Inverse folding models have proven to be highly effective zero-shot predictors of protein stability. Despite this success, the link between the amino acid preferences of an inverse folding model and the free-energy considerations underlying thermodynamic stability remains incompletely understood. A better understanding would be of interest not only from a theoretical perspective, but also potentially provide the basis for stronger zero-shot stability prediction. In this paper, we take steps to clarify the free-energy foundations of inverse folding models. Our derivation reveals the standard practice of likelihood ratios as a simplistic approximation and suggests several paths towards better estimates of the relative stability. We empirically assess these approaches and demonstrate that considerable gains in zero-shot performance can be achieved with fairly simple means.

While deep neural networks possess the capability to perform semantic segmentation, producing a single deterministic output limits reliability in safety-critical applications caused by uncertainty and annotation variability. To address this, stochastic segmentation models using Conditional Variational Autoencoders (CVAE), Bayesian networks, and diffusion have been explored. However, existing approaches suffer from limited latent expressiveness and interpretability. Furthermore, our experiments showed that models like Probabilistic U-Net rely excessively on high latent variance, leading to posterior collapse. This work propose a novel framework by integrating Gaussian Mixture Model (GMM) with Normalizing Flow (NF) in CVAE for stochastic segmentation. GMM structures the latent space into meaningful semantic clusters, while NF captures feature deformations with quantified uncertainty. Our method stabilizes latent distributions through constrained variance and mean ranges. Experiments on LIDC, Crack500, and Cityscapes datasets show that our approach outperformed state-of-the-art in curvilinear structure and medical image segmentation.

Open-world reinforcement learning challenges agents to develop intelligent behavior in vast exploration spaces. Recent approaches like LS-Imagine have advanced the field by extending imagination horizons through jumpy state transitions, yet remain limited by fixed exploration mechanisms and static jump thresholds that cannot adapt across changing task phases, resulting in inefficient exploration and lower completion rates. Humans demonstrate remarkable capabilities in openworld decision-making through a chain-like process of task decomposition, selective memory utilization, and adaptive uncertainty regulation. Inspired by human decision-making processes, we present Cognitive Predictive Processing (CPP), a novel framework that integrates three neurologically-inspired systems: a phaseadaptive cognitive controller that dynamically decomposes tasks into exploration, approach, and completion phases with adaptive parameters; a dual-memory integration system implementing dual-modal memory that balances immediate context with selective long-term storage; and an uncertainty-modulated prediction regulator that continuously updates environmental predictions to modulate exploration behavior. Comprehensive experiments in MineDojo demonstrate that these humaninspired decision-making strategies enhance performance over recent techniques, with success rates improving by an average of 4.6% across resource collection tasks while reducing task completion steps by an average of 7.1%. Our approach bridges cognitive neuroscience and reinforcement learning, excelling in complex scenarios that require sustained exploration and strategic adaptation while demonstrating how neural-inspired models can solve key challenges in open-world AI systems.

The Restricted Boltzmann Machine (RBM) is one of the simplest generative neural networks capable of learning input distributions. Despite its simplicity, the analysis of its performance in learning from the training data is only well understood in cases that essentially reduce to singular value decomposition of the data. Here, we consider the limit of a large dimension of the input space and a constant number of hidden units. In this limit, we simplify the standard RBM training objective into a form that is equivalent to the multi-index model with non-separable regularization. This opens a path to analyze training of the RBM using methods that are established for multi-index models, such as Approximate Message Passing (AMP) and its state evolution, and the analysis of Gradient Descent (GD) via the dynamical mean-field theory. We then give rigorous asymptotics of the training dynamics of RBMs on data generated by the spiked covariance model as a prototype of a structure suitable for unsupervised learning. We show in particular that RBMs reach the optimal computational weak recovery threshold, aligning with the Baik-Ben Arous-Péché (BBP) transition, in the spiked covariance model.

Vehicle trajectory prediction serves as a critical enabler for autonomous navigation and intelligent transportation systems. While existing approaches predominantly focus on pattern extraction and vehicle-environment interaction modeling, they exhibit a fundamental limitation in addressing trajectory heterogeneity originating from human driving styles. This oversight constrains prediction reliability in complex real-world scenarios. To bridge this gap, we propose the Driving-StyleAdaptive (DSA) framework, which establishes the first systematic integration of heterogeneous driving behaviors into trajectory prediction models. Specifically, our framework employs a set of basis functions tailored to each driving style to approximate the trajectory patterns. By dynamically combining and adaptively adjusting the degree of these basis functions, DSA not only enhances prediction accuracy but also provides explanations insights into the prediction process. Extensive experiments on public real-world datasets demonstrate that the DSA framework outperforms state-of-the-art methods.

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Verifiers can improve language model (LM) capabilities by providing feedback or selecting the best response from a pool of generated candidates. Currently, high-quality verifiers are either unscalable (e.g., humans) or limited in utility (e.g., tools like Lean for formal proofs). While LM judges and reward models have become broadly useful as general-purpose verifiers, a significant performance gap remains between them and oracle verifiers. To help close this gap, we introduce WEAVER, a framework for designing a strong verifier by combining multiple weak, imperfect verifiers. First we find that weighted ensembles of verifiers, which typically require learning from labeled data, significantly outperform unweighted combinations due to differences in the verifiers. To reduce the dependency on labeled data, WEAVER leverages weak supervision to estimate each verifier's accuracy and combines their outputs into a unified score that better reflects true response quality.

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Recent advancements in diffusion policies have demonstrated promising performance in decision-making tasks. To align these policies with human preferences, a common approach is incorporating Preference-based Reinforcement Learning (PbRL) into policy tuning. However, since preference data is practically collected from populations with different backgrounds, a key challenge lies in handling the inherent uncertainties in people's preferences during policy updates. To address this challenge, we propose the Diff-UAPA algorithm, designed for uncertainty-aware preference alignment in diffusion policies. Specifically, Diff-UAPA introduces a novel iterative preference alignment framework in which the diffusion policy adapts incrementally to preferences from different user groups. To accommodate this online learning paradigm, Diff-UAPA employs a maximum posterior objective, which aligns the diffusion policy with regret-based preferences under the guidance of an informative Beta prior. This approach enables direct optimization of the diffusion policy without specifying any reward functions, while effectively mitigating the influence of inconsistent preferences across different user groups. We conduct extensive experiments across both simulated and real-world robotics tasks, and diverse human preference configurations, demonstrating the robustness and reliability of Diff-UAPA in achieving effective preference alignment.

In this work, we prove that agents capable of adapting to distribution shifts must have learned the causal model of their environment even in the presence of mediation. This term describes situations where an agent's actions affect its environment, a dynamic common to most real-world settings. For example, a robot in an industrial plant might interact with tools, move through space, and transform products to complete its task. We introduce an algorithm for eliciting causal knowledge from robust agents using optimal policy oracles, with the flexibility to incorporate prior causal knowledge. We further demonstrate its effectiveness in mediated singleagent scenarios and multi-agent environments. We identify conditions under which the presence of a single robust agent is sufficient to recover the full causal model and derive optimal policies for other agents in the same environment. Finally, we show how to apply these results to sequential decision-making tasks modeled as Partially Observable Markov Decision Processes (POMDPs).