Recent advances in reinforcement learning (RL) algorithms aim to enhance the performance of language models at scale. Yet, there is a noticeable absence of a cost-effective and standardized testbed tailored to evaluating and comparing these algorithms. To bridge this gap, we present a generalized version of the 24-Puzzle: the $(N,K)$-Puzzle, which challenges language models to reach a target value $K$ with $N$ integers. We evaluate the effectiveness of established RL algorithms such as Proximal Policy Optimization (PPO), alongside novel approaches like Identity Policy Optimization (IPO) and Direct Policy Optimization (DPO).
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In biological tasks, data is rarely plentiful as it is generated from hard-to-gather measurements. Therefore, pre-training foundation models on large quantities of available data and then transfer to low-data downstream tasks is a promising direction. However, how to design effective foundation models for molecular learning remains an open question, with existing approaches typically focusing on models with large parameter capacities. In this work, we propose $\texttt{MiniMol}$, a foundational model for molecular learning with 10 million parameters. $\texttt{MiniMol}$ is pre-trained on a mix of roughly 3300 sparsely defined graph- and node-level tasks of both quantum and biological nature. The pre-training dataset includes approximately 6 million molecules and 500 million labels. To demonstrate the generalizability of $\texttt{MiniMol}$ across tasks, we evaluate it on downstream tasks from the Therapeutic Data Commons (TDC) ADMET group showing significant improvements over the prior state-of-the-art foundation model across 17 tasks. $\texttt{MiniMol}$ will be a public and open-sourced model for future research.
No-regret learning has a long history of being closely connected to game theory. Recent works have devised uncoupled no-regret learning dynamics that, when adopted by all the players in normal-form games, converge to various equilibrium solutions at a near-optimal rate of $\widetilde{O}(T^{-1})$, a significant improvement over the $O(1/\sqrt{T})$ rate of classic no-regret learners. However, analogous convergence results are scarce in Markov games, a more generic setting that lays the foundation for multi-agent reinforcement learning. In this work, we close this gap by showing that the optimistic-follow-the-regularized-leader (OFTRL) algorithm, together with appropriate value update procedures, can find $\widetilde{O}(T^{-1})$-approximate (coarse) correlated equilibria in full-information general-sum Markov games within $T$ iterations. Numerical results are also included to corroborate our theoretical findings.
Large language models (LLMs) can adapt to new tasks through in-context learning (ICL) based on a few examples presented in dialogue history without any model parameter update. Despite such convenience, the performance of ICL heavily depends on the quality of the in-context examples presented, which makes the in-context example selection approach a critical choice. This paper proposes a novel Bayesian in-Context example Selection method (ByCS) for ICL. Extending the inference probability conditioned on in-context examples based on Bayes' theorem, ByCS focuses on the inverse inference conditioned on test input. Following the assumption that accurate inverse inference probability (likelihood) will result in accurate inference probability (posterior), in-context examples are selected based on their inverse inference results. Diverse and extensive cross-tasking and cross-modality experiments are performed with speech, text, and image examples. Experimental results show the efficacy and robustness of our ByCS method on various models, tasks and modalities.
Safe reinforcement learning (RL) agents accomplish given tasks while adhering to specific constraints. Employing constraints expressed via easily-understandable human language offers considerable potential for real-world applications due to its accessibility and non-reliance on domain expertise. Previous safe RL methods with natural language constraints typically adopt a recurrent neural network, which leads to limited capabilities when dealing with various forms of human language input. Furthermore, these methods often require a ground-truth cost function, necessitating domain expertise for the conversion of language constraints into a well-defined cost function that determines constraint violation. To address these issues, we proposes to use pre-trained language models (LM) to facilitate RL agents' comprehension of natural language constraints and allow them to infer costs for safe policy learning. Through the use of pre-trained LMs and the elimination of the need for a ground-truth cost, our method enhances safe policy learning under a diverse set of human-derived free-form natural language constraints. Experiments on grid-world navigation and robot control show that the proposed method can achieve strong performance while adhering to given constraints. The usage of pre-trained LMs allows our method to comprehend complicated constraints and learn safe policies without the need for ground-truth cost at any stage of training or evaluation. Extensive ablation studies are conducted to demonstrate the efficacy of each part of our method.
In machine learning (ML), ensemble methods such as bagging, boosting, and stacking are widely-established approaches that regularly achieve top-notch predictive performance. Stacking (also called "stacked generalization") is an ensemble method that combines heterogeneous base models, arranged in at least one layer, and then employs another metamodel to summarize the predictions of those models. Although it may be a highly-effective approach for increasing the predictive performance of ML, generating a stack of models from scratch can be a cumbersome trial-and-error process. This challenge stems from the enormous space of available solutions, with different sets of data instances and features that could be used for training, several algorithms to choose from, and instantiations of these algorithms using diverse parameters (i.e., models) that perform differently according to various metrics. In this work, we present a knowledge generation model, which supports ensemble learning with the use of visualization, and a visual analytics system for stacked generalization. Our system, StackGenVis, assists users in dynamically adapting performance metrics, managing data instances, selecting the most important features for a given data set, choosing a set of top-performant and diverse algorithms, and measuring the predictive performance. In consequence, our proposed tool helps users to decide between distinct models and to reduce the complexity of the resulting stack by removing overpromising and underperforming models. The applicability and effectiveness of StackGenVis are demonstrated with two use cases: a real-world healthcare data set and a collection of data related to sentiment/stance detection in texts. Finally, the tool has been evaluated through interviews with three ML experts.
Large neural network models have become a mainstay of natural language processing and computer vision, yet their initialization and learning rates are set in a largely heuristic fashion, potentially varying from paper to paper and one model size to the next. The $\mu$-Parameterization ($\mu$P) offers a potential solution to these challenges, yielding scaling rules for model initialization and learning rates, and reportedly enabling zero-shot hyperparameter transfer from small to large models in a variety of cases. Despite the evident promise, the $\mu$P scaling rules are not yet widely adopted, perhaps due to higher implementation complexity, many variations, or complex theoretical background. This work investigates $\mu$P empirically, focusing on the ubiquitous transformer architecture, and aims to answer a simple question: does $\mu$-Transfer yield optimal learning rates in practice? Studying models with up to 10B parameters and training budgets of up to 190B tokens, we find $\mu$-Transfer works as intended for the majority of important cases, yet also identify a few cases where it may not. Our experiment codebase is available at //github.com/lucaslingle/mu_transformer/
The problem of answering questions using knowledge from pre-trained language models (LMs) and knowledge graphs (KGs) presents two challenges: given a QA context (question and answer choice), methods need to (i) identify relevant knowledge from large KGs, and (ii) perform joint reasoning over the QA context and KG. In this work, we propose a new model, QA-GNN, which addresses the above challenges through two key innovations: (i) relevance scoring, where we use LMs to estimate the importance of KG nodes relative to the given QA context, and (ii) joint reasoning, where we connect the QA context and KG to form a joint graph, and mutually update their representations through graph neural networks. We evaluate QA-GNN on the CommonsenseQA and OpenBookQA datasets, and show its improvement over existing LM and LM+KG models, as well as its capability to perform interpretable and structured reasoning, e.g., correctly handling negation in questions.
Graph convolution networks (GCN) are increasingly popular in many applications, yet remain notoriously hard to train over large graph datasets. They need to compute node representations recursively from their neighbors. Current GCN training algorithms suffer from either high computational costs that grow exponentially with the number of layers, or high memory usage for loading the entire graph and node embeddings. In this paper, we propose a novel efficient layer-wise training framework for GCN (L-GCN), that disentangles feature aggregation and feature transformation during training, hence greatly reducing time and memory complexities. We present theoretical analysis for L-GCN under the graph isomorphism framework, that L-GCN leads to as powerful GCNs as the more costly conventional training algorithm does, under mild conditions. We further propose L^2-GCN, which learns a controller for each layer that can automatically adjust the training epochs per layer in L-GCN. Experiments show that L-GCN is faster than state-of-the-arts by at least an order of magnitude, with a consistent of memory usage not dependent on dataset size, while maintaining comparable prediction performance. With the learned controller, L^2-GCN can further cut the training time in half. Our codes are available at //github.com/Shen-Lab/L2-GCN.
Meta-reinforcement learning algorithms can enable robots to acquire new skills much more quickly, by leveraging prior experience to learn how to learn. However, much of the current research on meta-reinforcement learning focuses on task distributions that are very narrow. For example, a commonly used meta-reinforcement learning benchmark uses different running velocities for a simulated robot as different tasks. When policies are meta-trained on such narrow task distributions, they cannot possibly generalize to more quickly acquire entirely new tasks. Therefore, if the aim of these methods is to enable faster acquisition of entirely new behaviors, we must evaluate them on task distributions that are sufficiently broad to enable generalization to new behaviors. In this paper, we propose an open-source simulated benchmark for meta-reinforcement learning and multi-task learning consisting of 50 distinct robotic manipulation tasks. Our aim is to make it possible to develop algorithms that generalize to accelerate the acquisition of entirely new, held-out tasks. We evaluate 6 state-of-the-art meta-reinforcement learning and multi-task learning algorithms on these tasks. Surprisingly, while each task and its variations (e.g., with different object positions) can be learned with reasonable success, these algorithms struggle to learn with multiple tasks at the same time, even with as few as ten distinct training tasks. Our analysis and open-source environments pave the way for future research in multi-task learning and meta-learning that can enable meaningful generalization, thereby unlocking the full potential of these methods.
Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.
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