huashen218/convxai-cia-dataset huggingface dataset:
Understanding Domain Randomization for Sim-to-real Transfer
Keywords: domain randomization, sim-to-real transfer, learning theory

Reinforcement learning encounters many challenges when applied directly in the real world. Sim-to-real transfer is widely used to transfer the knowledge learned from simulation to the real world. Domain randomization---one of the most popular algorithms for sim-to-real transfer---has been demonstrated to be effective in various tasks in robotics and  autonomous driving. Despite its empirical successes, theoretical understanding on why this simple algorithm works is largely missing. In this paper, we propose a  theoretical framework for sim-to-real transfers, in which the simulator is modeled as a set of MDPs with tunable parameters (corresponding to unknown physical parameters such as friction).  We provide sharp bounds on the sim-to-real gap---the difference between the value of policy returned by domain randomization and the value of an optimal policy for the real world. We prove that sim-to-real transfer can succeed under mild conditions without any real-world training samples. Our theory also highlights the importance of using memory (i.e., history-dependent policies) in domain randomization. Our proof is based on novel techniques that reduce the problem of bounding the sim-to-real gap to the problem of designing efficient learning algorithms for infinite-horizon MDPs, which we believe are of independent interest.
$\mathrm{SO}(2)$-Equivariant Reinforcement Learning
Keywords: Reinforcement Learning, Equivariance, Robotic Manipulation

Equivariant neural networks enforce symmetry within the structure of their convolutional layers, resulting in a substantial improvement in sample efficiency when learning an equivariant or invariant function. Such models are applicable to robotic manipulation learning which can often be formulated as a rotationally symmetric problem. This paper studies equivariant model architectures in the context of $Q$-learning and actor-critic reinforcement learning. We identify equivariant and invariant characteristics of the optimal $Q$-function and the optimal policy and propose equivariant DQN and SAC algorithms that leverage this structure. We present experiments that demonstrate that our equivariant versions of DQN and SAC can be significantly more sample efficient than competing algorithms on an important class of robotic manipulation problems.
Scarf: Self-Supervised Contrastive Learning using Random Feature Corruption
Keywords: self-supervised learning, tabular data, pre-training, contrastive learning, openML

Self-supervised contrastive representation learning has proved incredibly successful in the vision and natural language domains, enabling state-of-the-art performance with orders of magnitude less labeled data. However, such methods are domain-specific and little has been done to leverage this technique on real-world \emph{tabular} datasets. We propose \textsc{Scarf}, a simple, widely-applicable technique for contrastive learning, where views are formed by corrupting a random subset of features. When applied to pre-train deep neural networks on the 69 real-world, tabular classification datasets from the OpenML-CC18 benchmark, \textsc{Scarf} not only improves classification accuracy in the fully-supervised setting but does so also in the presence of label noise and in the semi-supervised setting where only a fraction of the available training data is labeled. We show that \textsc{Scarf} complements existing strategies and outperforms alternatives like autoencoders. We conduct comprehensive ablations, detailing the importance of a range of factors.
Responsible Disclosure of Generative Models Using Scalable Fingerprinting
Keywords: Generative models, fingerprinting, responsible disclosure, deep fake detection and attribution

Over the past years, deep generative models have achieved a new level of performance. Generated data has become difficult, if not impossible, to be distinguished from real data. While there are plenty of use cases that benefit from this technology, there are also strong concerns on how this new technology can be misused to generate deep fakes and enable misinformation at scale. Unfortunately, current deep fake detection methods are not sustainable, as the gap between real and fake continues to close. In contrast, our work enables a responsible disclosure of such state-of-the-art generative models, that allows model inventors to fingerprint their models, so that the generated samples containing a fingerprint can be accurately detected and attributed to a source. Our technique achieves this by an efficient and scalable ad-hoc generation of a large population of models with distinct fingerprints. Our recommended operation point uses a 128-bit fingerprint which in principle results in more than 10^{38} identifiable models. Experiments show that our method fulfills key properties of a fingerprinting mechanism and achieves effectiveness in deep fake detection and attribution. Code and models are available at https://github.com/ningyu1991/ScalableGANFingerprints.
Path Auxiliary Proposal for MCMC in Discrete Space

Energy-based Model (EBM) offers a powerful approach for modeling discrete structure, but both inference and learning of EBM are hard as it involves sampling from discrete distributions. Recent work shows Markov Chain Monte Carlo (MCMC) with the informed proposal is a powerful tool for such sampling. However, an informed proposal only allows local updates as it requires evaluating all energy changes in the neighborhood.
        In this work, we present a path auxiliary algorithm that uses a composition of local moves to efficiently explore large neighborhoods. We also give a fast version of our algorithm that only queries the evaluation of energy function twice for each proposal via linearization of the energy function. Empirically, we show that our path auxiliary algorithms considerably outperform other generic samplers on various discrete models for sampling, inference, and learning. Our method can also be used to train deep EBMs for high-dimensional discrete data.
Possibility Before Utility: Learning And Using Hierarchical Affordances
Keywords: RL, HRL, reinforcement learning, hierarchical reinforcement learning, affordances, hierarchical affordances

Reinforcement learning algorithms struggle on tasks with complex hierarchical dependency structures. Humans and other intelligent agents do not waste time assessing the utility of every high-level action in existence, but instead only consider ones they deem possible in the first place. By focusing only on what is feasible, or "afforded'', at the present moment, an agent can spend more time both evaluating the utility of and acting on what matters. To this end, we present Hierarchical Affordance Learning (HAL), a method that learns a model of hierarchical affordances in order to prune impossible subtasks for more effective learning. Existing works in hierarchical reinforcement learning provide agents with structural representations of subtasks but are not affordance-aware, and by grounding our definition of hierarchical affordances in the present state, our approach is more flexible than the multitude of approaches that ground their subtask dependencies in a symbolic history. While these logic-based methods often require complete knowledge of the subtask hierarchy, our approach is able to utilize incomplete and varying symbolic specifications. Furthermore, we demonstrate that relative to non-affordance-aware methods, HAL agents are better able to efficiently learn complex tasks, navigate environment stochasticity, and acquire diverse skills in the absence of extrinsic supervision---all of which are hallmarks of human learning.
Interpretable Unsupervised Diversity Denoising and Artefact Removal
Keywords: Interpretable Unsupervised Image Restoration, Diversity Image Restoration, Unsupervised Image Denoising, Unsupervised Artefact Removal

Image denoising and artefact removal are complex inverse problems admitting multiple valid solutions. Unsupervised diversity restoration, that is, obtaining a diverse set of possible restorations given a corrupted image, is important for ambiguity removal in many applications such as microscopy where paired data for supervised training are often unobtainable. In real world applications, imaging noise and artefacts are typically hard to model, leading to unsatisfactory performance of existing unsupervised approaches. This work presents an interpretable approach for unsupervised and diverse image restoration. To this end, we introduce a capable architecture called Hierarchical DivNoising (HDN) based on hierarchical Variational Autoencoder. We show that HDN learns an interpretable multi-scale representation of artefacts  and we leverage this interpretability to remove imaging artefacts commonly occurring in microscopy data. Our method achieves state-of-the-art results on twelve benchmark image denoising datasets while providing access to a whole distribution of sensibly restored solutions.
        Additionally, we demonstrate on three real microscopy datasets that HDN removes artefacts without supervision, being the first method capable of doing so while generating multiple plausible restorations all consistent with the given corrupted image.
Half-Inverse Gradients for Physical Deep Learning
Keywords: physical simulation, partial differential equations, physical loss functions, optimization

Recent works in deep learning have shown that integrating differentiable physics simulators into the training process can greatly improve the quality of results. Although this combination represents a more complex optimization task than usual neural network training, the same gradient-based optimizers are used to minimize the loss function. However, the integrated physics solvers have a profound effect on the gradient flow as manipulating scales in magnitude and direction is an inherent property of many physical processes. Consequently, the gradient flow is often highly unbalanced and creates an environment in which existing gradient-based optimizers perform poorly. In this work, we analyze the characteristics of both physical and neural network optimizations separately to derive a new method based on a half-inversion of the Jacobian. Our approach combines principles of both classical network and physics optimizers to solve the combined optimization task. Compared to state-of-the-art neural network optimizers, our method converges more quickly and to better solutions, which we demonstrate on three complex learning problems involving nonlinear oscillators, the Schroedinger equation and the Poisson problem.
EE-Net: Exploitation-Exploration Neural Networks in Contextual Bandits
Keywords: Contextual Bandits, Exploration Strategy, Neural Networks

In this paper, we propose a novel neural exploration strategy in contextual bandits, EE-Net, distinct from the standard UCB-based and TS-based approaches. Contextual multi-armed bandits have been studied for decades with various applications. To solve the exploitation-exploration tradeoff in bandits, there are three main techniques: epsilon-greedy, Thompson Sampling (TS), and Upper Confidence Bound (UCB). In recent literature, linear contextual bandits have adopted ridge regression to estimate the reward function and combine it with TS or UCB strategies for exploration. However, this line of works explicitly assumes the reward is based on a linear function of arm vectors, which may not be true in real-world datasets. To overcome this challenge, a series of neural bandit algorithms have been proposed, where a neural network is used to learn the underlying reward function and TS or UCB are adapted for exploration. Instead of calculating a large-deviation based statistical bound for exploration like previous methods,  we propose "EE-Net", a novel neural-based exploration strategy. In addition to using a neural network (Exploitation network) to learn the reward function, EE-Net uses another neural network (Exploration network) to adaptively learn potential gains compared to the currently estimated reward for exploration. Then, a decision-maker is constructed to combine the outputs from the Exploitation and Exploration networks. We prove that EE-Net can achieve $\mathcal{O}(\sqrt{T\log T})$ regret and show that EE-Net outperforms existing linear and neural contextual bandit baselines on real-world datasets.
Spike-inspired rank coding for fast and accurate recurrent neural networks

Biological spiking neural networks (SNNs) can temporally encode information in their outputs, e.g. in the rank order in which neurons fire, whereas artificial neural networks (ANNs) conventionally do not. As a result, models of SNNs for neuromorphic computing are regarded as potentially more rapid and efficient than ANNs when dealing with temporal input. On the other hand, ANNs are simpler to train, and usually achieve superior performance. Here we show that temporal coding such as rank coding (RC) inspired by SNNs can also be applied to conventional ANNs such as LSTMs, and leads to computational savings and speedups.
        In our RC for ANNs, we apply backpropagation through time using the standard real-valued activations, but only from a strategically early time step of each sequential input example, decided by a threshold-crossing event. Learning then incorporates naturally also when to produce an output, without other changes to the model or the algorithm. Both the forward and the backward training pass can be significantly shortened by skipping the remaining input sequence after that first event. RC-training also significantly reduces time-to-insight during inference, with a minimal decrease in accuracy. The desired speed-accuracy trade-off is tunable by varying the threshold or a regularization parameter that rewards output entropy. We demonstrate these in two toy problems of sequence classification, and in a temporally-encoded MNIST dataset where our RC model achieves 99.19% accuracy after the first input time-step, outperforming the state of the art in temporal coding with SNNs, as well as in spoken-word classification of Google Speech Commands, outperforming non-RC-trained early inference with LSTMs.
How to Robustify Black-Box ML Models? A Zeroth-Order Optimization Perspective
Keywords: Zeroth-Order Optimization, Black-Box Defense, Gradient-Free, Adversarial Robustness, Certified Defense

The lack of adversarial robustness has been recognized as an important issue for state-of-the-art machine learning (ML) models, e.g., deep neural networks (DNNs). Thereby, robustifying ML models against adversarial attacks is now a major focus of research. However, nearly all existing defense methods, particularly for robust training, made the white-box assumption that the defender has the access to the details of an ML model (or its surrogate alternatives if available), e.g., its architectures and parameters. Beyond existing works, in this paper we aim to address the problem of black-box defense: How to robustify a black-box model using just input queries and output feedback? Such a problem arises in practical scenarios, where the owner of the predictive model is reluctant to share model information in order to preserve privacy. To this end, we propose a general notion of defensive operation that can be applied to black-box models, and design it through the lens of denoised smoothing (DS), a ﬁrst-order (FO) certiﬁed defense technique. To allow the design of merely using model queries, we further integrate DS with the zeroth-order (gradient-free) optimization. However, a direct implementation of zeroth-order (ZO) optimization suffers a high variance of gradient estimates, and thus leads to ineffective defense. To tackle this problem, we next propose to prepend an autoencoder (AE) to a given (black-box) model so that DS can be trained using variance-reduced ZO optimization. We term the eventual defense as ZO-AE-DS. In practice, we empirically show that ZO-AE-DS can achieve improved accuracy, certiﬁed robustness, and query complexity over existing baselines. And the effectiveness of our approach is justiﬁed under both image classiﬁcation and image reconstruction tasks.
RelaxLoss: Defending Membership Inference Attacks without Losing Utility
Keywords: membership inference attack, defense

As a long-term threat to the privacy of training data, membership inference attacks (MIAs) emerge ubiquitously in machine learning models.
        Existing works evidence strong connection between the distinguishability of the training and testing loss distributions and the model's vulnerability to MIAs. Motivated by existing results, we propose a novel training framework based on a relaxed loss ($\textbf{RelaxLoss}$) with a more achievable learning target, which leads to narrowed generalization gap and reduced privacy leakage. RelaxLoss is applicable to any classification model with added benefits of easy implementation and negligible overhead. Through extensive evaluations on five datasets with diverse modalities (images, medical data, transaction records), our approach consistently outperforms state-of-the-art defense mechanisms in terms of resilience against MIAs as well as model utility. Our defense is the first that can withstand a wide range of attacks while preserving (or even improving) the target model's utility.
Analyzing and Improving the Optimization Landscape of Noise-Contrastive Estimation
Keywords: noise contrastive estimation, contrastive learning, unsupervised learning, theory

Noise-contrastive estimation (NCE) is a statistically consistent method for learning unnormalized probabilistic models. It has been empirically observed that the choice of the noise distribution is crucial for NCE’s performance. However, such observation has never been made formal or quantitative. In fact, it is not even clear whether the difficulties arising from a poorly chosen noise distribution are statistical or algorithmic in nature.
        In this work, we formally pinpoint reasons for NCE’s poor performance when an inappropriate noise distribution is used. Namely, we prove these challenges arise due to an ill-behaved (more precisely, flat) loss landscape.
        To address this, we introduce a variant of NCE called \emph{eNCE} which uses an exponential loss and for which \emph{normalized gradient descent} addresses the landscape issues \emph{provably} when the target and noise distributions are in a given exponential family.
Contact Points Discovery for Soft-Body Manipulations with Differentiable Physics
Keywords: differentiable physics, soft body manipulation

Differentiable physics has recently been shown as a powerful tool for solving soft-body manipulation tasks. However, the differentiable physics solver often gets stuck when the initial contact points of the end effectors are sub-optimal or when performing multi-stage tasks that require contact point switching, which often leads to local minima.
        To address this challenge, we propose a  contact point discovery approach (CPDeform) that guides the stand-alone differentiable physics solver to deform various soft-body plasticines. The key idea of our approach is to integrate optimal transport-based contact points discovery into the differentiable physics solver to overcome the local minima from initial contact points or contact switching.
        On single-stage tasks, our method can automatically find suitable initial contact points based on transport priorities. On complex multi-stage tasks, we can iteratively switch the contact points of end-effectors based on transport priorities. To evaluate the effectiveness of our method, we introduce PlasticineLab-M that extends the existing differentiable physics benchmark PlasticineLab to seven new challenging multi-stage soft-body manipulation tasks. Extensive experimental results suggest that: 1) on multi-stage tasks that are infeasible for the vanilla differentiable physics solver, our approach discovers contact points that efficiently guide the solver to completion; 2) on tasks where the vanilla solver performs sub-optimally or near-optimally, our contact point discovery method performs better than or on par with the manipulation performance obtained with handcrafted contact points.
Leveraging Automated Unit Tests for Unsupervised Code Translation
Keywords: unsupervised, translation, code, self-training, pseudo-labelling, unit tests, programming languages, deep learning, transformer

With little to no parallel data available for programming languages, unsupervised methods are well-suited to source code translation. However, the majority of unsupervised machine translation approaches rely on back-translation, a method developed in the context of natural language translation and one that inherently involves training on noisy inputs. Unfortunately, source code is highly sensitive to small changes; a single token can result in compilation failures or erroneous programs, unlike natural languages where small inaccuracies may not change the meaning of a sentence. To address this issue, we propose to leverage an automated unit-testing system to filter out invalid translations, thereby creating a fully tested parallel corpus. We found that fine-tuning an unsupervised model with this filtered data set significantly reduces the noise in the translations so-generated, comfortably outperforming the state-of-the-art for all language pairs studied. In particular, for Java→Python and Python→C++ we outperform the best previous methods by more than 16% and 24% respectively, reducing the error rate by more than 35%.
Scalable Sampling for Nonsymmetric Determinantal Point Processes
Keywords: determinantal point processes, sampling

A determinantal point process (DPP) on a collection of $M$ items is a model, parameterized by a symmetric kernel matrix, that assigns a probability to every subset of those items.  Recent work shows that removing the kernel symmetry constraint, yielding nonsymmetric DPPs (NDPPs), can lead to significant predictive performance gains for machine learning applications. However, existing work leaves open the question of scalable NDPP sampling. There is only one known DPP sampling algorithm, based on Cholesky decomposition, that can directly apply to NDPPs as well. Unfortunately, its runtime is cubic in $M$, and thus does not scale to large item collections. In this work, we first note that this algorithm can be transformed into a linear-time one for kernels with low-rank structure.  Furthermore, we develop a scalable sublinear-time rejection sampling algorithm by constructing a novel proposal distribution.  Additionally, we show that imposing certain structural constraints on the NDPP kernel enables us to bound the rejection rate in a way that depends only on the kernel rank. In our experiments we compare the speed of all of these samplers for a variety of real-world tasks.
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design
Keywords: molecular design, synthesis planning, tree generation, graph generation

Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to bioactivity and drug discovery.