huashen218/convxai-cia-dataset huggingface dataset:
Restricting the Flow: Information Bottlenecks for Attribution
Keywords: Attribution, Informational Bottleneck, Interpretable Machine Learning, Explainable AI
TL;DR: We apply the informational bottleneck concept to attribution.

Attribution methods provide insights into the decision-making of machine learning models like artificial neural networks. For a given input sample, they assign a relevance score to each individual input variable, such as the pixels of an image. In this work, we adopt the information bottleneck concept for attribution. By adding noise to intermediate feature maps, we restrict the flow of information and can quantify (in bits) how much information image regions provide. We compare our method against ten baselines using three different metrics on VGG-16 and ResNet-50, and find that our methods outperform all baselines in five out of six settings. The method’s information-theoretic foundation provides an absolute frame of reference for attribution values (bits) and a guarantee that regions scored close to zero are not necessary for the network's decision.
Intrinsically Motivated Discovery of Diverse Patterns in Self-Organizing Systems
Keywords: deep learning, unsupervised Learning, self-organization, game-of-life
TL;DR: We study how an unsupervised exploration and feature learning approach addresses efficiently a new problem: automatic discovery of diverse self-organized patterns in high-dim complex systems such as the game of life.

In many complex dynamical systems, artificial or natural, one can observe self-organization of patterns emerging from local rules. Cellular automata, like the Game of Life (GOL), have been widely used as abstract models enabling the study of various aspects of self-organization and morphogenesis, such as the emergence of spatially localized patterns. However, findings of self-organized patterns in such models have so far relied on manual tuning of parameters and initial states, and on the human eye to identify interesting patterns. In this paper, we formulate the problem of automated discovery of diverse self-organized patterns in such high-dimensional complex dynamical systems, as well as a framework for experimentation and evaluation. Using a continuous GOL as a testbed, we show that recent intrinsically-motivated machine learning algorithms (POP-IMGEPs), initially developed for learning of inverse models in robotics, can be transposed and used in this novel application area. These algorithms combine intrinsically-motivated goal exploration and unsupervised learning of goal space representations. Goal space representations describe the interesting features of patterns for which diverse variations should be discovered. In particular, we compare various approaches to define and learn goal space representations from the perspective of discovering diverse spatially localized patterns. Moreover, we introduce an extension of a state-of-the-art POP-IMGEP algorithm which incrementally learns a goal representation using a deep auto-encoder, and the use of CPPN primitives for generating initialization parameters. We show that it is more efficient than several baselines and equally efficient as a system pre-trained on a hand-made database of patterns identified by human experts.
Causal Discovery with Reinforcement Learning
Keywords: causal discovery, structure learning, reinforcement learning, directed acyclic graph
TL;DR: We apply reinforcement learning to score-based causal discovery and achieve promising results on both synthetic and real datasets

Discovering causal structure among a set of variables is a fundamental problem in many empirical sciences. Traditional score-based casual discovery methods rely on various local heuristics to search for a Directed Acyclic Graph (DAG) according to a predefined score function. While these methods, e.g., greedy equivalence search, may have attractive results with infinite samples and certain model assumptions, they are less satisfactory in practice due to finite data and possible violation of assumptions. Motivated by recent advances in neural combinatorial optimization, we propose to use Reinforcement Learning (RL) to search for the DAG with the best scoring. Our encoder-decoder model takes observable data as input and generates graph adjacency matrices that are used to compute rewards. The reward incorporates both the predefined score function and two penalty terms for enforcing acyclicity. In contrast with typical RL applications where the goal is to learn a policy, we use RL as a search strategy and our final output would be the graph, among all graphs generated during training, that achieves the best reward. We conduct experiments on both synthetic and real datasets, and show that the proposed approach not only has an improved search ability but also allows for a flexible score function under the acyclicity constraint.
Rotation-invariant clustering of neuronal responses in primary visual cortex
Keywords: computational neuroscience, neural system identification, functional cell types, deep learning, rotational equivariance
TL;DR: We classify mouse V1 neurons into putative functional cell types based on their representations in a CNN predicting neural responses

Similar to a convolutional neural network (CNN), the mammalian retina encodes visual information into several dozen nonlinear feature maps, each formed by one ganglion cell type that tiles the visual space in an approximately shift-equivariant manner. Whether such organization into distinct cell types is maintained at the level of cortical image processing is an open question. Predictive models building upon convolutional features have been shown to provide state-of-the-art performance, and have recently been extended to include rotation equivariance in order to account for the orientation selectivity of V1 neurons. However, generally no direct correspondence between CNN feature maps and groups of individual neurons emerges in these models, thus rendering it an open question whether V1 neurons form distinct functional clusters. Here we build upon the rotation-equivariant representation of a CNN-based V1 model and propose a methodology for clustering the representations of neurons in this model to find functional cell types independent of preferred orientations of the neurons. We apply this method to a dataset of 6000 neurons and visualize the preferred stimuli of the resulting clusters. Our results highlight the range of non-linear computations in mouse V1.
Reformer: The Efficient Transformer
Keywords: attention, locality sensitive hashing, reversible layers
TL;DR: Efficient Transformer with locality-sensitive hashing and reversible layers

Large Transformer models routinely achieve state-of-the-art results on
        a number of tasks but training these models can be prohibitively costly,
        especially on long sequences. We introduce two techniques to improve
        the efficiency of Transformers. For one, we replace dot-product attention
        by one that uses locality-sensitive hashing, changing its complexity
        from O(L2) to O(Llog⁡L), where L is the length of the sequence.
        Furthermore, we use reversible residual layers instead of the standard
        residuals, which allows storing activations only once in the training
        process instead of N times, where N is the number of layers.
        The resulting model, the Reformer, performs on par with Transformer models
        while being much more memory-efficient and much faster on long sequences.
Target-Embedding Autoencoders for Supervised Representation Learning
Keywords: autoencoders, supervised learning, representation learning, target-embedding, label-embedding

Autoencoder-based learning has emerged as a staple for disciplining representations in unsupervised and semi-supervised settings. This paper analyzes a framework for improving generalization in a purely supervised setting, where the target space is high-dimensional. We motivate and formalize the general framework of target-embedding autoencoders (TEA) for supervised prediction, learning intermediate latent representations jointly optimized to be both predictable from features as well as predictive of targets---encoding the prior that variations in targets are driven by a compact set of underlying factors. As our theoretical contribution, we provide a guarantee of generalization for linear TEAs by demonstrating uniform stability, interpreting the benefit of the auxiliary reconstruction task as a form of regularization. As our empirical contribution, we extend validation of this approach beyond existing static classification applications to multivariate sequence forecasting, verifying their advantage on both linear and nonlinear recurrent architectures---thereby underscoring the further generality of this framework beyond feedforward instantiations.
Watch the Unobserved: A Simple Approach to Parallelizing Monte Carlo Tree Search
Keywords: parallel Monte Carlo Tree Search (MCTS), Upper Confidence bound for Trees (UCT), Reinforcement Learning (RL)
TL;DR: We developed an effective parallel UCT algorithm that achieves linear speedup and suffers negligible performance loss.

Monte Carlo Tree Search (MCTS) algorithms have achieved great success on many challenging benchmarks (e.g., Computer Go). However, they generally require a large number of rollouts, making their applications costly. Furthermore, it is also extremely challenging to parallelize MCTS due to its inherent sequential nature: each rollout heavily relies on the statistics (e.g., node visitation counts) estimated from previous simulations to achieve an effective exploration-exploitation tradeoff. In spite of these difficulties, we develop an algorithm, WU-UCT, to effectively parallelize MCTS, which achieves linear speedup and exhibits only limited performance loss with an increasing number of workers. The key idea in WU-UCT is a set of statistics that we introduce to track the number of on-going yet incomplete simulation queries (named as unobserved samples). These statistics are used to modify the UCT tree policy in the selection steps in a principled manner to retain effective exploration-exploitation tradeoff when we parallelize the most time-consuming expansion and simulation steps. Experiments on a proprietary benchmark and the Atari Game benchmark demonstrate the linear speedup and the superior performance of WU-UCT comparing to existing techniques.
RNA Secondary Structure Prediction By Learning Unrolled Algorithms
Keywords: RNA secondary structure prediction, learning algorithm, deep architecture design, computational biology
TL;DR: A DL model for RNA secondary structure prediction, which uses an unrolled algorithm in the architecture to enforce constraints.

In this paper, we propose an end-to-end deep learning model, called E2Efold, for RNA secondary structure prediction which can effectively take into account the inherent constraints in the problem. The key idea of E2Efold is to directly predict the RNA base-pairing matrix, and use an unrolled algorithm for constrained programming as the template for deep architectures to enforce constraints. With comprehensive experiments on benchmark datasets, we demonstrate the superior performance of E2Efold: it predicts significantly better structures compared to previous SOTA (especially for pseudoknotted structures), while being as efficient as the fastest algorithms in terms of inference time.
Learning to Balance: Bayesian Meta-Learning for Imbalanced and Out-of-distribution Tasks
Keywords: meta-learning, few-shot learning, Bayesian neural network, variational inference, learning to learn, imbalanced and out-of-distribution tasks for few-shot learning
TL;DR: A novel meta-learning model that adaptively balances the effect of the meta-learning and task-specific learning, and also class-specific learning within each task.

While tasks could come with varying the number of instances and classes in realistic settings, the existing meta-learning approaches for few-shot classification assume that number of instances per task and class is fixed. Due to such restriction, they learn to equally utilize the meta-knowledge across all the tasks, even when the number of instances per task and class largely varies. Moreover, they do not consider distributional difference in unseen tasks, on which the meta-knowledge may have less usefulness depending on the task relatedness. To overcome these limitations, we propose a novel meta-learning model that adaptively balances the effect of the meta-learning and task-specific learning within each task. Through the learning of the balancing variables, we can decide whether to obtain a solution by relying on the meta-knowledge or task-specific learning. We formulate this objective into a Bayesian inference framework and tackle it using variational inference. We validate our Bayesian Task-Adaptive Meta-Learning (Bayesian TAML) on two realistic task- and class-imbalanced datasets, on which it significantly outperforms existing meta-learning approaches. Further ablation study confirms the effectiveness of each balancing component and the Bayesian learning framework.
Fast Task Inference with Variational Intrinsic Successor Features
Keywords: Reinforcement Learning, Variational Intrinsic Control, Successor Features
TL;DR: We introduce Variational Intrinsic Successor FeatuRes (VISR), a novel algorithm which learns controllable features that can be leveraged to provide fast task inference through the successor features framework.

It has been established that diverse behaviors spanning the controllable subspace of a Markov decision process can be trained by rewarding a policy for being distinguishable from other policies. However, one limitation of this formulation is the difficulty to generalize beyond the finite set of behaviors being explicitly learned, as may be needed in subsequent tasks. Successor features provide an appealing solution to this generalization problem, but require defining the reward function as linear in some grounded feature space. In this paper, we show that these two techniques can be combined, and that each method solves the other's primary limitation. To do so we introduce Variational Intrinsic Successor FeatuRes (VISR), a novel algorithm which learns controllable features that can be leveraged to provide enhanced generalization and fast task inference through the successor features framework. We empirically validate VISR on the full Atari suite, in a novel setup wherein the rewards are only exposed briefly after a long unsupervised phase. Achieving human-level performance on 12 games and beating all baselines, we believe VISR represents a step towards agents that rapidly learn from limited feedback.
Implementation Matters in Deep RL: A Case Study on PPO and TRPO
Keywords: deep policy gradient methods, deep reinforcement learning, trpo, ppo

We study the roots of algorithmic progress in deep policy gradient algorithms through a case study on two popular algorithms: Proximal Policy Optimization (PPO) and Trust Region Policy Optimization (TRPO). Specifically, we investigate the consequences of "code-level optimizations:" algorithm augmentations found only in implementations or described as auxiliary details to the core algorithm. Seemingly of secondary importance, such optimizations turn out to have a major impact on agent behavior. Our results show that they (a) are responsible for most of PPO's gain in cumulative reward over TRPO, and (b) fundamentally change how RL methods function. These insights show the difficulty, and importance, of attributing performance gains in deep reinforcement learning.
A Closer Look at Deep Policy Gradients
Keywords: deep policy gradient methods, deep reinforcement learning, trpo, ppo

We study how the behavior of deep policy gradient algorithms reflects the conceptual framework motivating their development. To this end, we propose a fine-grained analysis of state-of-the-art methods based on key elements of this framework: gradient estimation, value prediction, and optimization landscapes. Our results show that the behavior of deep policy gradient algorithms often deviates from what their motivating framework would predict: surrogate rewards do not match the true reward landscape, learned value estimators fail to fit the true value function, and gradient estimates poorly correlate with the "true" gradient. The mismatch between predicted and empirical behavior we uncover highlights our poor understanding of current methods, and indicates the need to move beyond current benchmark-centric evaluation methods.
Understanding and Robustifying Differentiable Architecture Search
Keywords: Neural Architecture Search, AutoML, AutoDL, Deep Learning, Computer Vision
TL;DR: We study the failure modes of DARTS (Differentiable Architecture Search) by looking at the eigenvalues of the Hessian of validation loss w.r.t. the architecture and propose robustifications based on our analysis.

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem.  However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the  architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice.  Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.
Deep Batch Active Learning by Diverse, Uncertain Gradient Lower Bounds
Keywords: deep learning, active learning, batch active learning
TL;DR: We introduce a new batch active learning algorithm that's robust to model architecture, batch size, and dataset.

We design a new algorithm for batch active learning with deep neural network models. Our algorithm, Batch Active learning by Diverse Gradient Embeddings (BADGE), samples groups of points that are disparate and high-magnitude when represented in a hallucinated gradient space, a strategy designed to incorporate both predictive uncertainty and sample diversity into every selected batch. Crucially, BADGE trades off between diversity and uncertainty without requiring any hand-tuned hyperparameters. While other approaches sometimes succeed for particular batch sizes or architectures, BADGE consistently performs as well or better, making it a useful option for real world active learning problems.
Geometric Analysis of Nonconvex Optimization Landscapes for Overcomplete Learning
Keywords: dictionary learning, sparse representations, nonconvex optimization

Learning overcomplete representations finds many applications in machine learning and data analytics. In the past decade, despite the empirical success of heuristic methods, theoretical understandings and explanations of these algorithms are still far from satisfactory. In this work, we provide new theoretical insights for several important representation learning problems: learning (i) sparsely used overcomplete dictionaries and (ii) convolutional dictionaries. We formulate these problems as ℓ4-norm optimization problems over the sphere and study the geometric properties of their nonconvex optimization landscapes. For both problems, we show the nonconvex objective has benign (global) geometric structures, which enable the development of efficient optimization methods finding the target solutions. Finally, our theoretical results are justified by numerical simulations.
A Theory of Usable Information under Computational Constraints

We propose a new framework for reasoning about information in complex systems. Our foundation is based on a variational extension of Shannon’s information theory that takes into account the modeling power and computational constraints of the observer. The resulting predictive V-information encompasses mutual information and other notions of informativeness such as the coefficient of determination. Unlike Shannon’s mutual information and in violation of the data processing inequality, V-information can be created through computation. This is consistent with deep neural networks extracting hierarchies of progressively more informative features in representation learning. Additionally, we show that by incorporating computational constraints, V-information can be reliably estimated from data even in high dimensions with PAC-style guarantees. Empirically, we demonstrate predictive V-information is more effective than mutual information for structure learning and fair representation learning. Codes are available at https://github.com/Newbeeer/V-information .
Mathematical Reasoning in Latent Space
Keywords: machine learning, formal reasoning
TL;DR: Learning to reason about higher order logic formulas in the latent space.

We design and conduct a simple experiment to study whether neural networks can perform several steps of approximate reasoning in a fixed dimensional latent space. The set of rewrites (i.e. transformations) that can be successfully performed on a statement represents essential semantic features of the statement. We can compress this information by embedding the formula in a vector space, such that the vector associated with a statement can be used to predict whether a statement can be rewritten by other theorems. Predicting the embedding of a formula generated by some rewrite rule is naturally viewed as approximate reasoning in the latent space. In order to measure the effectiveness of this reasoning, we perform approximate deduction sequences in the latent space and use the resulting embedding to inform the semantic features of the corresponding formal statement (which is obtained by performing the corresponding rewrite sequence using real formulas). Our experiments show that graph neural networks can make non-trivial predictions about the rewrite-success of statements, even when they propagate predicted latent representations for several steps. Since our corpus of mathematical formulas includes a wide variety of mathematical disciplines, this experiment is a strong indicator for the feasibility of deduction in latent space in general.
Meta-Q-Learning
Keywords: meta reinforcement learning, propensity estimation, off-policy
TL;DR: MQL is a simple off-policy meta-RL algorithm that recycles data from the meta-training replay buffer to adapt to new tasks.

This paper introduces Meta-Q-Learning (MQL), a new off-policy algorithm for meta-Reinforcement Learning (meta-RL). MQL builds upon three simple ideas. First, we show that Q-learning is competitive with state-of-the-art meta-RL algorithms if given access to a context variable that is a representation of the past trajectory. Second, a multi-task objective to maximize the average reward across the training tasks is an effective method to meta-train RL policies. Third, past data from the meta-training replay buffer can be recycled to adapt the policy on a new task using off-policy updates. MQL draws upon ideas in propensity estimation to do so and thereby amplifies the amount of available data for adaptation. Experiments on standard continuous-control benchmarks suggest that MQL compares favorably with the state of the art in meta-RL.