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First-order Sobolev Reinforcement Learning

Schramm, Fabian, Perrin-Gilbert, Nicolas, Carpentier, Justin

arXiv.org Artificial Intelligence

We propose a refinement of temporal-difference learning that enforces first-order Bellman consistency: the learned value function is trained to match not only the Bellman targets in value but also their derivatives with respect to states and actions. By differentiating the Bellman backup through differentiable dynamics, we obtain analytically consistent gradient targets. Incorporating these into the critic objective using a Sobolev-type loss encourages the critic to align with both the value and local geometry of the target function. This first-order TD matching principle can be seamlessly integrated into existing algorithms, such as Q-learning or actor-critic methods (e.g., DDPG, SAC), potentially leading to faster critic convergence and more stable policy gradients without altering their overall structure.


LLMs Process Lists With General Filter Heads

Sharma, Arnab Sen, Rogers, Giordano, Shapira, Natalie, Bau, David

arXiv.org Artificial Intelligence

We investigate the mechanisms underlying a range of list-processing tasks in LLMs, and we find that LLMs have learned to encode a compact, causal representation of a general filtering operation that mirrors the generic "filter" function of functional programming. Using causal mediation analysis on a diverse set of list-processing tasks, we find that a small number of attention heads, which we dub filter heads, encode a compact representation of the filtering predicate in their query states at certain tokens. We demonstrate that this predicate representation is general and portable: it can be extracted and reapplied to execute the same filtering operation on different collections, presented in different formats, languages, or even in tasks. However, we also identify situations where transformer LMs can exploit a different strategy for filtering: eagerly evaluating if an item satisfies the predicate and storing this intermediate result as a flag directly in the item representations. Our results reveal that transformer LMs can develop human-interpretable implementations of abstract computational operations that generalize in ways that are surprisingly similar to strategies used in traditional functional programming patterns.


Wavefunction Flows: Efficient Quantum Simulation of Continuous Flow Models

Layden, David, Sweke, Ryan, Havlíček, Vojtěch, Chowdhury, Anirban, Neklyudov, Kirill

arXiv.org Machine Learning

Flow models are a cornerstone of modern machine learning. They are generative models that progressively transform probability distributions according to learned dynamics. Specifically, they learn a continuous-time Markov process that efficiently maps samples from a simple source distribution into samples from a complex target distribution. We show that these models are naturally related to the Schrödinger equation, for an unusual Hamiltonian on continuous variables. Moreover, we prove that the dynamics generated by this Hamiltonian can be efficiently simulated on a quantum computer. Together, these results give a quantum algorithm for preparing coherent encodings (a.k.a., qsamples) for a vast family of probability distributions--namely, those expressible by flow models--by reducing the task to an existing classical learning problem, plus Hamiltonian simulation. For statistical problems defined by flow models, such as mean estimation and property testing, this enables the use of quantum algorithms tailored to qsamples, which may offer advantages over classical algorithms based only on samples from a flow model. More broadly, these results reveal a close connection between state-of-the-art machine learning models, such as flow matching and diffusion models, and one of the main expected capabilities of quantum computers: simulating quantum dynamics.


FedRAIN-Lite: Federated Reinforcement Algorithms for Improving Idealised Numerical Weather and Climate Models

Nath, Pritthijit, Schemm, Sebastian, Moss, Henry, Haynes, Peter, Shuckburgh, Emily, Webb, Mark

arXiv.org Artificial Intelligence

Sub-grid parameterisations in climate models are traditionally static and tuned offline, limiting adaptability to evolving states. This work introduces FedRAIN-Lite, a federated reinforcement learning (FedRL) framework that mirrors the spatial decomposition used in general circulation models (GCMs) by assigning agents to latitude bands, enabling local parameter learning with periodic global aggregation. Using a hierarchy of simplified energy-balance climate models, from a single-agent baseline (ebm-v1) to multi-agent ensemble (ebm-v2) and GCM-like (ebm-v3) setups, we benchmark three RL algorithms under different FedRL configurations. Results show that Deep Deterministic Policy Gradient (DDPG) consistently outperforms both static and single-agent baselines, with faster convergence and lower area-weighted RMSE in tropical and mid-latitude zones across both ebm-v2 and ebm-v3 setups. DDPG's ability to transfer across hyperparameters and low computational cost make it well-suited for geographically adaptive parameter learning. This capability offers a scalable pathway towards high-complexity GCMs and provides a prototype for physically aligned, online-learning climate models that can evolve with a changing climate. Code accessible at https://github.com/p3jitnath/climate-rl-fedrl.


Targeted Deep Architectures: A TMLE-Based Framework for Robust Causal Inference in Neural Networks

Li, Yi, Mccoy, David, Gunter, Nolan, Lee, Kaitlyn, Schuler, Alejandro, van der Laan, Mark

arXiv.org Artificial Intelligence

Modern deep neural networks are powerful predictive tools yet often lack valid inference for causal parameters, such as treatment effects or entire survival curves. While frameworks like Double Machine Learning (DML) and Targeted Maximum Likelihood Estimation (TMLE) can debias machine-learning fits, existing neural implementations either rely on "targeted losses" that do not guarantee solving the efficient influence function equation or computationally expensive post-hoc "fluctuations" for multi-parameter settings. We propose Targeted Deep Architectures (TDA), a new framework that embeds TMLE directly into the network's parameter space with no restrictions on the backbone architecture. Specifically, TDA partitions model parameters - freezing all but a small "targeting" subset - and iteratively updates them along a targeting gradient, derived from projecting the influence functions onto the span of the gradients of the loss with respect to weights. This procedure yields plug-in estimates that remove first-order bias and produce asymptotically valid confidence intervals. Crucially, TDA easily extends to multi-dimensional causal estimands (e.g., entire survival curves) by merging separate targeting gradients into a single universal targeting update. Theoretically, TDA inherits classical TMLE properties, including double robustness and semiparametric efficiency. Empirically, on the benchmark IHDP dataset (average treatment effects) and simulated survival data with informative censoring, TDA reduces bias and improves coverage relative to both standard neural-network estimators and prior post-hoc approaches. In doing so, TDA establishes a direct, scalable pathway toward rigorous causal inference within modern deep architectures for complex multi-parameter targets.


Performance Comparisons of Reinforcement Learning Algorithms for Sequential Experimental Design

Barlas, Yasir Zubayr, Salako, Kizito

arXiv.org Machine Learning

Recent developments in sequential experimental design look to construct a policy that can efficiently navigate the design space, in a way that maximises the expected information gain. Whilst there is work on achieving tractable policies for experimental design problems, there is significantly less work on obtaining policies that are able to generalise well - i.e. able to give good performance despite a change in the underlying statistical properties of the experiments. Conducting experiments sequentially has recently brought about the use of reinforcement learning, where an agent is trained to navigate the design space to select the most informative designs for experimentation. However, there is still a lack of understanding about the benefits and drawbacks of using certain reinforcement learning algorithms to train these agents. In our work, we investigate several reinforcement learning algorithms and their efficacy in producing agents that take maximally informative design decisions in sequential experimental design scenarios. We find that agent performance is impacted depending on the algorithm used for training, and that particular algorithms, using dropout or ensemble approaches, empirically showcase attractive generalisation properties.


A Complete Algorithm for a Moving Target Traveling Salesman Problem with Obstacles

Bhat, Anoop, Gutow, Geordan, Vundurthy, Bhaskar, Ren, Zhongqiang, Rathinam, Sivakumar, Choset, Howie

arXiv.org Artificial Intelligence

The moving target traveling salesman problem with obstacles (MT-TSP-O) is a generalization of the traveling salesman problem (TSP) where, as its name suggests, the targets are moving. A solution to the MT-TSP-O is a trajectory that visits each moving target during a certain time window(s), and this trajectory avoids stationary obstacles. We assume each target moves at a constant velocity during each of its time windows. The agent has a speed limit, and this speed limit is no smaller than any target's speed. This paper presents the first complete algorithm for finding feasible solutions to the MT-TSP-O. Our algorithm builds a tree where the nodes are agent trajectories intercepting a unique sequence of targets within a unique sequence of time windows. We generate each of a parent node's children by extending the parent's trajectory to intercept one additional target, each child corresponding to a different choice of target and time window. This extension consists of planning a trajectory from the parent trajectory's final point in space-time to a moving target. To solve this point-to-moving-target subproblem, we define a novel generalization of a visibility graph called a moving target visibility graph (MTVG). Our overall algorithm is called MTVG-TSP. To validate MTVG-TSP, we test it on 570 instances with up to 30 targets. We implement a baseline method that samples trajectories of targets into points, based on prior work on special cases of the MT-TSP-O. MTVG-TSP finds feasible solutions in all cases where the baseline does, and when the sum of the targets' time window lengths enters a critical range, MTVG-TSP finds a feasible solution with up to 38 times less computation time.


RAIN: Reinforcement Algorithms for Improving Numerical Weather and Climate Models

Nath, Pritthijit, Moss, Henry, Shuckburgh, Emily, Webb, Mark

arXiv.org Artificial Intelligence

This study explores integrating reinforcement learning (RL) with idealised climate models to address key parameterisation challenges in climate science. Current climate models rely on complex mathematical parameterisations to represent sub-grid scale processes, which can introduce substantial uncertainties. RL offers capabilities to enhance these parameterisation schemes, including direct interaction, handling sparse or delayed feedback, continuous online learning, and long-term optimisation. We evaluate the performance of eight RL algorithms on two idealised environments: one for temperature bias correction, another for radiative-convective equilibrium (RCE) imitating real-world computational constraints. Results show different RL approaches excel in different climate scenarios with exploration algorithms performing better in bias correction, while exploitation algorithms proving more effective for RCE. These findings support the potential of RL-based parameterisation schemes to be integrated into global climate models, improving accuracy and efficiency in capturing complex climate dynamics. Overall, this work represents an important first step towards leveraging RL to enhance climate model accuracy, critical for improving climate understanding and predictions. Code accessible at https://github.com/p3jitnath/climate-rl.


Proximal Curriculum with Task Correlations for Deep Reinforcement Learning

Tzannetos, Georgios, Kamalaruban, Parameswaran, Singla, Adish

arXiv.org Artificial Intelligence

Curriculum design for reinforcement learning (RL) can speed up an agent's learning process and help it learn to perform well on complex tasks. However, existing techniques typically require domain-specific hyperparameter tuning, involve expensive optimization procedures for task selection, or are suitable only for specific learning objectives. In this work, we consider curriculum design in contextual multi-task settings where the agent's final performance is measured w.r.t. a target distribution over complex tasks. We base our curriculum design on the Zone of Proximal Development concept, which has proven to be effective in accelerating the learning process of RL agents for uniform distribution over all tasks. We propose a novel curriculum, ProCuRL-Target, that effectively balances the need for selecting tasks that are not too difficult for the agent while progressing the agent's learning toward the target distribution via leveraging task correlations. We theoretically justify the task selection strategy of ProCuRL-Target by analyzing a simple learning setting with REINFORCE learner model. Our experimental results across various domains with challenging target task distributions affirm the effectiveness of our curriculum strategy over state-of-the-art baselines in accelerating the training process of deep RL agents.


Asymmetry in Low-Rank Adapters of Foundation Models

Zhu, Jiacheng, Greenewald, Kristjan, Nadjahi, Kimia, Borde, Haitz Sáez de Ocáriz, Gabrielsson, Rickard Brüel, Choshen, Leshem, Ghassemi, Marzyeh, Yurochkin, Mikhail, Solomon, Justin

arXiv.org Artificial Intelligence

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product $BA$, we observe that the $B$ and $A$ matrices have distinct functions: $A$ extracts features from the input, while $B$ uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning $B$ is inherently more effective than fine-tuning $A$, and that a random untrained $A$ should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training $B$ improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs.