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Implicit generative modeling (IGM) aims to produce samples of synthetic data matching the characteristics of a target data distribution. Recent work (e.g. score-matching networks, diffusion models) has approached the IGM problem from the perspective of pushing synthetic source data toward the target distribution via dynamical perturbations or flows in the ambient space. In this direction, we present the score difference (SD) between arbitrary target and source distributions as a flow that optimally reduces the Kullback-Leibler divergence between them while also solving the Schroedinger bridge problem. We apply the SD flow to convenient proxy distributions, which are aligned if and only if the original distributions are aligned. We demonstrate the formal equivalence of this formulation to denoising diffusion models under certain conditions. We also show that the training of generative adversarial networks includes a hidden data-optimization sub-problem, which induces the SD flow under certain choices of loss function when the discriminator is optimal. As a result, the SD flow provides a theoretical link between model classes that individually address the three challenges of the "generative modeling trilemma" -- high sample quality, mode coverage, and fast sampling -- thereby setting the stage for a unified approach.

We consider the problem of sampling transition paths between two given metastable states of a molecular system, e.g. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy barriers separating the states, these transition paths are unlikely to be sampled with standard Molecular Dynamics (MD) simulation. Traditional methods to augment MD with a bias potential to increase the probability of the transition rely on a dimensionality reduction step based on Collective Variables (CVs). Unfortunately, selecting appropriate CVs requires chemical intuition and traditional methods are therefore not always applicable to larger systems. Additionally, when incorrect CVs are used, the bias potential might not be minimal and bias the system along dimensions irrelevant to the transition. Showing a formal relation between the problem of sampling molecular transition paths, the Schr\"odinger bridge problem and stochastic optimal control with neural network policies, we propose a machine learning method for sampling said transitions. Unlike previous non-machine learning approaches our method, named PIPS, does not depend on CVs. We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.

In this paper, we focus on the high-dimensional double sparse structure, where the parameter of interest simultaneously encourages group-wise sparsity and element-wise sparsity in each group. By combining the Gilbert-Varshamov bound and its variants, we develop a novel lower bound technique for the metric entropy of the parameter space, specifically tailored for the double sparse structure over $\ell_u(\ell_q)$-balls with $u,q \in [0,1]$. We prove lower bounds on the estimation error using an information-theoretic approach, leveraging our proposed lower bound technique and Fano's inequality. To complement the lower bounds, we establish matching upper bounds through a direct analysis of constrained least-squares estimators and utilize results from empirical processes. A significant finding of our study is the discovery of a phase transition phenomenon in the minimax rates for $u,q \in (0, 1]$. Furthermore, we extend the theoretical results to the double sparse regression model and determine its minimax rate for estimation error. To tackle double sparse linear regression, we develop the DSIHT (Double Sparse Iterative Hard Thresholding) algorithm, demonstrating its optimality in the minimax sense. Finally, we demonstrate the superiority of our method through numerical experiments.

In this paper, we propose an enhanced approach for Rapid Exploration and eXploitation for AI Agents called REX. Existing AutoGPT-style techniques have inherent limitations, such as a heavy reliance on precise descriptions for decision-making, and the lack of a systematic approach to leverage try-and-fail procedures akin to traditional Reinforcement Learning (RL). REX introduces an additional layer of rewards and integrates concepts similar to Upper Confidence Bound (UCB) scores, leading to more robust and efficient AI agent performance. This approach has the advantage of enabling the utilization of offline behaviors from logs and allowing seamless integration with existing foundation models while it does not require any model fine-tuning. Through comparative analysis with existing methods such as Chain-of-Thoughts(CoT) and Reasoning viA Planning(RAP), REX-based methods demonstrate comparable performance and, in certain cases, even surpass the results achieved by these existing techniques. Notably, REX-based methods exhibit remarkable reductions in execution time, enhancing their practical applicability across a diverse set of scenarios.

In this paper, we develop a MultiTask Learning (MTL) model to achieve dense predictions for comics panels to, in turn, facilitate the transfer of comics from one publication channel to another by assisting authors in the task of reconfiguring their narratives. Our MTL method can successfully identify the semantic units as well as the embedded notion of 3D in comic panels. This is a significantly challenging problem because comics comprise disparate artistic styles, illustrations, layouts, and object scales that depend on the authors creative process. Typically, dense image-based prediction techniques require a large corpus of data. Finding an automated solution for dense prediction in the comics domain, therefore, becomes more difficult with the lack of ground-truth dense annotations for the comics images. To address these challenges, we develop the following solutions: 1) we leverage a commonly-used strategy known as unsupervised image-to-image translation, which allows us to utilize a large corpus of real-world annotations; 2) we utilize the results of the translations to develop our multitasking approach that is based on a vision transformer backbone and a domain transferable attention module; 3) we study the feasibility of integrating our MTL dense-prediction method with an existing retargeting method, thereby reconfiguring comics.

This paper introduces a dual-based algorithm framework for solving the regularized online resource allocation problems, which have potentially non-concave cumulative rewards, hard resource constraints, and a non-separable regularizer. Under a strategy of adaptively updating the resource constraints, the proposed framework only requests approximate solutions to the empirical dual problems up to a certain accuracy and yet delivers an optimal logarithmic regret under a locally second-order growth condition. Surprisingly, a delicate analysis of the dual objective function enables us to eliminate the notorious log-log factor in regret bound. The flexible framework renders renowned and computationally fast algorithms immediately applicable, e.g., dual stochastic gradient descent. Additionally, an infrequent re-solving scheme is proposed, which significantly reduces computational demands without compromising the optimal regret performance. A worst-case square-root regret lower bound is established if the resource constraints are not adaptively updated during dual optimization, which underscores the critical role of adaptive dual variable update. Comprehensive numerical experiments demonstrate the merits of the proposed algorithm framework.

Multiple-input multiple-output (MIMO) has become a key technology for contemporary wireless communication systems. For typical MIMO systems, antenna arrays are separated by half of the signal wavelength, which are termed collocated arrays. In this paper, we ask the following question: For future wireless communication systems, is it possible to achieve better performance than collocated arrays by using sparse arrays, whose element spacing is larger than half wavelength? The answer to this question is not immediately clear since while sparse arrays may achieve narrower beam for the main lobe, they also generate undesired grating lobes. In this paper, we show that the answer to the above question is affirmative. To this end, we first provide an insightful explanation by investigating the key properties of beam patterns of sparse and collocated arrays, together with the typical distribution of spatial angle difference \Delta, which all critically impact the inter-user interference (IUI). In particular, we show that sparse arrays are less likely to experience severe IUI than collocated arrays, since the probability of \Delta typically reduces with the increasing of |\Delta|. This naturally helps to reject those higher-order grating lobes of sparse arrays, especially when users are densely located. Then we provide a rigorous derivation of the achievable data rate for sparse and collocated arrays, and derive the condition under which sparse arrays strictly outperform collocated counterparts. Finally, numerical results are provided to validate our theoretical studies.

Adversarial examples (AEs) for DNNs have been shown to be transferable: AEs that successfully fool white-box surrogate models can also deceive other black-box models with different architectures. Although a bunch of empirical studies have provided guidance on generating highly transferable AEs, many of these findings lack explanations and even lead to inconsistent advice. In this paper, we take a further step towards understanding adversarial transferability, with a particular focus on surrogate aspects. Starting from the intriguing little robustness phenomenon, where models adversarially trained with mildly perturbed adversarial samples can serve as better surrogates, we attribute it to a trade-off between two predominant factors: model smoothness and gradient similarity. Our investigations focus on their joint effects, rather than their separate correlations with transferability. Through a series of theoretical and empirical analyses, we conjecture that the data distribution shift in adversarial training explains the degradation of gradient similarity. Building on these insights, we explore the impacts of data augmentation and gradient regularization on transferability and identify that the trade-off generally exists in the various training mechanisms, thus building a comprehensive blueprint for the regulation mechanism behind transferability. Finally, we provide a general route for constructing better surrogates to boost transferability which optimizes both model smoothness and gradient similarity simultaneously, e.g., the combination of input gradient regularization and sharpness-aware minimization (SAM), validated by extensive experiments. In summary, we call for attention to the united impacts of these two factors for launching effective transfer attacks, rather than optimizing one while ignoring the other, and emphasize the crucial role of manipulating surrogate models.

Efficient exploration is critical in cooperative deep Multi-Agent Reinforcement Learning (MARL). In this work, we propose an exploration method that effectively encourages cooperative exploration based on the idea of sequential action-computation scheme. The high-level intuition is that to perform optimism-based exploration, agents would explore cooperative strategies if each agent's optimism estimate captures a structured dependency relationship with other agents. Assuming agents compute actions following a sequential order at \textit{each environment timestep}, we provide a perspective to view MARL as tree search iterations by considering agents as nodes at different depths of the search tree. Inspired by the theoretically justified tree search algorithm UCT (Upper Confidence bounds applied to Trees), we develop a method called Conditionally Optimistic Exploration (COE). COE augments each agent's state-action value estimate with an action-conditioned optimistic bonus derived from the visitation count of the global state and joint actions of preceding agents. COE is performed during training and disabled at deployment, making it compatible with any value decomposition method for centralized training with decentralized execution. Experiments across various cooperative MARL benchmarks show that COE outperforms current state-of-the-art exploration methods on hard-exploration tasks.

Continuous space species distribution models (SDMs) have a long-standing history as a valuable tool in ecological statistical analysis. Geostatistical and preferential models are both common models in ecology. Geostatistical models are employed when the process under study is independent of the sampling locations, while preferential models are employed when sampling locations are dependent on the process under study. But, what if we have both types of data collectd over the same process? Can we combine them? If so, how should we combine them? This study investigated the suitability of both geostatistical and preferential models, as well as a mixture model that accounts for the different sampling schemes. Results suggest that in general the preferential and mixture models have satisfactory and close results in most cases, while the geostatistical models presents systematically worse estimates at higher spatial complexity, smaller number of samples and lower proportion of completely random samples.