nils-herrmann/clean_scirepeval huggingface dataset:
CO-PILOT: COllaborative Planning and reInforcement Learning On sub-Task curriculum
Authors: Shuang Ao, Tianyi Zhou, Guodong Long, Qinghua Lu, Liming Zhu, Jing Jiang

Goal-conditioned reinforcement learning (RL) usually suffers from sparse reward and inefficient exploration in long-horizon tasks. Planning can find the shortest path to a distant goal that provides dense reward/guidance but is inaccurate without a precise environment model. We show that RL and planning can collaboratively learn from each other to overcome their own drawbacks. In ''CO-PILOT'', a learnable path-planner and an RL agent produce dense feedback to train each other on a curriculum of tree-structured sub-tasks. Firstly, the planner recursively decomposes a long-horizon task to a tree of sub-tasks in a top-down manner, whose layers construct coarse-to-fine sub-task sequences as plans to complete the original task. The planning policy is trained to minimize the RL agent's cost of completing the sequence in each layer from top to bottom layers, which gradually increases the sub-tasks and thus forms an easy-to-hard curriculum for the planner.  Next, a bottom-up traversal of the tree trains the RL agent from easier sub-tasks with denser rewards on bottom layers to harder ones on top layers and collects its cost on each sub-task train the planner in the next episode. CO-PILOT repeats this mutual training for multiple episodes before switching to a new task, so the RL agent and planner are fully optimized to facilitate each other's training. We compare CO-PILOT with RL (SAC, HER, PPO), planning (RRT*, NEXT, SGT), and their combination (SoRB) on navigation and continuous control tasks. CO-PILOT significantly improves the success rate and sample efficiency.
Towards Efficient and Effective Adversarial Training
Authors: Gaurang Sriramanan, Sravanti Addepalli, Arya Baburaj, Venkatesh Babu Radhakrishnan

The vulnerability of Deep Neural Networks to adversarial attacks has spurred immense interest towards improving their robustness. However, present state-of-the-art adversarial defenses involve the use of 10-step adversaries during training, which renders them computationally infeasible for application to large-scale datasets. While the recent single-step defenses show promising direction, their robustness is not on par with multi-step training methods. In this work, we bridge this performance gap by introducing a novel Nuclear-Norm regularizer on network predictions to enforce function smoothing in the vicinity of data samples.  While prior works consider each data sample independently, the proposed regularizer uses the joint statistics of adversarial samples across a training minibatch to enhance optimization during both attack generation and training, obtaining state-of-the-art results amongst efficient defenses. We achieve further gains by incorporating exponential averaging of network weights over training iterations. We finally introduce a Hybrid training approach that combines the effectiveness of a two-step variant of the proposed defense with the efficiency of a single-step defense. We demonstrate superior results when compared to multi-step defenses such as TRADES and PGD-AT as well, at a significantly lower computational cost.
Gradual Domain Adaptation without Indexed Intermediate Domains
Authors: Hong-You Chen, Wei-Lun Chao

The effectiveness of unsupervised domain adaptation degrades when there is a large discrepancy between the source and target domains. Gradual domain adaption (GDA) is one promising way to mitigate such an issue, by leveraging additional unlabeled data that gradually shift from the source to the target. Through sequentially adapting the model along the "indexed" intermediate domains, GDA substantially improves the overall adaptation performance. In practice, however, the extra unlabeled data may not be separated into intermediate domains and indexed properly, limiting the applicability of GDA. In this paper, we investigate how to discover the sequence of intermediate domains when it is not already available. Concretely, we propose a coarse-to-fine framework, which starts with a coarse domain discovery step via progressive domain discriminator training. This coarse domain sequence then undergoes a fine indexing step via a novel cycle-consistency loss, which encourages the next intermediate domain to preserve sufficient discriminative knowledge of the current intermediate domain. The resulting domain sequence can then be used by a GDA algorithm. On benchmark data sets of GDA, we show that our approach, which we name Intermediate DOmain Labeler (IDOL), can lead to comparable or even better adaptation performance compared to the pre-defined domain sequence, making GDA more applicable and robust to the quality of domain sequences. Codes are available at https://github.com/hongyouc/IDOL.
RoMA: Robust Model Adaptation for Offline Model-based Optimization
Authors: Sihyun Yu, Sungsoo Ahn, Le Song, Jinwoo Shin

We consider the problem of searching an input maximizing a black-box objective function given a static dataset of input-output queries. A popular approach to solving this problem is maintaining a proxy model, e.g., a deep neural network (DNN), that approximates the true objective function. Here, the main challenge is how to avoid adversarially optimized inputs during the search, i.e., the inputs where the DNN highly overestimates the true objective function. To handle the issue, we propose a new framework, coined robust model adaptation (RoMA), based on gradient-based optimization of inputs over the DNN. Specifically, it consists of two steps: (a) a pre-training strategy to robustly train the proxy model and (b) a novel adaptation procedure of the proxy model to have robust estimates for a specific set of candidate solutions. At a high level, our scheme utilizes the local smoothness prior to overcome the brittleness of the DNN. Experiments under various tasks show the effectiveness of RoMA compared with previous methods, obtaining state-of-the-art results, e.g., RoMA outperforms all at 4 out of 6 tasks and achieves runner-up results at the remaining tasks.
DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networks
Authors: Pál András Papp, Karolis Martinkus, Lukas Faber, Roger Wattenhofer

This paper studies Dropout Graph Neural Networks (DropGNNs), a new approach that aims to overcome the limitations of standard GNN frameworks. In DropGNNs, we execute multiple runs of a GNN on the input graph, with some of the nodes randomly and independently dropped in each of these runs. Then, we combine the results of these runs to obtain the final result. We prove that DropGNNs can distinguish various graph neighborhoods that cannot be separated by message passing GNNs. We derive theoretical bounds for the number of runs required to ensure a reliable distribution of dropouts, and we prove several properties regarding the expressive capabilities and limits of DropGNNs. We experimentally validate our theoretical findings on expressiveness. Furthermore, we show that DropGNNs perform competitively on established GNN benchmarks.
Dynamic Normalization and Relay for Video Action Recognition
Authors: Dongqi Cai, Anbang Yao, Yurong Chen

Convolutional Neural Networks (CNNs) have been the dominant model for video action recognition. Due to the huge memory and compute demand, popular action recognition networks need to be trained with small batch sizes, which makes learning discriminative spatial-temporal representations for videos become a challenging problem. In this paper, we present Dynamic Normalization and Relay (DNR), an improved normalization design, to augment the spatial-temporal representation learning of any deep action recognition model, adapting to small batch size training settings. We observe that state-of-the-art action recognition networks usually apply the same normalization parameters to all video data, and ignore the dependencies of the estimated normalization parameters between neighboring frames (at the same layer) and between neighboring layers (with all frames of a video clip). Inspired by this, DNR introduces two dynamic normalization relay modules to explore the potentials of cross-temporal and cross-layer feature distribution dependencies for estimating accurate layer-wise normalization parameters. These two DNR modules are instantiated as a light-weight recurrent structure conditioned on the current input features, and the normalization parameters estimated from the neighboring frames based features at the same layer or from the whole video clip based features at the preceding layers. We first plug DNR into prevailing 2D CNN backbones and test its performance on public action recognition datasets including Kinetics and Something-Something. Experimental results show that DNR brings large performance improvements to the baselines, achieving over 4.4% absolute margins in top-1 accuracy without training bells and whistles. More experiments on 3D backbones and several latest 2D spatial-temporal networks further validate its effectiveness. Code will be available at https://github.com/caidonkey/dnr.
Efficient methods for Gaussian Markov random fields under sparse linear constraints
Authors: David Bolin, Jonas Wallin

Methods for inference and simulation of linearly constrained Gaussian Markov Random Fields (GMRF) are computationally prohibitive when the number of constraints is large. In some cases, such as for intrinsic GMRFs, they may even be unfeasible. We propose a new class of methods to overcome these challenges in the common case of sparse constraints, where one has a large number of constraints and each only involves a few elements. Our methods rely on a basis transformation into blocks of constrained versus non-constrained subspaces, and we show that the methods greatly outperform existing alternatives in terms of computational cost. By combining the proposed methods with the stochastic partial differential equation approach for Gaussian random fields, we also show how to formulate Gaussian process regression with linear constraints in a GMRF setting to reduce computational cost. This is illustrated in two applications with simulated data.
VICReg: Variance-Invariance-Covariance Regularization for Self-Supervised Learning
Authors: Adrien Bardes, Jean Ponce, Yann LeCun

Recent self-supervised methods for image representation learning maximize the agreement between embedding vectors produced by encoders fed with different views of the same image. The main challenge is to prevent a collapse in which the encoders produce constant or non-informative vectors. We introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with two regularizations terms applied to both embeddings separately: (1) a term that maintains the variance of each embedding dimension above a threshold, (2) a term that decorrelates each pair of variables. Unlike most other approaches to the same problem, VICReg does not require techniques such as: weight sharing between the branches, batch normalization, feature-wise normalization, output quantization, stop gradient, memory banks, etc., and achieves results on par with the state of the art on several downstream tasks. In addition, we show that our variance regularization term stabilizes the training of other methods and leads to performance improvements.
Improve Agents without Retraining: Parallel Tree Search with Off-Policy Correction
Authors: Gal Dalal, Assaf Hallak, Steven Dalton, iuri frosio, Shie Mannor, Gal Chechik

Tree Search (TS) is crucial to some of the most influential successes in reinforcement learning. Here, we tackle two major challenges with TS that limit its usability: \textit{distribution shift} and \textit{scalability}. We first discover and analyze a counter-intuitive phenomenon: action selection through TS and a pre-trained value function often leads to lower performance compared to the original pre-trained agent, even when having access to the exact state and reward in future steps. We show this is due to a distribution shift to areas where value estimates are highly inaccurate and analyze this effect using Extreme Value theory. To overcome this problem, we introduce a novel off-policy correction term that accounts for the mismatch between the pre-trained value and its corresponding TS policy by penalizing under-sampled trajectories. We prove that our correction eliminates the above mismatch and bound the probability of sub-optimal action selection. Our correction significantly improves pre-trained Rainbow agents without any further training, often more than doubling their scores on Atari games. Next, we address the scalability issue given by the computational complexity of exhaustive TS that scales exponentially with the tree depth. We introduce Batch-BFS: a GPU breadth-first search that advances all nodes in each depth of the tree simultaneously. Batch-BFS reduces runtime by two orders of magnitude and, beyond inference, enables also training with TS of depths that were not feasible before. We train DQN agents from scratch using TS and show improvement in several Atari games compared to both the original DQN and the more advanced Rainbow. We will share the code upon publication.
Identifiability in inverse reinforcement learning
Authors: Haoyang Cao, Samuel N Cohen, Lukasz Szpruch

Inverse reinforcement learning attempts to reconstruct the reward function in a Markov decision problem, using observations of agent actions. As already observed in Russell [1998] the problem is ill-posed, and the reward function is not identifiable, even under the presence of perfect information about optimal behavior. We provide a resolution to this non-identifiability for problems with entropy regularization. For a given environment, we fully characterize the reward functions leading to a given policy and demonstrate that, given demonstrations of actions for the same reward under two distinct discount factors, or under sufficiently different environments, the unobserved reward can be recovered up to a constant. We also give general necessary and sufficient conditions for reconstruction of time-homogeneous rewards on finite horizons, and for action-independent rewards, generalizing recent results of Kim et al. [2021] and Fu et al. [2018].
Deformable Butterfly: A Highly Structured and Sparse Linear Transform
Authors: Rui Lin, Jie Ran, King Hung Chiu, Graziano Chesi, Ngai Wong

We introduce a new kind of linear transform named Deformable Butterfly (DeBut) that generalizes the conventional butterfly matrices and can be adapted to various input-output dimensions. It inherits the fine-to-coarse-grained learnable hierarchy of traditional butterflies and when deployed to neural networks, the prominent structures and sparsity in a DeBut layer constitutes a new way for network compression. We apply DeBut as a drop-in replacement of standard fully connected and convolutional layers, and demonstrate its superiority in homogenizing a neural network and rendering it favorable properties such as light weight and low inference complexity, without compromising accuracy. The natural complexity-accuracy tradeoff arising from the myriad deformations of a DeBut layer also opens up new rooms for analytical and practical research. The codes and Appendix are publicly available at: https://github.com/ruilin0212/DeBut.
Learning with Labeling Induced Abstentions
Authors: Kareem Amin, Giulia DeSalvo, Afshin Rostamizadeh

Consider a setting where we wish to automate an expensive task with a machine learning algorithm using a limited labeling resource. In such settings, examples routed for labeling are often out of scope for the machine learning algorithm. For example, in a spam detection setting, human reviewers not only provide labeled data but are such high-quality detectors of spam that examples routed to them no longer require machine evaluation. As a consequence, the distribution of examples routed to the machine is intimately tied to the process generating labels. We introduce a formalization of this setting, and give an algorithm that simultaneously learns a model and decides when to request a label by leveraging ideas from both the abstention and active learning literatures. We prove an upper bound on the algorithm's label complexity and a matching lower bound for any algorithm in this setting. We conduct a thorough set of experiments including an ablation study to test different components of our algorithm. We demonstrate the effectiveness of an efficient version of our algorithm over margin sampling on a variety of datasets.
PDE-GCN: Novel Architectures for Graph Neural Networks Motivated by Partial Differential Equations
Authors: Moshe Eliasof, Eldad Haber, Eran Treister

Graph neural networks are increasingly becoming the go-to approach in various fields such as computer vision, computational biology and chemistry, where data are naturally explained by graphs. However, unlike traditional convolutional neural networks, deep graph networks do not necessarily yield better performance than shallow graph networks. 
This behavior usually stems from the over-smoothing phenomenon. In this work, we propose a family of architectures
to control this behavior by design. Our networks are motivated by numerical methods for solving Partial Differential Equations (PDEs) on manifolds, and as such, their behavior can be explained by similar analysis. Moreover, as we demonstrate using an extensive set of experiments, our PDE-motivated networks can generalize and be effective for various types of problems from different fields. Our architectures obtain better or on par with the current state-of-the-art results for problems that are typically approached using different architectures.
On the Value of Infinite Gradients in Variational Autoencoder Models
Authors: Bin Dai, Li Kevin Wenliang, David Wipf

A number of recent studies of continuous variational autoencoder (VAE) models have noted, either directly or indirectly, the tendency of various parameter gradients to drift towards infinity during training.  Because such gradients could potentially contribute to numerical instabilities, and are often framed as a problematic phenomena to be avoided, it may be tempting to shift to alternative energy functions that guarantee bounded gradients.  But it remains an open question: What might the unintended consequences of such a restriction be?  To address this issue, we examine how unbounded gradients relate to the regularization of a broad class of autoencoder-based architectures, including VAE models, as applied to data lying on or near a low-dimensional manifold (e.g., natural images).  Our main finding is that, if the ultimate goal is to simultaneously avoid over-regularization (high reconstruction errors, sometimes referred to as posterior collapse) and under-regularization (excessive latent dimensions are not pruned from the model), then an autoencoder-based energy function with infinite gradients around optimal representations is provably required per a certain technical sense which we carefully detail.  Given that both over- and under-regularization can directly lead to poor generated sample quality or suboptimal feature selection, this result suggests that heuristic modifications to or constraints on the VAE energy function may at times be ill-advised, and large gradients should be accommodated to the extent possible.
Statistical Inference with M-Estimators on Adaptively Collected Data
Authors: Kelly Wang Zhang, Lucas Janson, Susan Murphy

Bandit algorithms are increasingly used in real-world sequential decision-making problems. Associated with this is an increased desire to be able to use the resulting datasets to answer scientific questions like: Did one type of ad lead to more purchases? In which contexts is a mobile health intervention effective? However, classical statistical approaches fail to provide valid confidence intervals when used with data collected with bandit algorithms. Alternative methods have recently been developed for simple models (e.g., comparison of means). Yet there is a lack of general methods for  conducting statistical inference using more complex models on data collected with (contextual) bandit algorithms; for example, current methods cannot be used for valid inference on parameters in a logistic regression model for a binary reward. In this  work, we develop theory justifying the use of M-estimators---which  includes estimators based on empirical risk minimization as well as maximum likelihood---on data collected with adaptive algorithms, including (contextual) bandit algorithms. Specifically, we show that M-estimators, modified with particular adaptive weights, can be used  to construct asymptotically valid confidence regions for a variety of inferential targets.
PSD Representations for Effective Probability Models
Authors: Alessandro Rudi, Carlo Ciliberto

Finding a good way to model probability densities is key to probabilistic inference. An ideal model should be able to concisely approximate any probability while being also compatible with two main operations: multiplications of two models (product rule) and marginalization with respect to a subset of the random variables (sum rule). In this work, we show that a recently proposed class of positive semi-definite (PSD) models for non-negative functions is particularly suited to this end. In particular, we characterize both approximation and generalization capabilities of PSD models, showing that they enjoy strong theoretical guarantees. Moreover, we show that we can perform efficiently both sum and product rule in closed form via matrix operations, enjoying the same versatility of mixture models. Our results open the way to applications of PSD models to density estimation, decision theory, and inference.
Generalized Proximal Policy Optimization with Sample Reuse
Authors: James Queeney, Ioannis Paschalidis, Christos Cassandras

In real-world decision making tasks, it is critical for data-driven reinforcement learning methods to be both stable and sample efficient. On-policy methods typically generate reliable policy improvement throughout training, while off-policy methods make more efficient use of data through sample reuse. In this work, we combine the theoretically supported stability benefits of on-policy algorithms with the sample efficiency of off-policy algorithms. We develop policy improvement guarantees that are suitable for the off-policy setting, and connect these bounds to the clipping mechanism used in Proximal Policy Optimization. This motivates an off-policy version of the popular algorithm that we call Generalized Proximal Policy Optimization with Sample Reuse. We demonstrate both theoretically and empirically that our algorithm delivers improved performance by effectively balancing the competing goals of stability and sample efficiency.