huashen218/convxai-cia-dataset huggingface dataset:
Sqrt(d) Dimension Dependence of Langevin Monte Carlo
Keywords: unadjusted Langevin algorithm / Langevin Monte Carlo, non-asymptotic sampling error in Wasserstein-2 distance, optimal dimension dependence, mean square analysis

This article considers the popular MCMC method of unadjusted Langevin Monte Carlo (LMC) and provides a non-asymptotic analysis of its sampling error in 2-Wasserstein distance. The proof is based on a refinement of mean-square analysis in Li et al. (2019), and this refined framework automates the analysis of a large class of sampling algorithms based on discretizations of contractive SDEs. Using this framework, we establish an $\tilde{O}(\sqrt{d}/\epsilon)$ mixing time bound for LMC, without warm start, under the common log-smooth and log-strongly-convex conditions, plus a growth condition on the 3rd-order derivative of the potential of target measures. This bound improves the best previously known $\tilde{O}(d/\epsilon)$ result and is optimal (in terms of order) in both dimension $d$ and accuracy tolerance $\epsilon$ for target measures satisfying the aforementioned assumptions. Our theoretical analysis is further validated by numerical experiments.
Relational Surrogate Loss Learning

Evaluation metrics in machine learning are often hardly taken as loss functions, as they could be non-differentiable and non-decomposable, e.g., average precision and F1 score. This paper aims to address this problem by revisiting the surrogate loss learning, where a deep neural network is employed to approximate the evaluation metrics. Instead of pursuing an exact recovery of the evaluation metric through a deep neural network, we are reminded of the purpose of the existence of these evaluation metrics, which is to distinguish whether one model is better or worse than another. In this paper, we show that directly maintaining the relation of models between surrogate losses and metrics suffices, and propose a rank correlation-based optimization method to maximize this relation and learn surrogate losses. Compared to previous works, our method is much easier to optimize and enjoys significant efficiency and performance gains. Extensive experiments show that our method achieves improvements on various tasks including image classification and neural machine translation, and even outperforms state-of-the-art methods on human pose estimation and machine reading comprehension tasks. Code is available at: https://github.com/hunto/ReLoss.
Structure-Aware Transformer Policy for Inhomogeneous Multi-Task Reinforcement Learning
Keywords: Multitask Reinforcement Learning, Modular Reinforcement Learning, Transfer Learning, Transformer, Structural Embedding

Modular Reinforcement Learning, where the agent is assumed to be morphologically structured as a graph, for example composed of limbs and joints, aims to learn a policy that is transferable to a structurally similar but different agent. Compared to traditional Multi-Task Reinforcement Learning, this promising approach allows us to cope with inhomogeneous tasks where the state and action space dimensions differ across tasks. Graph Neural Networks are a natural model for representing the pertinent policies, but a recent work has shown that their multi-hop message passing mechanism is not ideal for conveying important information to other modules and thus a transformer model without morphological information was proposed. In this work, we argue that the morphological information is still very useful and propose a transformer policy model that effectively encodes such information. Specifically, we encode the morphological information in terms of the traversal-based positional embedding and the graph-based relational embedding. We empirically show that the morphological information is crucial for modular reinforcement learning, substantially outperforming prior state-of-the-art methods on multi-task learning as well as transfer learning settings with different state and action space dimensions.
Toward Efficient Low-Precision Training: Data Format Optimization and Hysteresis Quantization
Keywords: low-precision training, quantized training, logarithmic weight, data format optimization, hysteresis quantization

As the complexity and size of deep neural networks continue to increase, low-precision training has been extensively studied in the last few years to reduce hardware overhead. Training performance is largely affected by the numeric formats representing different values in low-precision training, but finding an optimal format typically requires numerous training runs, which is a very time-consuming process. In this paper, we propose a method to efficiently find an optimal format for activations and errors without actual training. We employ this method to determine an 8-bit format suitable for training various models. In addition, we propose hysteresis quantization to suppress undesired fluctuation in quantized weights during training. This scheme enables deeply quantized training using 4-bit weights, exhibiting only 0.2% degradation for ResNet-18 trained on ImageNet.
Knowledge Infused Decoding
Keywords: natural language, decoding, reinforcement learning, knowledge integration, generation

Pre-trained language models (LMs) have been shown to memorize a substantial amount of knowledge from the pre-training corpora; however, they are still limited in recalling factually correct knowledge given a certain context. Hence. they tend to suffer from counterfactual or hallucinatory generation when used in knowledge-intensive natural language generation (NLG) tasks. Recent remedies to this problem focus on modifying either the pre-training or task fine-tuning objectives to incorporate knowledge, which normally require additional costly training or architecture modification of LMs for practical applications.
        
        We present Knowledge Infused Decoding (KID)---a novel decoding algorithm for generative LMs, which dynamically infuses external knowledge into each step of the LM decoding. Specifically, we maintain a local knowledge memory based on the current context, interacting with a dynamically created external knowledge trie, and continuously update the local memory as a knowledge-aware constraint to guide decoding via reinforcement learning. On six diverse knowledge-intensive NLG tasks, task-agnostic LMs (e.g., GPT-2 and BART) armed with KID outperform many task-optimized state-of-the-art models, and show particularly strong performance in few-shot scenarios over seven related knowledge-infusion techniques. Human evaluation confirms KID's ability to generate more relevant and factual language for the input context when compared with multiple baselines. Finally, KID also alleviates exposure bias and provides stable generation quality when generating longer sequences.
Parallel Training of GRU Networks with a Multi-Grid Solver for Long Sequences
Keywords: GRU, MGRIT, parallel-in-time, distributed machine learning

Parallelizing Gated Recurrent Unit (GRU) is a challenging task, as the training procedure of GRU is inherently sequential. Prior efforts to parallelize GRU have largely focused on conventional parallelization strategies such as data-parallel and model-parallel training algorithms. However, when the given sequences are very long, existing approaches are still inevitably performance limited in terms of both training time and model accuracy. In this paper, we present a novel parallel training scheme (called  parallel-in-time) for GRU based on a multigrid reduction in time (MGRIT) solver. MGRIT partitions a sequence into multiple shorter sub-sequences and trains the sub-sequences on different processors in parallel. The key to achieving speedup is a hierarchical correction of the hidden state to accelerate end-to-end communication in both the forward and backward propagation phases of gradient descent. Experimental results on the HMDB51 dataset, where each video is an image sequence, demonstrate that a new parallel training scheme of GRU achieves up to $6.5 \times$ speedup over a serial approach. As efficiency of our new parallelization strategy is associated with the sequence length, our parallel GRU algorithm achieves significant performance improvement as the length of sequence increases. Further, the proposed approach can be applied simultaneously with batch and other forms of model parallelism.
QUERY EFFICIENT DECISION BASED SPARSE ATTACKS AGAINST BLACK-BOX DEEP LEARNING MODELS
Keywords: decision-based attacks, sparse attacks, evolution algorithms, vision transformer, convolutional neural network

Despite our best efforts, deep learning models remain highly vulnerable to even tiny adversarial perturbations applied to the inputs. The ability to extract information from solely the output of a machine learning model to craft adversarial perturbations to black-box models is a practical threat against real-world systems, such as Machine Learning as a Service (MLaaS), particularly $sparse~attacks$. The realization of sparse attacks in black-box settings demonstrates that machine learning models are more vulnerable than we believe. Because, these attacks aim to $minimize~the~number~of~perturbed~pixels$—measured by $l_0$ norm—required to mislead a model by $solely$ observing the decision ($the~predicted~label$) returned to a model query; the so-called $decision-based~setting$. But, such an attack leads to an NP-hard optimization problem. We develop an evolution-based algorithm—$SparseEvo$—for the problem and evaluate it against both convolutional deep neural networks and $vision~transformers$. Notably, vision transformers are yet to be investigated under a decision-based attack setting. SparseEvo requires significantly fewer queries than the state-of-the-art sparse attack $Pointwise$ for both untargeted and targeted attacks. The attack algorithm, although conceptually simple, is competitive with only a limited query budget against the state-of-the-art gradient-based $white-box$ attacks in standard computer vision tasks such as $ImageNet$. Importantly, the query efficient SparseEvo, along with decision-based attacks, in general, raises new questions regarding the safety of deployed systems and poses new directions to study and understand the robustness of machine learning models.
Almost Tight L0-norm Certified Robustness of Top-k Predictions against Adversarial Perturbations

Top-$k$ predictions are used in many real-world applications such as machine learning as a service, recommender systems, and web searches. $\ell_0$-norm adversarial perturbation characterizes an attack that arbitrarily modifies some features of an input such that a classifier makes an incorrect prediction for the perturbed input. $\ell_0$-norm adversarial perturbation is easy to interpret and can be implemented in the physical world. Therefore, certifying  robustness of top-$k$ predictions against $\ell_0$-norm adversarial perturbation is important. However, existing studies either focused on certifying $\ell_0$-norm robustness of top-$1$ predictions or  $\ell_2$-norm robustness of top-$k$ predictions. In this work, we aim to bridge the gap. Our approach is based on randomized smoothing, which builds a provably robust classifier from an arbitrary classifier via randomizing an input. Our major theoretical contribution is an almost tight $\ell_0$-norm certified robustness guarantee for top-$k$ predictions. We empirically evaluate our method on CIFAR10 and ImageNet. For instance, our method can build a classifier that achieves a certified top-3 accuracy of 69.2\% on ImageNet when an attacker can arbitrarily perturb 5 pixels of a testing image.
Proving the Lottery Ticket Hypothesis for Convolutional Neural Networks
Keywords: lottery ticket hypothesis, convolutional neural network, network pruning, random subset sum, random neural network

The lottery ticket hypothesis states that a randomly-initialized neural network contains a small subnetwork which, when trained in isolation, can compete with the performance of the original network. Recent theoretical works proved an even stronger version: every sufficiently overparameterized (dense) neural network contains a subnetwork that, even without training, achieves accuracy comparable to that of the trained large network. These works left as an open problem to extend the result to convolutional neural networks (CNNs).
        In this work we provide such generalization by showing that, with high probability, it is possible to approximate any CNN by pruning a random CNN whose size is larger by a logarithmic factor.
Discovering Nonlinear PDEs from Scarce Data with Physics-encoded Learning
Keywords: Data-driven equation discovery, dynamical system modeling, physics-encoded learning

There have been growing interests in leveraging experimental measurements to discover the underlying partial differential equations (PDEs) that govern complex physical phenomena. Although past research attempts have achieved great success in data-driven PDE discovery, the robustness of the existing methods cannot be guaranteed when dealing with low-quality measurement data. To overcome this challenge, we propose a novel physics-encoded discrete learning framework for discovering spatiotemporal PDEs from scarce and noisy data. The general idea is to (1) firstly introduce a novel deep convolutional-recurrent networks, which can encode prior physics knowledge (e.g., known terms, assumed PDE structure, initial/boundary conditions, etc.) while remaining flexible on representation capability, to accurately reconstruct high-fidelity data, and (2) then perform sparse regression with the reconstructed data to identify the analytical form of the governing PDEs. We validate our proposed framework on three high-dimensional PDE systems. The effectiveness and superiority of the proposed method over baselines are demonstrated.
Rethinking Goal-Conditioned Supervised Learning and Its Connection to Offline RL
Keywords: Goal-conditioned reinforcement learning, offline reinforcement learning, goal-conditioned supervised learning

Solving goal-conditioned tasks with sparse rewards using self-supervised learning is promising because of its simplicity and stability over current reinforcement learning (RL) algorithms. A recent work, called Goal-Conditioned Supervised Learning (GCSL), provides a new learning framework by iteratively relabeling and imitating self-generated experiences. In this paper, we revisit the theoretical property of GCSL --- optimizing a lower bound of the goal reaching objective, and extend GCSL as a novel offline goal-conditioned RL algorithm. The proposed method is named Weighted GCSL (WGCSL), in which we introduce an advanced compound weight consisting of three parts (1) discounted weight for goal relabeling, (2) goal-conditioned exponential advantage weight, and (3) best-advantage weight. Theoretically, WGCSL is proved to optimize an equivalent lower bound of the goal-conditioned RL objective and generates monotonically improved policies via an iterated scheme. The monotonic property holds for any behavior policies, and therefore WGCSL can be applied to both online and offline settings. To evaluate algorithms in the offline goal-conditioned RL setting, we provide a benchmark including a range of point and simulated robot domains. Experiments in the introduced benchmark demonstrate that WGCSL can consistently outperform GCSL and existing state-of-the-art offline methods in the fully offline goal-conditioned setting.
Topologically Regularized Data Embeddings
Keywords: Embedding, Dimensionality Reduction, Topological Data Analysis, Persistent Homology, Optimization, Regularization

Unsupervised feature learning often finds low-dimensional embeddings that capture the structure of complex data.  For tasks for which prior expert topological knowledge is available, incorporating this into the learned representation may lead to higher quality embeddings. For example, this may help one to embed the data into a given number of clusters, or to accommodate for noise that prevents one from deriving the distribution of the data over the model directly, which can then be learned more effectively. However, a general tool for integrating different prior topological knowledge into embeddings is lacking. Although differentiable topology layers have been recently developed that can (re)shape embeddings into prespecified topological models, they have two important limitations for representation learning, which we address in this paper. First, the currently suggested topological losses fail to represent simple models such as clusters and flares in a natural manner. Second, these losses neglect all original structural (such as neighborhood) information in the data that is useful for learning. We overcome these limitations by introducing a new set of topological losses, and proposing their usage as a way for topologically regularizing data embeddings to naturally represent a prespecified model. We include thorough experiments on synthetic and real data that highlight the usefulness and versatility of this approach, with applications ranging from modeling high-dimensional single-cell data, to graph embedding.
PF-GNN: Differentiable particle filtering based approximation of universal graph representations
Keywords: Graph Neural Networks, Graph representation learning, Expressive GNN

Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to extract structural features from the graph. In this work, we propose to make GNNs universal by guiding the learning process with exact isomorphism solver techniques which operate on the paradigm of $\textit{Individualization and refinement}$ (IR), a method to artificially introduce asymmetry and further refine the coloring when 1-WL stops. Isomorphism solvers generate a search-tree of colorings whose leaves uniquely identify the graph. However, the tree grows exponentially large and needs hand-crafted pruning techniques which are not desirable from a learning perspective. We take a probabilistic view and approximate the search tree of colorings ( i.e. embeddings) by sampling multiple paths from root to leaves of the search-tree. To learn more discriminative representations, we guide the sampling process with $\textit{particle filter}$ updates, a principled approach for sequential state estimation. Our algorithm is end-to-end differentiable, can be applied with any GNN as backbone and learns richer graph representations with only linear increase in runtime. Experimental evaluation shows that our approach consistently outperforms leading GNN models on both synthetic benchmarks for isomorphism detection as well as real-world datasets.
Nonlinear ICA Using Volume-Preserving Transformations
Keywords: Independent Component Analysis, Nonlinear ICA, Identifiability

Nonlinear ICA is a fundamental problem in machine learning, aiming to identify the underlying independent components (sources) from data which is assumed to be a nonlinear function (mixing function) of these sources. Recent works prove that if the sources have some particular structures (e.g. temporal structure), they are theoretically identifiable even if the mixing function is arbitrary. However, in many cases such restrictions on the sources are difficult to satisfy or even verify, hence it inhibits the applicability of the proposed methods. Different from these works, we propose a general framework for nonlinear ICA, in which the mixing function is assumed to be a volume-preserving transformation, and meanwhile the conditions on the sources can be much looser. We provide an insightful proof of the identifiability of the proposed framework. We implement the framework by volume-preserving Flow-based models, and verify our theory by experiments on artificial data and synthesized images. Moreover, results on real-world images indicate that our framework can disentangle interpretable features.
Online Ad Hoc Teamwork under Partial Observability
Keywords: coordination, reinforcement learning

Autonomous agents often need to work together as a team to accomplish complex cooperative tasks. Due to privacy and other realistic constraints, agents might need to collaborate with previously unknown teammates on the fly. This problem is known as ad hoc teamwork, which remains a core research challenge. Prior works usually rely heavily on strong assumptions like full observability, fixed and predefined teammates' types. This paper relaxes these assumptions with a novel reinforcement learning framework called ODITS, which allows the autonomous agent to adapt to arbitrary teammates in an online fashion. Instead of limiting teammates into a finite set of predefined types, ODITS automatically learns latent variables of teammates' behaviors to infer how to cooperate with new teammates effectively. To overcome partial observability, we introduce an information-based regularizer to derive proxy representations of the learned variables from local observations. Extensive experimental results show that ODITS significantly outperforms various baselines in widely used ad hoc teamwork tasks.
Continual Normalization: Rethinking Batch Normalization for Online Continual Learning
Keywords: Continual Learning, Batch Normalization

Existing continual learning methods use Batch Normalization (BN) to facilitate training and improve generalization across tasks. However, the non-i.i.d and non-stationary nature of continual learning data, especially in the online setting, amplify the discrepancy between training and testing in BN and hinder the performance of older tasks. In this work, we study the cross-task normalization effect of BN in online continual learning where BN normalizes the testing data using moments biased towards the current task, resulting in higher catastrophic forgetting. This limitation motivates us to propose a simple yet effective method that we call Continual Normalization (CN) to facilitate training similar to BN while mitigating its negative effect. Extensive experiments on different continual learning algorithms and online scenarios show that CN is a direct replacement for BN and can provide substantial performance improvements. Our implementation will be made publicly available upon acceptance.
Equivariant Graph Mechanics Networks with Constraints

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and commonly geometrically-constrained.
        Current methods, particularly the ones based on equivariant Graph Neural Networks (GNNs), have targeted on the first two challenges but remain immature for constrained systems. 
        In this paper, we propose Graph Mechanics Network (GMN) which is combinatorially efficient, equivariant and constraint-aware. The core of GMN is that it represents, by generalized coordinates, the forward kinematics information (positions and velocities) of a structural object. In this manner, the geometrical constraints are implicitly and naturally encoded in the forward kinematics. Moreover, to allow equivariant message passing in GMN, we have developed a general form of orthogonality-equivariant functions, given that the dynamics of constrained systems are more complicated than the unconstrained counterparts. Theoretically, the proposed equivariant formulation is proved to be universally expressive under certain conditions. Extensive experiments  support the advantages of GMN compared to the state-of-the-art GNNs in terms of prediction accuracy, constraint satisfaction and data efficiency on the simulated systems consisting of particles, sticks and hinges, as well as two real-world datasets for molecular dynamics prediction and human motion capture.