After the recent ground-breaking advances in protein structure prediction, one of the remaining challenges in protein machine learning is to reliably predict distributions of structural states. Parametric models of fluctuations are difficult to fit due to complex covariance structures between degrees of freedom in the protein chain, often causing models to either violate local or global structural constraints. In this paper, we present a new strategy for modelling protein densities in internal coordinates, which uses constraints in 3D space to induce covariance structure between the internal degrees of freedom. We illustrate the potential of the procedure by constructing a variational autoencoder with full covariance output induced by the constraints implied by the conditional mean in 3D, and demonstrate that our approach makes it possible to scale density models of internal coordinates to full protein backbones in two settings: 1) a unimodal setting for proteins exhibiting small fluctuations and limited amounts of available data, and 2) a multimodal setting for larger conformational changes in a high data regime.

Is there a canonical way to think of agency beyond reward maximisation? In this paper, we show that any type of behaviour complying with physically sound assumptions about how macroscopic biological agents interact with the world canonically integrates exploration and exploitation in the sense of minimising risk and ambiguity about states of the world. This description, known as active inference, refines the free energy principle, a popular descriptive framework for action and perception originating in neuroscience. Active inference provides a normative Bayesian framework to simulate and model agency that is widely used in behavioural neuroscience, reinforcement learning (RL) and robotics. The usefulness of active inference for RL is three-fold. \emph{a}) Active inference provides a principled solution to the exploration-exploitation dilemma that usefully simulates biological agency. \emph{b}) It provides an explainable recipe to simulate behaviour, whence behaviour follows as an explainable mixture of exploration and exploitation under a generative world model, and all differences in behaviour are explicit in differences in world model. \emph{c}) This framework is universal in the sense that it is theoretically possible to rewrite any RL algorithm conforming to the descriptive assumptions of active inference as an active inference algorithm. Thus, active inference can be used as a tool to uncover and compare the commitments and assumptions of more specific models of agency.

In this paper, we leverage a multi-agent reinforcement learning (MARL) framework to jointly learn a computation offloading decision and multichannel access policy with corresponding signaling. Specifically, the base station and industrial Internet of Things mobile devices are reinforcement learning agents that need to cooperate to execute their computation tasks within a deadline constraint. We adopt an emergent communication protocol learning framework to solve this problem. The numerical results illustrate the effectiveness of emergent communication in improving the channel access success rate and the number of successfully computed tasks compared to contention-based, contention-free, and no-communication approaches. Moreover, the proposed task offloading policy outperforms remote and local computation baselines.

Evaluating large language models (LLMs) as general-purpose agents is essential for understanding their capabilities and facilitating their integration into practical applications. However, the evaluation process presents substantial challenges. A primary obstacle is the benchmarking of agent performance across diverse scenarios within a unified framework, especially in maintaining partially-observable environments and ensuring multi-round interactions. Moreover, current evaluation frameworks mostly focus on the final success rate, revealing few insights during the process and failing to provide a deep understanding of the model abilities. To address these challenges, we introduce AgentBoard, a pioneering comprehensive benchmark and accompanied open-source evaluation framework tailored to analytical evaluation of LLM agents. AgentBoard offers a fine-grained progress rate metric that captures incremental advancements as well as a comprehensive evaluation toolkit that features easy assessment of agents for multi-faceted analysis through interactive visualization. This not only sheds light on the capabilities and limitations of LLM agents but also propels the interpretability of their performance to the forefront. Ultimately, AgentBoard serves as a significant step towards demystifying agent behaviors and accelerating the development of stronger LLM agents.

Recent advances in multi-agent reinforcement learning (MARL) are enabling impressive coordination in heterogeneous multi-robot teams. However, existing approaches often overlook the challenge of generalizing learned policies to teams of new compositions, sizes, and robots. While such generalization might not be important in teams of virtual agents that can retrain policies on-demand, it is pivotal in multi-robot systems that are deployed in the real-world and must readily adapt to inevitable changes. As such, multi-robot policies must remain robust to team changes -- an ability we call adaptive teaming. In this work, we investigate if awareness and communication of robot capabilities can provide such generalization by conducting detailed experiments involving an established multi-robot test bed. We demonstrate that shared decentralized policies, that enable robots to be both aware of and communicate their capabilities, can achieve adaptive teaming by implicitly capturing the fundamental relationship between collective capabilities and effective coordination. Videos of trained policies can be viewed at: https://sites.google.com/view/cap-comm

In the modern transportation industry, accurate prediction of travelers' next destinations brings multiple benefits to companies, such as customer satisfaction and targeted marketing. This study focuses on developing a precise model that captures the sequential patterns and dependencies in travel data, enabling accurate predictions of individual travelers' future destinations. To achieve this, a novel model architecture with a sliding window approach based on Long Short-Term Memory (LSTM) is proposed for destination prediction in the transportation industry. The experimental results highlight satisfactory performance and high scores achieved by the proposed model across different data sizes and performance metrics. This research contributes to advancing destination prediction methods, empowering companies to deliver personalized recommendations and optimize customer experiences in the dynamic travel landscape.

The remarkable progress in Large Language Models (LLMs) opens up new avenues for addressing planning and decision-making problems in Multi-Agent Systems (MAS). However, as the number of agents increases, the issues of hallucination in LLMs and coordination in MAS have become increasingly prominent. Additionally, the efficient utilization of tokens emerges as a critical consideration when employing LLMs to facilitate the interactions among a substantial number of agents. In this paper, we develop a modular framework called LLaMAC to mitigate these challenges. LLaMAC implements a value distribution encoding similar to that found in the human brain, utilizing internal and external feedback mechanisms to facilitate collaboration and iterative reasoning among its modules. Through evaluations involving system resource allocation and robot grid transportation, we demonstrate the considerable advantages afforded by our proposed approach.

Optimal management of cross-asset infrastructure is a complex problem that requires adept inspection and maintenance policies addressing stochastic degradation impacts. According to the 2021 ASCE infrastructure report card [1], the US infrastructure is in fair to poor condition, earning a cumulative grade of C-, with components nearing the end of their useful lives and at high risk of failure. Pavements and bridges are indicative examples of inadequate infrastructure. One in every five miles of pavements is in poor condition, and 7.5% of bridges are structurally deficient. Economic analyses indicate that the US Department of Transportation fell 50% short of the funds required to sustain the national transportation system [1], which is also reflected in the available resources at individual State transportation agencies. The Virginia Department of Transportation, for example, reported that 50% of the State's bridges have exceeded their useful lives, and the required funds to replace them are five times greater than the estimated available funds over the next fifty years [2]. Inspection and Maintenance (I&M) policies are therefore indispensable towards efficiently distributing available economic and environmental resources for transportation systems. Making optimal decisions in complex and uncertain environments presents a variety of difficulties, including heterogeneity of asset classes, a high number of components resulting in vast state and action spaces, unreliable observations, limited availability of resources, and several related risks. Optimal solutions that define inspection and maintenance policies should thus incorporate concepts such as (i) online and offline data learning, (ii) imperfect information support, (iii) stochastic action outcomes considerations, and (iv) optimization of long-term goals under multiple constraints (e.g., safety targets or resource constraints).

Abstract--Multi-legged robots offer enhanced stability in complex terrains, yet autonomously learning natural and robust motions in such environments remains challenging. Drawing inspiration from animals' progressive learning patterns, from simple to complex tasks, we introduce a universal two-stage learning framework with two-step reward setting based on self-acquired experience, which efficiently enables legged robots to incrementally learn natural and robust movements. In the first stage, robots learn through gait-related rewards to track velocity on flat terrain, acquiring natural, robust movements and generating effective motion experience data. In the second stage, mirroring animal learning from existing experiences, robots learn to navigate challenging terrains with natural and robust movements using adversarial imitation learning. To demonstrate our method's efficacy, we trained both quadruped robots and a hexapod robot, and the policy were successfully transferred to a physical quadruped robot GO1, which exhibited natural gait patterns and remarkable robustness in various terrains.

Strategies synthesized using formal methods can be complex and often require infinite memory, which does not correspond to the expected behavior when trying to model Multi-Agent Systems (MAS). To capture such behaviors, natural strategies are a recently proposed framework striking a balance between the ability of agents to strategize with memory and the model-checking complexity, but until now has been restricted to fully deterministic settings. For the first time, we consider the probabilistic temporal logics PATL and PATL* under natural strategies (NatPATL and NatPATL*, resp.). As main result we show that, in stochastic MAS, NatPATL model-checking is NP-complete when the active coalition is restricted to deterministic strategies. We also give a 2NEXPTIME complexity result for NatPATL* with the same restriction. In the unrestricted case, we give an EXPSPACE complexity for NatPATL and 3EXPSPACE complexity for NatPATL*.