Learning Graphical Models
Domain Adaptation for and Real Policy Co Training
Behavior cloning has shown promise for robot manipulation, but real-world demonstrations are costly to acquire at scale. While simulated data offers a scalable alternative, particularly with advances in automated demonstration generation, transferring policies to the real world is hampered by various simulation and real domain gaps. In this work, we propose a unified sim-and-real co-training framework for learning generalizable manipulation policies that primarily leverages simulation and only requires a few real-world demonstrations. Central to our approach is learning a domain-invariant, task-relevant feature space. Our key insight is that aligning the joint distributions of observations and their corresponding actions across domains provides a richer signal than aligning observations (marginals) alone. We achieve this by embedding an Optimal Transport (OT)-inspired loss within the co-training framework, and extend this to an Unbalanced OT framework to handle the imbalance between abundant simulation data and limited real-world examples. We validate our method on challenging manipulation tasks, showing it can leverage abundant simulation data to achieve up to a 30% improvement in the real-world success rate and even generalize to scenarios seen only in simulation.
Cascaded Language Models for Cost-Effective Human-AI Decision-Making
A challenge in human-AI decision-making is to balance three factors: the correctness of predictions, the cost of knowledge and reasoning complexity, and the confidence about whether to abstain from automated answers or escalate to human experts. In this work, we present a cascaded LLM decision framework that adaptively delegates tasks across multiple tiers of expertise - a base model for initial candidate answers, a more capable and knowledgeable (but costlier) large model, and a human expert for when the model cascade abstains.
Multiscale guidance of protein structure prediction with heterogeneous cryo-EM data
Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational diversity of dynamic biomolecular complexes, often requiring heuristic MSA subsampling approaches for generating alternative states. In parallel, cryo-electron microscopy (cryo-EM) has emerged as a powerful tool for imaging near-native structural heterogeneity, but is challenged by arduous pipelines to transform raw experimental data into atomic models. Here, we bridge the gap between these modalities, combining cryo-EM density maps with the rich sequence and biophysical priors learned by protein structure prediction models. Our method, CryoBoltz, guides the sampling trajectory of a pretrained biomolecular structure prediction model using both global and local structural constraints derived from density maps, driving predictions towards conformational states consistent with the experimental data. We demonstrate that this flexible yet powerful inferencetime approach allows us to build atomic models into heterogeneous cryo-EM maps across a variety of dynamic biomolecular systems including transporters and antibodies.
Hippocampal-like Sequential Editing for Continual Knowledge Updates in Large Language Models
Large language models (LLMs) are now pivotal in real-world applications. Model editing has emerged as a promising paradigm for efficiently modifying LLMs without full retraining. However, current editing approaches face significant limitations due to parameter drift, which stems from inconsistencies between newly edited knowledge and the model's existing knowledge. In sequential editing scenarios, cumulative drifts progressively lead to model collapse characterized by general capability degradation and balance between acquiring new knowledge and catastrophic forgetting of existing knowledge. Drawing inspiration from the hippocampal trisynaptic circuit for continual memorizing and forgetting, we propose a Hippocampal-like Sequential Editing (HSE) framework that designs the unlearning of obsolete knowledge, domain-specific knowledge update separation and replay for edited knowledge. Specifically, the HSE framework designs three core mechanisms: (1) Machine unlearning selectively erases outdated knowledge to facilitate integration of new information, (2) Fisher information matrix-guided parameter updates prevents cross-domain knowledge interference, and (3) Parameter replay consolidates long-term editing memory through lightweight and global replay of editing data in a parametric form. Theoretical analysis demonstrates that HSE achieves smaller generalization error bounds, more stable convergence and higher computational efficiency.
The Quotient Bayesian Learning Rule
This paper introduces the Quotient Bayesian Learning Rule, an extension of natural-gradient Bayesian updates to probability models that fall outside the exponential family. Building on the observation that many heavy-tailed and otherwise non-exponential distributions arise as marginals of minimal exponential families, we prove that such marginals inherit a unique Fisher-Rao information geometry via the quotient-manifold construction. Exploiting this geometry, we derive the Quotient Natural Gradient algorithm, which takes steepest-descent steps in the well-structured covering space, thereby guaranteeing parameterization-invariant optimization in the target space. Empirical results on the Student-t distribution confirm that our method converges more rapidly and attains higher-quality solutions than previous variants of the Bayesian Learning Rule.
Reliably Detecting Model Failures in Deployment Without Labels
The distribution of data changes over time; models operating in dynamic environments need retraining. But knowing when to retrain, without access to labels, is an open challenge since some, but not all shifts degrade model performance. This paper formalizes and addresses the problem of post-deployment deterioration (PDD) monitoring. We propose D3M, a practical and efficient monitoring algorithm based on the disagreement of predictive models, achieving low false positive rates under non-deteriorating shifts and provides sample complexity bounds for high true positive rates under deteriorating shifts. Empirical results on both standard benchmark and a real-world large-scale internal medicine dataset demonstrate the effectiveness of the framework and highlight its viability as an alert mechanism for high-stakes machine learning pipelines.
Partner Modelling Emerges in Recurrent Agents (But Only When It Matters)
Humans are remarkably adept at collaboration, able to infer the strengths and weaknesses of new partners in order to work successfully towards shared goals. To build AI systems with this capability, we must first understand its building blocks: does such flexibility require explicit, dedicated mechanisms for modelling others--or can it emerge spontaneously from the pressures of open-ended cooperative interaction? To investigate this question, we train simple model-free RNN agents to collaborate with a population of diverse partners. Using the'Overcooked-AI' environment, we collect data from thousands of collaborative teams, and analyse agents' internal hidden states. Despite a lack of additional architectural features, inductive biases, or auxiliary objectives, the agents nevertheless develop structured internal representations of their partners' task abilities, enabling rapid adaptation and generalisation to novel collaborators. We investigated these internal models through probing techniques, and large-scale behavioural analysis. Notably, we find that structured partner modelling emerges when agents can influence partner behaviour by controlling task allocation. Our results show that partner modelling can arise spontaneously in model-free agents--but only under environmental conditions that impose the right kind of social pressure.
Adapting to Stochastic and Adversarial Losses in Episodic MDPs with Aggregate Bandit Feedback
We study online learning in finite-horizon episodic Markov decision processes (MDPs) under the challenging aggregate bandit feedback model, where the learner observes only the cumulative loss incurred in each episode, rather than individual losses at each state-action pair. While prior work in this setting has focused exclusively on worst-case analysis, we initiate the study of best-of-both-worlds (BOBW) algorithms that achieve low regret in both stochastic and adversarial environments. We propose the first BOBW algorithms for episodic tabular MDPs with aggregate bandit feedback. In the case of known transitions, our algorithms achieve O(logT) regret in stochastic settings and O( T) regret in adversarial ones. Importantly, we also establish matching lower bounds, showing the optimality of our algorithms in this setting. We further extend our approach to unknowntransition settings by incorporating confidence-based techniques. Our results rely on a combination of FTRL over occupancy measures, self-bounding techniques, and new loss estimators inspired by recent advances in online shortest path problems. Along the way, we also provide the first individual-gap-dependent lower bounds and demonstrate near-optimal BOBW algorithms for shortest path problems with bandit feedback.