Reinforcement learning (RL) agents are commonly trained and evaluated in the same environment. In contrast, humans often train in a specialized environment before being evaluated, such as studying a book before taking an exam. The potential of such specialized training environments is still vastly underexplored, despite their capacity to dramatically speed up training. The framework of synthetic environments takes a first step in this direction by meta-learning neural network-based Markov decision processes (MDPs). The initial approach was limited to toy problems and produced environments that did not transfer to unseen RL algorithms. We extend this approach in three ways: Firstly, we modify the meta-learning algorithm to discover environments invariant towards hyperparameter configurations and learning algorithms. Secondly, by leveraging hardware parallelism and introducing a curriculum on an agent's evaluation episode horizon, we can achieve competitive results on several challenging continuous control problems. Thirdly, we surprisingly find that contextual bandits enable training RL agents that transfer well to their evaluation environment, even if it is a complex MDP. Hence, we set up our experiments to train synthetic contextual bandits, which perform on par with synthetic MDPs, yield additional insights into the evaluation environment, and can speed up downstream applications.
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PAC learning, dating back to Valiant'84 and Vapnik and Chervonenkis'64,'74, is a classic model for studying supervised learning. In the agnostic setting, we have access to a hypothesis set $\mathcal{H}$ and a training set of labeled samples $(x_1,y_1),\dots,(x_n,y_n) \in \mathcal{X} \times \{-1,1\}$ drawn i.i.d. from an unknown distribution $\mathcal{D}$. The goal is to produce a classifier $h : \mathcal{X} \to \{-1,1\}$ that is competitive with the hypothesis $h^\star_{\mathcal{D}} \in \mathcal{H}$ having the least probability of mispredicting the label $y$ of a new sample $(x,y)\sim \mathcal{D}$. Empirical Risk Minimization (ERM) is a natural learning algorithm, where one simply outputs the hypothesis from $\mathcal{H}$ making the fewest mistakes on the training data. This simple algorithm is known to have an optimal error in terms of the VC-dimension of $\mathcal{H}$ and the number of samples $n$. In this work, we revisit agnostic PAC learning and first show that ERM is in fact sub-optimal if we treat the performance of the best hypothesis, denoted $\tau:=\Pr_{\mathcal{D}}[h^\star_{\mathcal{D}}(x) \neq y]$, as a parameter. Concretely we show that ERM, and any other proper learning algorithm, is sub-optimal by a $\sqrt{\ln(1/\tau)}$ factor. We then complement this lower bound with the first learning algorithm achieving an optimal error for nearly the full range of $\tau$. Our algorithm introduces several new ideas that we hope may find further applications in learning theory.
Graph neural networks (GNN) are vulnerable to adversarial attacks, which aim to degrade the performance of GNNs through imperceptible changes on the graph. However, we find that in fact the prevalent meta-gradient-based attacks, which utilizes the gradient of the loss w.r.t the adjacency matrix, are biased towards training nodes. That is, their meta-gradient is determined by a training procedure of the surrogate model, which is solely trained on the training nodes. This bias manifests as an uneven perturbation, connecting two nodes when at least one of them is a labeled node, i.e., training node, while it is unlikely to connect two unlabeled nodes. However, these biased attack approaches are sub-optimal as they do not consider flipping edges between two unlabeled nodes at all. This means that they miss the potential attacked edges between unlabeled nodes that significantly alter the representation of a node. In this paper, we investigate the meta-gradients to uncover the root cause of the uneven perturbations of existing attacks. Based on our analysis, we propose a Meta-gradient-based attack method using contrastive surrogate objective (Metacon), which alleviates the bias in meta-gradient using a new surrogate loss. We conduct extensive experiments to show that Metacon outperforms existing meta gradient-based attack methods through benchmark datasets, while showing that alleviating the bias towards training nodes is effective in attacking the graph structure.
Speculative decoding is an effective method for lossless acceleration of large language models during inference. It uses a fast model to draft a block of tokens which are then verified in parallel by the target model, and provides a guarantee that the output is distributed identically to a sample from the target model. In prior works, draft verification is performed independently token-by-token. Surprisingly, we show that this approach is not optimal. We propose Block Verification, a simple draft verification algorithm that verifies the entire block jointly and provides additional wall-clock speedup. We prove that the proposed mechanism is optimal in the expected number of tokens produced each iteration and specifically is never worse than the standard token-level verification. Empirically, block verification provides modest but consistent wall-clock speedups over the standard token verification algorithm of 5%-8% in a range of tasks and datasets. Given that block verification does not increase code complexity, maintains the strong lossless guarantee of the standard speculative decoding verification algorithm, cannot deteriorate performance, and, in fact, consistently improves it, it can be used as a good default in speculative decoding implementations.
Large language models (LLMs) demonstrate extraordinary abilities in a wide range of natural language processing (NLP) tasks. In this paper, we show that, beyond text understanding capability, LLMs are capable of processing text layouts that are denoted by spatial markers. They are able to answer questions that require explicit spatial perceiving and reasoning, while a drastic performance drop is observed when the spatial markers from the original data are excluded. We perform a series of experiments with the GPT-3.5, Baichuan2, Llama2 and ChatGLM3 models on various types of layout-sensitive datasets for further analysis. The experimental results reveal that the layout understanding ability of LLMs is mainly introduced by the coding data for pretraining, which is further enhanced at the instruction-tuning stage. In addition, layout understanding can be enhanced by integrating low-cost, auto-generated data approached by a novel text game. Finally, we show that layout understanding ability is beneficial for building efficient visual question-answering (VQA) systems.
Large Language Models (LLMs) have been shown to perform well for many downstream tasks. Transfer learning can enable LLMs to acquire skills that were not targeted during pre-training. In financial contexts, LLMs can sometimes beat well-established benchmarks. This paper investigates how well LLMs perform in the task of forecasting corporate credit ratings. We show that while LLMs are very good at encoding textual information, traditional methods are still very competitive when it comes to encoding numeric and multimodal data. For our task, current LLMs perform worse than a more traditional XGBoost architecture that combines fundamental and macroeconomic data with high-density text-based embedding features.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.
Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the ordering of node neighbors, even when there is a geometric interpretation of the graph vertices that provides an order based on their spatial positions. To remedy this issue, we propose Geometric Graph Convolutional Network (geo-GCN) which uses spatial features to efficiently learn from graphs that can be naturally located in space. Our contribution is threefold: we propose a GCN-inspired architecture which (i) leverages node positions, (ii) is a proper generalisation of both GCNs and Convolutional Neural Networks (CNNs), (iii) benefits from augmentation which further improves the performance and assures invariance with respect to the desired properties. Empirically, geo-GCN outperforms state-of-the-art graph-based methods on image classification and chemical tasks.
We introduce an approach for deep reinforcement learning (RL) that improves upon the efficiency, generalization capacity, and interpretability of conventional approaches through structured perception and relational reasoning. It uses self-attention to iteratively reason about the relations between entities in a scene and to guide a model-free policy. Our results show that in a novel navigation and planning task called Box-World, our agent finds interpretable solutions that improve upon baselines in terms of sample complexity, ability to generalize to more complex scenes than experienced during training, and overall performance. In the StarCraft II Learning Environment, our agent achieves state-of-the-art performance on six mini-games -- surpassing human grandmaster performance on four. By considering architectural inductive biases, our work opens new directions for overcoming important, but stubborn, challenges in deep RL.
Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models, and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across all datasets.
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