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Hyperparameter optimization is critical in modern machine learning, requiring expert knowledge, numerous trials, and high computational and human resources. Despite the advancements in Automated Machine Learning (AutoML), challenges in terms of trial efficiency, setup complexity, and interoperability still persist. To address these issues, we introduce a novel paradigm leveraging Large Language Models (LLMs) to automate hyperparameter optimization across diverse machine learning tasks, which is named AgentHPO (short for LLM Agent-based Hyperparameter Optimization). Specifically, AgentHPO processes the task information autonomously, conducts experiments with specific hyperparameters (HPs), and iteratively optimizes them based on historical trials. This human-like optimization process largely reduces the number of required trials, simplifies the setup process, and enhances interpretability and user trust, compared to traditional AutoML methods. Extensive empirical experiments conducted on 12 representative machine-learning tasks indicate that AgentHPO not only matches but also often surpasses the best human trials in terms of performance while simultaneously providing explainable results. Further analysis sheds light on the strategies employed by the LLM in optimizing these tasks, highlighting its effectiveness and adaptability in various scenarios.

Optimal transport (OT) barycenters are a mathematically grounded way of averaging probability distributions while capturing their geometric properties. In short, the barycenter task is to take the average of a collection of probability distributions w.r.t. given OT discrepancies. We propose a novel algorithm for approximating the continuous Entropic OT (EOT) barycenter for arbitrary OT cost functions. Our approach is built upon the dual reformulation of the EOT problem based on weak OT, which has recently gained the attention of the ML community. Beyond its novelty, our method enjoys several advantageous properties: (i) we establish quality bounds for the recovered solution; (ii) this approach seemlessly interconnects with the Energy-Based Models (EBMs) learning procedure enabling the use of well-tuned algorithms for the problem of interest; (iii) it provides an intuitive optimization scheme avoiding min-max, reinforce and other intricate technical tricks. For validation, we consider several low-dimensional scenarios and image-space setups, including non-Euclidean cost functions. Furthermore, we investigate the practical task of learning the barycenter on an image manifold generated by a pretrained generative model, opening up new directions for real-world applications.

The partial Gromov-Wasserstein (PGW) problem facilitates the comparison of measures with unequal masses residing in potentially distinct metric spaces, thereby enabling unbalanced and partial matching across these spaces. In this paper, we demonstrate that the PGW problem can be transformed into a variant of the Gromov-Wasserstein problem, akin to the conversion of the partial optimal transport problem into an optimal transport problem. This transformation leads to two new solvers, mathematically and computationally equivalent, based on the Frank-Wolfe algorithm, that provide efficient solutions to the PGW problem. We further establish that the PGW problem constitutes a metric for metric measure spaces. Finally, we validate the effectiveness of our proposed solvers in terms of computation time and performance on shape-matching and positive-unlabeled learning problems, comparing them against existing baselines.

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.

Advances in artificial intelligence often stem from the development of new environments that abstract real-world situations into a form where research can be done conveniently. This paper contributes such an environment based on ideas inspired by elementary Microeconomics. Agents learn to produce resources in a spatially complex world, trade them with one another, and consume those that they prefer. We show that the emergent production, consumption, and pricing behaviors respond to environmental conditions in the directions predicted by supply and demand shifts in Microeconomics. We also demonstrate settings where the agents' emergent prices for goods vary over space, reflecting the local abundance of goods. After the price disparities emerge, some agents then discover a niche of transporting goods between regions with different prevailing prices -- a profitable strategy because they can buy goods where they are cheap and sell them where they are expensive. Finally, in a series of ablation experiments, we investigate how choices in the environmental rewards, bartering actions, agent architecture, and ability to consume tradable goods can either aid or inhibit the emergence of this economic behavior. This work is part of the environment development branch of a research program that aims to build human-like artificial general intelligence through multi-agent interactions in simulated societies. By exploring which environment features are needed for the basic phenomena of elementary microeconomics to emerge automatically from learning, we arrive at an environment that differs from those studied in prior multi-agent reinforcement learning work along several dimensions. For example, the model incorporates heterogeneous tastes and physical abilities, and agents negotiate with one another as a grounded form of communication.

With the rise of powerful pre-trained vision-language models like CLIP, it becomes essential to investigate ways to adapt these models to downstream datasets. A recently proposed method named Context Optimization (CoOp) introduces the concept of prompt learning -- a recent trend in NLP -- to the vision domain for adapting pre-trained vision-language models. Specifically, CoOp turns context words in a prompt into a set of learnable vectors and, with only a few labeled images for learning, can achieve huge improvements over intensively-tuned manual prompts. In our study we identify a critical problem of CoOp: the learned context is not generalizable to wider unseen classes within the same dataset, suggesting that CoOp overfits base classes observed during training. To address the problem, we propose Conditional Context Optimization (CoCoOp), which extends CoOp by further learning a lightweight neural network to generate for each image an input-conditional token (vector). Compared to CoOp's static prompts, our dynamic prompts adapt to each instance and are thus less sensitive to class shift. Extensive experiments show that CoCoOp generalizes much better than CoOp to unseen classes, even showing promising transferability beyond a single dataset; and yields stronger domain generalization performance as well. Code is available at //github.com/KaiyangZhou/CoOp.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Knowledge is a formal way of understanding the world, providing a human-level cognition and intelligence for the next-generation artificial intelligence (AI). One of the representations of knowledge is the structural relations between entities. An effective way to automatically acquire this important knowledge, called Relation Extraction (RE), a sub-task of information extraction, plays a vital role in Natural Language Processing (NLP). Its purpose is to identify semantic relations between entities from natural language text. To date, there are several studies for RE in previous works, which have documented these techniques based on Deep Neural Networks (DNNs) become a prevailing technique in this research. Especially, the supervised and distant supervision methods based on DNNs are the most popular and reliable solutions for RE. This article 1)introduces some general concepts, and further 2)gives a comprehensive overview of DNNs in RE from two points of view: supervised RE, which attempts to improve the standard RE systems, and distant supervision RE, which adopts DNNs to design the sentence encoder and the de-noise method. We further 3)cover some novel methods and describe some recent trends and discuss possible future research directions for this task.

Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.