nils-herrmann/clean_scirepeval huggingface dataset:
Triple-Search: Differentiable Joint-Search of Networks, Precision, and Accelerators
Authors: Yonggan Fu, Yongan Zhang, Haoran You, Yingyan Lin

The record-breaking performance and prohibitive complexity of deep neural networks (DNNs) have ignited a substantial need for customized DNN accelerators which have the potential to boost DNN acceleration efficiency by orders-of-magnitude. While it has been recognized that maximizing DNNs' acceleration efficiency requires a joint design/search for three different yet highly coupled aspects, including the networks, adopted precision, and their accelerators, the challenges associated with such a joint search have not yet been fully discussed and addressed. First, to jointly search for a network and its precision via differentiable search, there exists a dilemma of whether to explode the memory consumption or achieve sub-optimal designs. Second, a generic and differentiable joint search of the networks and their accelerators is non-trivial due to (1) the discrete nature of the accelerator space and (2) the difficulty of obtaining operation-wise hardware cost penalties because some accelerator parameters are determined by the whole network. To this end, we propose a Triple-Search (TRIPS) framework to address the aforementioned challenges towards jointly searching for the network structure, precision, and accelerator in a differentiable manner, to efficiently and effectively explore the huge joint search space. Our TRIPS addresses the first challenge above via a heterogeneous sampling strategy to achieve unbiased search with constant memory consumption, and tackles the latter one using a novel co-search pipeline that integrates a generic differentiable accelerator search engine. Extensive experiments and ablation studies validate that both TRIPS generated networks and accelerators consistently outperform state-of-the-art (SOTA) designs (including co-search/exploration techniques, hardware-aware NAS methods, and DNN accelerators), in terms of search time, task accuracy, and accelerator efficiency. All codes will be released upon acceptance.
Interpretable Complex-Valued Neural Networks for Privacy Protection
Authors: Liyao Xiang, Hao Zhang, Haotian Ma, Yifan Zhang, Jie Ren, Quanshi Zhang

Previous studies have found that an adversary attacker can often infer unintended input information from intermediate-layer features. We study the possibility of preventing such adversarial inference, yet without too much accuracy degradation. We propose a generic method to revise the neural network to boost the challenge of inferring input attributes from features, while maintaining highly accurate outputs. In particular, the method transforms real-valued features into complex-valued ones, in which the input is hidden in a randomized phase of the transformed features. The knowledge of the phase acts like a key, with which any party can easily recover the output from the processing result, but without which the party can neither recover the output nor distinguish the original input. Preliminary experiments on various datasets and network structures have shown that our method significantly diminishes the adversary's ability in inferring about the input while largely preserves the resulting accuracy.
Neural Tangents: Fast and Easy Infinite Neural Networks in Python
Authors: Roman Novak, Lechao Xiao, Jiri Hron, Jaehoon Lee, Alexander A. Alemi, Jascha Sohl-Dickstein, Samuel S. Schoenholz

Neural Tangents is a library for working with infinite-width neural networks. It provides a high-level API for specifying complex and hierarchical neural network architectures. These networks can then be trained and evaluated either at finite-width as usual or in their infinite-width limit. Infinite-width networks can be trained analytically using exact Bayesian inference or using gradient descent via the Neural Tangent Kernel. Additionally, Neural Tangents provides tools to study gradient descent training dynamics of wide but finite networks in either function space or weight space.

The entire library runs out-of-the-box on CPU, GPU, or TPU. All computations can be automatically distributed over multiple accelerators with near-linear scaling in the number of devices. 

In addition to the repository below, we provide an accompanying interactive Colab notebook at
Unsupervised Learning of Goal Spaces for Intrinsically Motivated Goal Exploration
Authors: Alexandre Péré, Sébastien Forestier, Olivier Sigaud, Pierre-Yves Oudeyer

Intrinsically motivated goal exploration algorithms enable machines to discover repertoires of policies that produce a diversity of effects in complex environments. These exploration algorithms have been shown to allow real world robots to acquire skills such as tool use in high-dimensional continuous state and action spaces. However, they have so far assumed that self-generated goals are sampled in a specifically engineered feature space, limiting their autonomy. In this work, we propose an approach using deep representation learning algorithms to learn an adequate goal space. This is a developmental 2-stage approach: first, in a perceptual learning stage, deep learning algorithms use passive raw sensor observations of world changes to learn a corresponding latent space; then goal exploration happens in a second stage by sampling goals in this latent space. We present experiments with a simulated robot arm interacting with an object, and we show that exploration algorithms using such learned representations can closely match, and even sometimes improve, the performance obtained using engineered representations.
Multi-Agent Trust Region Learning
Authors: Ying Wen, Hui Chen, Yaodong Yang, Zheng Tian, Minne Li, Xu Chen, Jun Wang

Trust-region methods are widely used in single-agent reinforcement learning.  One advantage is that they guarantee a lower bound of monotonic payoff improvement for policy optimization at each iteration. Nonetheless, when applied in multi-agent settings, such guarantee is lost because an agent's payoff is also determined by other agents' adaptive behaviors.  In fact, measuring agents' payoff improvements in multi-agent reinforcement learning (MARL) scenarios is still challenging. Although game-theoretical solution concepts such as Nash equilibrium can be applied, the algorithm (e.g., Nash-Q learning) suffers from poor scalability beyond two-player discrete games. To mitigate the above measurability and tractability issues, in this paper, we propose Multi-Agent Trust Region Learning (MATRL) method. MATRL augments the single-agent trust-region optimization process with the multi-agent solution concept of stable fixed point that is computed at the policy-space meta-game level. When multiple agents learn simultaneously, stable fixed points at the meta-game level can effectively measure agents' payoff improvements, and, importantly, a meta-game representation enjoys better scalability for multi-player games.  We derive the lower bound of agents' payoff improvements for MATRL methods, and also prove the convergence of our method on the meta-game fixed points. We evaluate the MATRL method on both discrete and continuous multi-player general-sum games; results suggest that MATRL significantly outperforms strong MARL baselines on grid worlds, multi-agent MuJoCo, and Atari games.
Robust Reinforcement Learning for Continuous Control with Model Misspecification
Authors: Daniel J. Mankowitz, Nir Levine, Rae Jeong, Abbas Abdolmaleki, Jost Tobias Springenberg, Yuanyuan Shi, Jackie Kay, Todd Hester, Timothy Mann, Martin Riedmiller

We provide a framework for incorporating robustness -- to perturbations in the transition dynamics which we refer to as model misspecification -- into continuous control Reinforcement Learning (RL) algorithms. We specifically focus on incorporating robustness into a state-of-the-art continuous control RL algorithm called Maximum a-posteriori Policy Optimization (MPO). We achieve this by learning a policy that optimizes for a worst case, entropy-regularized, expected return objective and derive a corresponding robust entropy-regularized Bellman contraction operator. In addition, we introduce a less conservative, soft-robust, entropy-regularized objective with a corresponding Bellman operator. We show that both, robust and soft-robust policies, outperform their non-robust counterparts in nine Mujoco domains with environment perturbations. In addition, we show improved robust performance on a challenging, simulated, dexterous robotic hand. Finally, we present multiple investigative experiments that provide a deeper insight into the robustness framework; including an adaptation to another continuous control RL algorithm. Performance videos can be found online at https://sites.google.com/view/robust-rl.
LEARNING TO IMPUTE: A GENERAL FRAMEWORK FOR SEMI-SUPERVISED LEARNING
Authors: Wei-Hong Li, Chuan-Sheng Foo, Hakan Bilen

Recent semi-supervised learning methods have shown to achieve comparable results to their supervised counterparts while using only a small portion of labels in image classification tasks thanks to their regularization strategies. In this paper, we take a more direct approach for semi-supervised learning and propose learning to impute the labels of unlabeled samples such that a network achieves better generalization when it is trained on these labels. We pose the problem in a learning-to-learn formulation which can easily be incorporated to the state-of-the-art semi-supervised techniques and boost their performance especially when the labels are limited. We demonstrate that our method is applicable to both classification and regression problems including image classification and facial landmark detection tasks.
Geometric and Physical Quantities improve E(3) Equivariant Message Passing
Authors: Johannes Brandstetter, Rob Hesselink, Elise van der Pol, Erik J Bekkers, Max Welling

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E($3$) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant graph networks, such that node and edge attributes are not restricted to invariant scalars, but can contain covariant information, such as vectors or tensors. Our model, composed of steerable MLPs, is able to incorporate geometric and physical information in both the message and update functions.
Through the definition of steerable node attributes, the MLPs provide a new class of activation functions for general use with steerable feature fields. We discuss ours and related work through the lens of equivariant non-linear convolutions, which further allows us to pin-point the successful components of SEGNNs: non-linear message aggregation improves upon classic linear (steerable) point convolutions; steerable messages improve upon recent equivariant graph networks that send invariant messages. We demonstrate the effectiveness of our method on several tasks in computational physics and chemistry and provide extensive ablation studies.
EMaQ: Expected-Max Q-Learning Operator for Simple Yet Effective Offline and Online RL
Authors: Seyed Kamyar Seyed Ghasemipour, Dale Schuurmans, Shixiang Gu

Off-policy reinforcement learning (RL) holds the promise of sample-efficient learning of decision-making policies by leveraging past experience. However, in the offline RL setting -- where a fixed collection of interactions are provided and no further interactions are allowed -- it has been shown that standard off-policy RL methods can significantly underperform. Recently proposed methods often aim to address this shortcoming by constraining learned policies to remain close to the given dataset of interactions. In this work, we closely investigate an important simplification of BCQ~\citep{fujimoto2018off} -- a prior approach for offline RL -- which removes a heuristic design choice and naturally restrict extracted policies to remain \emph{exactly} within the support of a given behavior policy. Importantly, in contrast to their original theoretical considerations, we derive this simplified algorithm through the introduction of a novel backup operator, Expected-Max Q-Learning (EMaQ), which is more closely related to the resulting practical algorithm. Specifically, in addition to the distribution support, EMaQ explicitly considers the number of samples and the proposal distribution, allowing us to derive new sub-optimality bounds which can serve as a novel measure of complexity for offline RL problems. In the offline RL setting -- the main focus of this work -- EMaQ matches and outperforms prior state-of-the-art in the D4RL benchmarks~\citep{fu2020d4rl}. In the online RL setting, we demonstrate that EMaQ is competitive with Soft Actor Critic (SAC). The key contributions of our empirical findings are demonstrating the importance of careful generative model design for estimating behavior policies, and an intuitive notion of complexity for offline RL problems. With its simple interpretation and fewer moving parts, such as no explicit function approximator representing the policy, EMaQ serves as a strong yet easy to implement baseline for future work.
Universal  Stagewise Learning for Non-Convex Problems with  Convergence on  Averaged Solutions
Authors: Zaiyi Chen, Zhuoning Yuan, Jinfeng Yi, Bowen Zhou, Enhong Chen, Tianbao Yang

Although stochastic gradient descent (SGD) method and its variants (e.g., stochastic momentum methods, AdaGrad) are algorithms of choice for solving non-convex problems (especially deep learning),  big gaps still remain between the theory and the practice with many questions unresolved. For example, there is still a lack of theories of convergence for SGD and its variants that use stagewise step size and return an averaged solution in practice. In addition, theoretical insights of why adaptive step size of AdaGrad could improve non-adaptive step size of SGD is still missing for non-convex optimization.   This paper aims to address these questions and fill the gap between theory and practice. We propose a universal stagewise optimization framework for a broad family of non-smooth non-convex problems with the following key features: (i) at each stage any suitable stochastic convex optimization algorithms (e.g., SGD  or AdaGrad)  that return an averaged solution can be employed for minimizing a regularized convex problem; (ii) the step size is decreased in  a stagewise manner; (iii)  an averaged solution  is returned as the final solution. % that is selected from all stagewise averaged solutions with sampling probabilities  increasing as the stage number. 
Our theoretical results of stagewise {\ada}  exhibit its adaptive convergence, therefore shed insights on its faster convergence than stagewise SGD  for problems with slowly growing cumulative stochastic gradients. To the best of our knowledge, these new results are the first of their kind for addressing the unresolved issues of existing theories  mentioned earlier. Besides theoretical contributions, our empirical studies show that our stagewise variants of SGD, AdaGrad  improve the generalization performance of existing variants/implementations of SGD and AdaGrad.
Frequency-aware SGD for Efficient Embedding Learning with Provable Benefits
Authors: Yan Li, Dhruv Choudhary, Xiaohan Wei, Baichuan Yuan, Bhargav Bhushanam, Tuo Zhao, Guanghui Lan

Embedding learning has found widespread applications in recommendation systems and natural language modeling, among other domains. To learn quality embeddings efficiently, adaptive learning rate algorithms have demonstrated superior empirical performance over SGD, largely accredited to their token-dependent learning rate. However, the underlying mechanism for the efficiency of token-dependent learning rate remains underexplored. We show that incorporating frequency information of tokens in the embedding learning problems leads to provably efficient algorithms, and demonstrate that common adaptive algorithms implicitly exploit the frequency information to a large extent. Specifically, we propose (Counter-based) Frequency-aware Stochastic Gradient Descent, which applies a frequency-dependent learning rate for each token, and exhibits provable speed-up compared to SGD when the token distribution is imbalanced. Empirically, we show the proposed algorithms are able to improve or match the performance of adaptive algorithms on benchmark recommendation tasks and a large-scale industrial recommendation system,  closing the performance gap between SGD and adaptive algorithms. Our results are the first to show token-dependent learning rate provably improves convergence for non-convex embedding learning problems.
Signing the Supermask: Keep, Hide, Invert
Authors: Nils Koster, Oliver Grothe, Achim Rettinger

The exponential growth in numbers of parameters of neural networks over the past years has been accompanied by an increase in performance across several fields. However, due to their sheer size, the networks not only became difficult to interpret but also problematic to train and use in real-world applications, since hardware requirements increased accordingly. 
Tackling both issues, we present a novel approach that either drops a neural network's initial weights or inverts their respective sign. 
Put simply, a network is trained by weight selection and inversion without changing their absolute values.
Our contribution extends previous work on masking by additionally sign-inverting the initial weights and follows the findings of the Lottery Ticket Hypothesis.
Through this extension and adaptations of initialization methods, we achieve a pruning rate of up to 99%, while still matching or exceeding the performance of various baseline and previous models.
Our approach has two main advantages.
First, and most notable, signed Supermask models drastically simplify a model's structure, while still performing well on given tasks.
Second, by reducing the neural network to its very foundation, we gain insights into which weights matter for performance. 
The code is available on GitHub.
How Do Vision Transformers Work?
Authors: Namuk Park, Songkuk Kim

The success of multi-head self-attentions (MSAs) for computer vision is now indisputable. However, little is known about how MSAs work. We present fundamental explanations to help better understand the nature of MSAs. In particular, we demonstrate the following properties of MSAs and Vision Transformers (ViTs): (1) MSAs improve not only accuracy but also generalization by flattening the loss landscapes. Such improvement is primarily attributable to their data specificity, not long-range dependency. On the other hand, ViTs suffer from non-convex losses. Large datasets and loss landscape smoothing methods alleviate this problem; (2) MSAs and Convs exhibit opposite behaviors. For example, MSAs are low-pass filters, but Convs are high-pass filters. Therefore, MSAs and Convs are complementary; (3) Multi-stage neural networks behave like a series connection of small individual models. In addition, MSAs at the end of a stage play a key role in prediction. Based on these insights, we propose AlterNet, a model in which Conv blocks at the end of a stage are replaced with MSA blocks. AlterNet outperforms CNNs not only in large data regimes but also in small data regimes. The code is available at https://github.com/xxxnell/how-do-vits-work.
Classifier-agnostic saliency map extraction
Authors: Konrad Zolna, Krzysztof J. Geras, Kyunghyun Cho

Extracting saliency maps, which indicate parts of the image important to classification, requires many tricks to achieve satisfactory performance when using classifier-dependent methods. Instead, we propose classifier-agnostic saliency map extraction, which finds all parts of the image that any classifier could use, not just one given in advance. We observe that the proposed approach extracts higher quality saliency maps and outperforms existing weakly-supervised localization techniques, setting the new state of the art result on the ImageNet dataset.
Bounding and Counting Linear Regions of Deep Neural Networks
Authors: Thiago Serra, Christian Tjandraatmadja, Srikumar Ramalingam

In this paper, we study the representational power of deep neural networks (DNN) that belong to the family of piecewise-linear (PWL) functions, based on PWL activation units such as rectifier or maxout. We investigate the complexity of such networks by studying the number of linear regions of the PWL function. Typically, a PWL function from a DNN can be seen as a large family of linear functions acting on millions of such regions. We directly build upon the work of Mont´ufar et al. (2014), Mont´ufar (2017), and Raghu et al. (2017) by refining the upper and lower bounds on the number of linear regions for rectified and maxout networks. In addition to achieving tighter bounds, we also develop a novel method to perform exact numeration or counting of the number of linear regions with a mixed-integer linear formulation that maps the input space to output. We use this new capability to visualize how the number of linear regions change while training DNNs.
Analytic-DPM: an Analytic Estimate of the Optimal Reverse Variance in Diffusion Probabilistic Models
Authors: Fan Bao, Chongxuan Li, Jun Zhu, Bo Zhang

Diffusion probabilistic models (DPMs) represent a class of powerful generative models. Despite their success, the inference of DPMs is expensive since it generally needs to iterate over thousands of timesteps. A key problem in the inference is to estimate the variance in each timestep of the reverse process. In this work, we present a surprising result that both the optimal reverse variance and the corresponding optimal KL divergence of a DPM have analytic forms w.r.t. its score function. Building upon it, we propose \textit{Analytic-DPM}, a training-free inference framework that estimates the analytic forms of the variance and KL divergence using the Monte Carlo method and a pretrained score-based model. Further, to correct the potential bias caused by the score-based model, we derive both lower and upper bounds of the optimal variance and clip the estimate for a better result. Empirically, our analytic-DPM improves the log-likelihood of various DPMs, produces high-quality samples, and meanwhile enjoys a $20\times$ to $80\times$ speed up.
Variational Predictive Routing with Nested Subjective Timescales
Authors: Alexey Zakharov, Qinghai Guo, Zafeirios Fountas

Discovery and learning of an underlying spatiotemporal hierarchy in sequential data is an important topic for machine learning. Despite this, little work has been done to explore hierarchical generative models that can flexibly adapt their layerwise representations in response to datasets with different temporal dynamics. Here, we present Variational Predictive Routing (VPR) – a neural probabilistic inference system that organizes latent representations of video features in a temporal hierarchy, based on their rates of change, thus modeling continuous data as a hierarchical renewal process. By employing an event detection mechanism that relies solely on the system’s latent representations (without the need of a separate model), VPR is able to dynamically adjust its internal state following changes in the observed features, promoting an optimal organisation of representations across the levels of the model’s latent hierarchy.  Using several video datasets, we show that VPR is able to detect event boundaries, disentangle spatiotemporal features across its hierarchy, adapt to the dynamics of the data, and produce accurate time-agnostic rollouts of the future. Our approach integrates insights from neuroscience and introduces a framework with high potential for applications in model-based reinforcement learning, where flexible and informative state-space rollouts are of particular interest.