. We achieve superior precision and recall compared to the respective state-of-the-art baselines for each task with up to 10 times faster speed.
Neural representation and generation for RNA secondary structures
Keywords: Graph neural network, Deep generative modeling, Machine learning, Drug discovery, RNA structure, RNA structure embedding, RNA-protein interaction prediction

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex biological structures spurs dedicated graph-based deep generative modeling techniques, which represents a key but underappreciated aspect of computational drug discovery. In this work, we investigate the principles behind representing and generating different RNA structural modalities, and propose a flexible framework to jointly embed and generate these molecular structures along with their sequence in a meaningful latent space. Equipped with a deep understanding of RNA molecular structures, our most sophisticated encoding and decoding methods operate on the molecular graph as well as the junction tree hierarchy, integrating strong inductive bias about RNA structural regularity and folding mechanism such that high structural validity, stability and diversity of generated RNAs are achieved. Also, we seek to adequately organize the latent space of RNA molecular embeddings with regard to the interaction with proteins, and targeted optimization is used to navigate in this latent space to search for desired novel RNA molecules.
A Mathematical Exploration of Why Language Models Help Solve Downstream Tasks
Keywords: language models, theory, representation learning, self-supervised learning, unsupervised learning, transfer learning, natural language processing

Autoregressive language models, pretrained using large text corpora to do well on next word prediction, have been successful at solving many downstream tasks, even with zero-shot usage. However, there is little theoretical understanding of this success. This paper initiates a mathematical study of this phenomenon for the downstream task of text classification by considering the following questions: (1) What is the intuitive connection between the pretraining task of next word prediction and text classification? (2) How can we mathematically formalize this connection and quantify the benefit of language modeling? For (1), we hypothesize, and verify empirically, that classification tasks of interest can be reformulated as sentence completion tasks, thus making language modeling a meaningful pretraining task. With a mathematical formalization of this hypothesis, we make progress towards (2) and show that language models that are ϵ-optimal in cross-entropy (log-perplexity) learn features that can linearly solve such classification tasks with O(ϵ) error, thus demonstrating that doing well on language modeling can be beneficial for downstream tasks. We experimentally verify various assumptions and theoretical findings, and also use insights from the analysis to design a new objective function that performs well on some classification tasks.
Noise or Signal: The Role of Image Backgrounds in Object Recognition
Keywords: Backgrounds, Model Biases, Robustness, Computer Vision

We assess the tendency of state-of-the-art object recognition models to depend on signals from image backgrounds. We create a toolkit for disentangling foreground and background signal on ImageNet images, and find that (a) models can achieve non-trivial accuracy by relying on the background alone, (b) models often misclassify images even in the presence of correctly classified foregrounds--up to 88% of the time with adversarially chosen backgrounds, and (c) more accurate models tend to depend on backgrounds less. Our analysis of backgrounds brings us closer to understanding which correlations machine learning models use, and how they determine models' out of distribution performance.
Does enhanced shape bias improve neural network robustness to common corruptions?
Keywords: neural network robustness, shape bias, corruptions, distribution shift

Convolutional neural networks (CNNs) learn to extract representations of complex features, such as object shapes and textures to solve image recognition tasks. Recent work indicates that CNNs trained on ImageNet are biased towards features that encode textures and that these alone are sufficient to generalize to unseen test data from the same distribution as the training data but often fail to generalize to out-of-distribution data. It has been shown that augmenting the training data with different image styles decreases this texture bias in favor of increased shape bias while at the same time improving robustness to common corruptions, such as noise and blur. Commonly, this is interpreted as shape bias increasing corruption robustness. However, this relationship is only hypothesized. We perform a systematic study of different ways of composing inputs based on natural images, explicit edge information, and stylization. While stylization is essential for achieving high corruption robustness, we do not find a clear correlation between shape bias and robustness. We conclude that the data augmentation caused by style-variation  accounts for the improved corruption robustness and increased shape bias is only a byproduct.