Offline Black-Box Optimization (BBO) aims at optimizing a black-box function using the knowledge from a pre-collected offline dataset of function values and corresponding input designs. However, the high-dimensional and highly-multimodal input design space of black-box function pose inherent challenges for most existing methods that model and operate directly upon input designs. These issues include but are not limited to high sample complexity, which relates to inaccurate approximation of black-box function; and insufficient coverage and exploration of input design modes, which leads to suboptimal proposal of new input designs. In this work, we consider finding a latent space that serves as a compressed yet accurate representation of the design-value joint space, enabling effective latent exploration of high-value input design modes. To this end, we formulate an learnable energy-based latent space, and propose Noise-intensified Telescoping density-Ratio Estimation (NTRE) scheme for variational learning of an accurate latent space model without costly Markov Chain Monte Carlo. The optimization process is then exploration of high-value designs guided by the learned energy-based model in the latent space, formulated as gradient-based sampling from a latent-variable-parameterized inverse model. We show that our particular parameterization encourages expanded exploration around high-value design modes, motivated by inversion thinking of a fundamental result of conditional covariance matrix typically used for variance reduction. We observe that our method, backed by an accurately learned informative latent space and an expanding-exploration model design, yields significant improvements over strong previous methods on both synthetic and real world datasets such as the design-bench suite.

We address the challenge of multi-agent cooperation, where agents achieve a common goal by interacting with a 3D scene and cooperating with decentralized agents under complex partial observations. This involves managing communication costs and optimizing interaction trajectories in dynamic environments. Our research focuses on three primary limitations of existing cooperative agent systems. Firstly, current systems demonstrate inefficiency in managing acquired information through observation, resulting in declining planning performance as the environment becomes more complex with additional objects or goals. Secondly, the neglect of false plans in partially observable settings leads to suboptimal cooperative performance, as agents struggle to adapt to environmental changes influenced by the unseen actions of other agents. Lastly, the failure to incorporate spatial data into decision-making processes restricts the agent's ability to construct optimized trajectories. To overcome these limitations, we propose the RElevance and Validation-Enhanced Cooperative Language Agent (REVECA), a novel cognitive architecture powered by GPT-3.5. REVECA leverages relevance assessment, plan validation, and spatial information to enhance the efficiency and robustness of agent cooperation in dynamic and partially observable environments while minimizing continuous communication costs and effectively managing irrelevant dummy objects. Our extensive experiments demonstrate the superiority of REVECA over previous approaches, including those driven by GPT-4.0. Additionally, a user study highlights REVECA's potential for achieving trustworthy human-AI cooperation. We expect that REVECA will have significant applications in gaming, XR applications, educational tools, and humanoid robots, contributing to substantial economic, commercial, and academic advancements.

Posets are discrete mathematical structures which are ubiquitous in a broad range of data analysis and machine learning applications. Research connecting posets to the data science domain has been ongoing for many years. In this paper, a comprehensive review of a wide range of studies on data analysis and machine learning using posets are examined in terms of their theory, algorithms and applications. In addition, the applied lattice theory domain of formal concept analysis will also be highlighted in terms of its machine learning applications.

We study convergence rates of Hamiltonian Monte Carlo (HMC) algorithms with leapfrog integration under mild conditions on stochastic gradient oracle for the target distribution (SGHMC). Our method extends standard HMC by allowing the use of general auxiliary distributions, which is achieved by a novel procedure of Alternating Directions. The convergence analysis is based on the investigations of the Dirichlet forms associated with the underlying Markov chain driving the algorithms. For this purpose, we provide a detailed analysis on the error of the leapfrog integrator for Hamiltonian motions with both the kinetic and potential energy functions in general form. We characterize the explicit dependence of the convergence rates on key parameters such as the problem dimension, functional properties of both the target and auxiliary distributions, and the quality of the oracle.

Aligning generative models with human preference via RLHF typically suffers from overoptimization, where an imperfectly learned reward model can misguide the generative model to output undesired responses. We investigate this problem in a principled manner by identifying the source of the misalignment as a form of distributional shift and uncertainty in learning human preferences. To mitigate overoptimization, we first propose a theoretical algorithm that chooses the best policy for an adversarially chosen reward model; one that simultaneously minimizes the maximum likelihood estimation of the loss and a reward penalty term. Here, the reward penalty term is introduced to prevent the policy from choosing actions with spurious high proxy rewards, resulting in provable sample efficiency of the algorithm under a partial coverage style condition. Moving from theory to practice, the proposed algorithm further enjoys an equivalent but surprisingly easy-to-implement reformulation. Using the equivalence between reward models and the corresponding optimal policy, the algorithm features a simple objective that combines: (i) a preference optimization loss that directly aligns the policy with human preference, and (ii) a supervised learning loss that explicitly imitates the policy with a (suitable) baseline distribution. In the context of aligning large language models (LLM), this objective fuses the direct preference optimization (DPO) loss with the supervised fune-tuning (SFT) loss to help mitigate the overoptimization towards undesired responses, for which we name the algorithm Regularized Preference Optimization (RPO). Experiments of aligning LLMs demonstrate the improved performance of RPO compared with DPO baselines. Our work sheds light on the interplay between preference optimization and SFT in tuning LLMs with both theoretical guarantees and empirical evidence.

One of the inherent challenges in deploying transformers on time series is that \emph{reality only happens once}; namely, one typically only has access to a single trajectory of the data-generating process comprised of non-i.i.d. observations. We derive non-asymptotic statistical guarantees in this setting through bounds on the \textit{generalization} of a transformer network at a future-time $t$, given that it has been trained using $N\le t$ observations from a single perturbed trajectory of a Markov process. Under the assumption that the Markov process satisfies a log-Sobolev inequality, we obtain a generalization bound which effectively converges at the rate of ${O}(1/\sqrt{N})$. Our bound depends explicitly on the activation function ($\operatorname{Swish}$, $\operatorname{GeLU}$, or $\tanh$ are considered), the number of self-attention heads, depth, width, and norm-bounds defining the transformer architecture. Our bound consists of three components: (I) The first quantifies the gap between the stationary distribution of the data-generating Markov process and its distribution at time $t$, this term converges exponentially to $0$. (II) The next term encodes the complexity of the transformer model and, given enough time, eventually converges to $0$ at the rate ${O}(\log(N)^r/\sqrt{N})$ for any $r>0$. (III) The third term guarantees that the bound holds with probability at least $1$-$\delta$, and converges at a rate of ${O}(\sqrt{\log(1/\delta)}/\sqrt{N})$.

We consider offline reinforcement learning (RL) in $H$-horizon Markov decision processes (MDPs) under the linear $q^\pi$-realizability assumption, where the action-value function of every policy is linear with respect to a given $d$-dimensional feature function. The hope in this setting is that learning a good policy will be possible without requiring a sample size that scales with the number of states in the MDP. Foster et al. [2021] have shown this to be impossible even under $\textit{concentrability}$, a data coverage assumption where a coefficient $C_\text{conc}$ bounds the extent to which the state-action distribution of any policy can veer off the data distribution. However, the data in this previous work was in the form of a sequence of individual transitions. This leaves open the question of whether the negative result mentioned could be overcome if the data was composed of sequences of full trajectories. In this work we answer this question positively by proving that with trajectory data, a dataset of size $\text{poly}(d,H,C_\text{conc})/\epsilon^2$ is sufficient for deriving an $\epsilon$-optimal policy, regardless of the size of the state space. The main tool that makes this result possible is due to Weisz et al. [2023], who demonstrate that linear MDPs can be used to approximate linearly $q^\pi$-realizable MDPs. The connection to trajectory data is that the linear MDP approximation relies on "skipping" over certain states. The associated estimation problems are thus easy when working with trajectory data, while they remain nontrivial when working with individual transitions. The question of computational efficiency under our assumptions remains open.

The purpose of class distribution estimation (also known as quantification) is to determine the values of the prior class probabilities in a test dataset without class label observations. A variety of methods to achieve this have been proposed in the literature, most of them based on the assumption that the distributions of the training and test data are related through prior probability shift (also known as label shift). Among these methods, Friedman's method has recently been found to perform relatively well both for binary and multi-class quantification. We discuss the properties of Friedman's method and another approach mentioned by Friedman (called DeBias method in the literature) in the context of a general framework for designing linear equation systems for class distribution estimation.

Machine learning (ML) provides algorithms to create computer programs based on data without explicitly programming them. In business process management (BPM), ML applications are used to analyse and improve processes efficiently. Three frequent examples of using ML are providing decision support through predictions, discovering accurate process models, and improving resource allocation. This paper organises the body of knowledge on ML in BPM. We extract BPM tasks from different literature streams, summarise them under the phases of a process`s lifecycle, explain how ML helps perform these tasks and identify technical commonalities in ML implementations across tasks. This study is the first exhaustive review of how ML has been used in BPM. We hope that it can open the door for a new era of cumulative research by helping researchers to identify relevant preliminary work and then combine and further develop existing approaches in a focused fashion. Our paper helps managers and consultants to find ML applications that are relevant in the current project phase of a BPM initiative, like redesigning a business process. We also offer - as a synthesis of our review - a research agenda that spreads ten avenues for future research, including applying novel ML concepts like federated learning, addressing less regarded BPM lifecycle phases like process identification, and delivering ML applications with a focus on end-users.

Skills are effective temporal abstractions established for sequential decision making tasks, which enable efficient hierarchical learning for long-horizon tasks and facilitate multi-task learning through their transferability. Despite extensive research, research gaps remain in multi-agent scenarios, particularly for automatically extracting subgroup coordination patterns in a multi-agent task. In this case, we propose two novel auto-encoder schemes: VO-MASD-3D and VO-MASD-Hier, to simultaneously capture subgroup- and temporal-level abstractions and form multi-agent skills, which firstly solves the aforementioned challenge. An essential algorithm component of these schemes is a dynamic grouping function that can automatically detect latent subgroups based on agent interactions in a task. Notably, our method can be applied to offline multi-task data, and the discovered subgroup skills can be transferred across relevant tasks without retraining. Empirical evaluations on StarCraft tasks indicate that our approach significantly outperforms existing methods regarding applying skills in multi-agent reinforcement learning (MARL). Moreover, skills discovered using our method can effectively reduce the learning difficulty in MARL scenarios with delayed and sparse reward signals.