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SubscribeBayesian machine learning via category theory
From the Bayesian perspective, the category of conditional probabilities (a variant of the Kleisli category of the Giry monad, whose objects are measurable spaces and arrows are Markov kernels) gives a nice framework for conceptualization and analysis of many aspects of machine learning. Using categorical methods, we construct models for parametric and nonparametric Bayesian reasoning on function spaces, thus providing a basis for the supervised learning problem. In particular, stochastic processes are arrows to these function spaces which serve as prior probabilities. The resulting inference maps can often be analytically constructed in this symmetric monoidal weakly closed category. We also show how to view general stochastic processes using functor categories and demonstrate the Kalman filter as an archetype for the hidden Markov model.
Steering the Herd: A Framework for LLM-based Control of Social Learning
Algorithms increasingly serve as information mediators--from social media feeds and targeted advertising to the increasing ubiquity of LLMs. This engenders a joint process where agents combine private, algorithmically-mediated signals with learning from peers to arrive at decisions. To study such settings, we introduce a model of controlled sequential social learning in which an information-mediating planner (e.g. an LLM) controls the information structure of agents while they also learn from the decisions of earlier agents. The planner may seek to improve social welfare (altruistic planner) or to induce a specific action the planner prefers (biased planner). Our framework presents a new optimization problem for social learning that combines dynamic programming with decentralized action choices and Bayesian belief updates. We prove the convexity of the value function and characterize the optimal policies of altruistic and biased planners, which attain desired tradeoffs between the costs they incur and the payoffs they earn from induced agent choices. Notably, in some regimes the biased planner intentionally obfuscates the agents' signals. Even under stringent transparency constraints--information parity with individuals, no lying or cherry-picking, and full observability--we show that information mediation can substantially shift social welfare in either direction. We complement our theory with simulations in which LLMs act as both planner and agents. Notably, the LLM planner in our simulations exhibits emergent strategic behavior in steering public opinion that broadly mirrors the trends predicted, though key deviations suggest the influence of non-Bayesian reasoning consistent with the cognitive patterns of both humans and LLMs trained on human-like data. Together, we establish our framework as a tractable basis for studying the impact and regulation of LLM information mediators.
On the Same Wavelength? Evaluating Pragmatic Reasoning in Language Models across Broad Concepts
Language use is shaped by pragmatics -- i.e., reasoning about communicative goals and norms in context. As language models (LMs) are increasingly used as conversational agents, it becomes ever more important to understand their pragmatic reasoning abilities. We propose an evaluation framework derived from Wavelength, a popular communication game where a speaker and a listener communicate about a broad range of concepts in a granular manner. We study a range of LMs on both language comprehension and language production using direct and Chain-of-Thought (CoT) prompting, and further explore a Rational Speech Act (RSA) approach to incorporating Bayesian pragmatic reasoning into LM inference. We find that state-of-the-art LMs, but not smaller ones, achieve strong performance on language comprehension, obtaining similar-to-human accuracy and exhibiting high correlations with human judgments even without CoT prompting or RSA. On language production, CoT can outperform direct prompting, and using RSA provides significant improvements over both approaches. Our study helps identify the strengths and limitations in LMs' pragmatic reasoning abilities and demonstrates the potential for improving them with RSA, opening up future avenues for understanding conceptual representation, language understanding, and social reasoning in LMs and humans.
Large Language Models Orchestrating Structured Reasoning Achieve Kaggle Grandmaster Level
We introduce Agent K v1.0, an end-to-end autonomous data science agent designed to automate, optimise, and generalise across diverse data science tasks. Fully automated, Agent K v1.0 manages the entire data science life cycle by learning from experience. It leverages a highly flexible structured reasoning framework to enable it to dynamically process memory in a nested structure, effectively learning from accumulated experience stored to handle complex reasoning tasks. It optimises long- and short-term memory by selectively storing and retrieving key information, guiding future decisions based on environmental rewards. This iterative approach allows it to refine decisions without fine-tuning or backpropagation, achieving continuous improvement through experiential learning. We evaluate our agent's apabilities using Kaggle competitions as a case study. Following a fully automated protocol, Agent K v1.0 systematically addresses complex and multimodal data science tasks, employing Bayesian optimisation for hyperparameter tuning and feature engineering. Our new evaluation framework rigorously assesses Agent K v1.0's end-to-end capabilities to generate and send submissions starting from a Kaggle competition URL. Results demonstrate that Agent K v1.0 achieves a 92.5\% success rate across tasks, spanning tabular, computer vision, NLP, and multimodal domains. When benchmarking against 5,856 human Kaggle competitors by calculating Elo-MMR scores for each, Agent K v1.0 ranks in the top 38\%, demonstrating an overall skill level comparable to Expert-level users. Notably, its Elo-MMR score falls between the first and third quartiles of scores achieved by human Grandmasters. Furthermore, our results indicate that Agent K v1.0 has reached a performance level equivalent to Kaggle Grandmaster, with a record of 6 gold, 3 silver, and 7 bronze medals, as defined by Kaggle's progression system.
Bayesian Social Deduction with Graph-Informed Language Models
Social reasoning - inferring unobservable beliefs and intentions from partial observations of other agents - remains a challenging task for large language models (LLMs). We evaluate the limits of current reasoning language models in the social deduction game Avalon and find that while the largest models demonstrate strong performance, they require extensive test-time inference and degrade sharply when distilled to smaller, real-time-capable variants. To address this, we introduce a hybrid reasoning framework that externalizes belief inference to a structured probabilistic model, while using an LLM for language understanding and interaction. Our approach achieves competitive performance with much larger models in Agent-Agent play and, notably, is the first language agent to defeat human players in a controlled study - achieving a 67% win rate and receiving higher qualitative ratings than both reasoning baselines and human teammates. We release code, models, and a dataset to support future work on social reasoning in LLM agents, which can be found at https://camp-lab-purdue.github.io/bayesian-social-deduction/
Distribution Transformers: Fast Approximate Bayesian Inference With On-The-Fly Prior Adaptation
While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.
DP-Fast MH: Private, Fast, and Accurate Metropolis-Hastings for Large-Scale Bayesian Inference
Bayesian inference provides a principled framework for learning from complex data and reasoning under uncertainty. It has been widely applied in machine learning tasks such as medical diagnosis, drug design, and policymaking. In these common applications, data can be highly sensitive. Differential privacy (DP) offers data analysis tools with powerful worst-case privacy guarantees and has been developed as the leading approach in privacy-preserving data analysis. In this paper, we study Metropolis-Hastings (MH), one of the most fundamental MCMC methods, for large-scale Bayesian inference under differential privacy. While most existing private MCMC algorithms sacrifice accuracy and efficiency to obtain privacy, we provide the first exact and fast DP MH algorithm, using only a minibatch of data in most iterations. We further reveal, for the first time, a three-way trade-off among privacy, scalability (i.e. the batch size), and efficiency (i.e. the convergence rate), theoretically characterizing how privacy affects the utility and computational cost in Bayesian inference. We empirically demonstrate the effectiveness and efficiency of our algorithm in various experiments.
Beyond Markovian: Reflective Exploration via Bayes-Adaptive RL for LLM Reasoning
Large Language Models (LLMs) trained via Reinforcement Learning (RL) have exhibited strong reasoning capabilities and emergent reflective behaviors, such as backtracking and error correction. However, conventional Markovian RL confines exploration to the training phase to learn an optimal deterministic policy and depends on the history contexts only through the current state. Therefore, it remains unclear whether reflective reasoning will emerge during Markovian RL training, or why they are beneficial at test time. To remedy this, we recast reflective exploration within the Bayes-Adaptive RL framework, which explicitly optimizes the expected return under a posterior distribution over Markov decision processes. This Bayesian formulation inherently incentivizes both reward-maximizing exploitation and information-gathering exploration via belief updates. Our resulting algorithm, BARL, instructs the LLM to stitch and switch strategies based on the observed outcomes, offering principled guidance on when and how the model should reflectively explore. Empirical results on both synthetic and mathematical reasoning tasks demonstrate that BARL outperforms standard Markovian RL approaches at test time, achieving superior token efficiency with improved exploration effectiveness. Our code is available at https://github.com/shenao-zhang/BARL.
AutoToM: Automated Bayesian Inverse Planning and Model Discovery for Open-ended Theory of Mind
Theory of Mind (ToM), the ability to understand people's mental variables based on their behavior, is key to developing socially intelligent agents. Current approaches to Theory of Mind reasoning either rely on prompting Large Language Models (LLMs), which are prone to systematic errors, or use rigid, handcrafted Bayesian Theory of Mind (BToM) models, which are more robust but cannot generalize across different domains. In this work, we introduce AutoToM, an automated Bayesian Theory of Mind method for achieving open-ended machine Theory of Mind. AutoToM can operate in any domain, infer any mental variable, and conduct robust Theory of Mind reasoning of any order. Given a Theory of Mind inference problem, AutoToM first proposes an initial BToM model. It then conducts automated Bayesian inverse planning based on the proposed model, leveraging an LLM as the backend. Based on the uncertainty of the inference, it iteratively refines the model, by introducing additional mental variables and/or incorporating more timesteps in the context. Empirical evaluations across multiple Theory of Mind benchmarks demonstrate that AutoToM consistently achieves state-of-the-art performance, offering a scalable, robust, and interpretable approach to machine Theory of Mind.
A Bayesian Approach to Harnessing the Power of LLMs in Authorship Attribution
Authorship attribution aims to identify the origin or author of a document. Traditional approaches have heavily relied on manual features and fail to capture long-range correlations, limiting their effectiveness. Recent advancements leverage text embeddings from pre-trained language models, which require significant fine-tuning on labeled data, posing challenges in data dependency and limited interpretability. Large Language Models (LLMs), with their deep reasoning capabilities and ability to maintain long-range textual associations, offer a promising alternative. This study explores the potential of pre-trained LLMs in one-shot authorship attribution, specifically utilizing Bayesian approaches and probability outputs of LLMs. Our methodology calculates the probability that a text entails previous writings of an author, reflecting a more nuanced understanding of authorship. By utilizing only pre-trained models such as Llama-3-70B, our results on the IMDb and blog datasets show an impressive 85\% accuracy in one-shot authorship classification across ten authors. Our findings set new baselines for one-shot authorship analysis using LLMs and expand the application scope of these models in forensic linguistics. This work also includes extensive ablation studies to validate our approach.
Latent Chain-of-Thought for Visual Reasoning
Chain-of-thought (CoT) reasoning is critical for improving the interpretability and reliability of Large Vision-Language Models (LVLMs). However, existing training algorithms such as SFT, PPO, and GRPO may not generalize well across unseen reasoning tasks and heavily rely on a biased reward model. To address this challenge, we reformulate reasoning in LVLMs as posterior inference and propose a scalable training algorithm based on amortized variational inference. By leveraging diversity-seeking reinforcement learning algorithms, we introduce a novel sparse reward function for token-level learning signals that encourage diverse, high-likelihood latent CoT, overcoming deterministic sampling limitations and avoiding reward hacking. Additionally, we implement a Bayesian inference-scaling strategy that replaces costly Best-of-N and Beam Search with a marginal likelihood to efficiently rank optimal rationales and answers. We empirically demonstrate that the proposed method enhances the state-of-the-art LVLMs on seven reasoning benchmarks, in terms of effectiveness, generalization, and interpretability.
Can Prompt Difficulty be Online Predicted for Accelerating RL Finetuning of Reasoning Models?
Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve satisfactory performance, resulting in high computational costs due to the need for frequent prompt evaluations under intensive LLM interactions and repeated policy updates. Appropriate online prompt selection methods reduce iteration steps by prioritizing informative prompts during training, while the pipeline's reliance on exhaustive prompt evaluation and subset selection for optimization still incurs substantial computational overhead due to frequent LLM inference calls. Distinguished from these direct evaluate-then-select schemes, this work investigates iterative approximate evaluation for arbitrary prompts and introduces Model Predictive Prompt Selection (MoPPS), a Bayesian risk-predictive framework that online estimates prompt difficulty without requiring costly LLM interactions. Technically, MoPPS models each prompt's success rate as a latent variable, performs streaming Bayesian inference, and employs posterior sampling in a constructed multi-armed bandit machine, enabling sample efficient and adaptive prompt selection. Extensive experiments across mathematics, planning, and vision-based geometry tasks show that MoPPS reliably predicts prompt difficulty and accelerates training with significantly reduced LLM rollouts.
BaCaDI: Bayesian Causal Discovery with Unknown Interventions
Inferring causal structures from experimentation is a central task in many domains. For example, in biology, recent advances allow us to obtain single-cell expression data under multiple interventions such as drugs or gene knockouts. However, the targets of the interventions are often uncertain or unknown and the number of observations limited. As a result, standard causal discovery methods can no longer be reliably used. To fill this gap, we propose a Bayesian framework (BaCaDI) for discovering and reasoning about the causal structure that underlies data generated under various unknown experimental or interventional conditions. BaCaDI is fully differentiable, which allows us to infer the complex joint posterior over the intervention targets and the causal structure via efficient gradient-based variational inference. In experiments on synthetic causal discovery tasks and simulated gene-expression data, BaCaDI outperforms related methods in identifying causal structures and intervention targets.
Fully Bayesian VIB-DeepSSM
Statistical shape modeling (SSM) enables population-based quantitative analysis of anatomical shapes, informing clinical diagnosis. Deep learning approaches predict correspondence-based SSM directly from unsegmented 3D images but require calibrated uncertainty quantification, motivating Bayesian formulations. Variational information bottleneck DeepSSM (VIB-DeepSSM) is an effective, principled framework for predicting probabilistic shapes of anatomy from images with aleatoric uncertainty quantification. However, VIB is only half-Bayesian and lacks epistemic uncertainty inference. We derive a fully Bayesian VIB formulation and demonstrate the efficacy of two scalable implementation approaches: concrete dropout and batch ensemble. Additionally, we introduce a novel combination of the two that further enhances uncertainty calibration via multimodal marginalization. Experiments on synthetic shapes and left atrium data demonstrate that the fully Bayesian VIB network predicts SSM from images with improved uncertainty reasoning without sacrificing accuracy.
Plan and Budget: Effective and Efficient Test-Time Scaling on Large Language Model Reasoning
Large Language Models (LLMs) have achieved remarkable success in complex reasoning tasks, but their inference remains computationally inefficient. We observe a common failure mode in many prevalent LLMs, overthinking, where models generate verbose and tangential reasoning traces even for simple queries. Recent works have tried to mitigate this by enforcing fixed token budgets, however, this can lead to underthinking, especially on harder problems. Through empirical analysis, we identify that this inefficiency often stems from unclear problem-solving strategies. To formalize this, we develop a theoretical model, BBAM (Bayesian Budget Allocation Model), which models reasoning as a sequence of sub-questions with varying uncertainty, and introduce the E^3 metric to capture the trade-off between correctness and computation efficiency. Building on theoretical results from BBAM, we propose Plan-and-Budget, a model-agnostic, test-time framework that decomposes complex queries into sub-questions and allocates token budgets based on estimated complexity using adaptive scheduling. Plan-and-Budget improves reasoning efficiency across a range of tasks and models, achieving up to +70% accuracy gains, -39% token reduction, and +187.5% improvement in E^3. Notably, it elevates a smaller model (DS-Qwen-32B) to match the efficiency of a larger model (DS-LLaMA-70B)-demonstrating Plan-and-Budget's ability to close performance gaps without retraining. Our code is available at anonymous.4open.science/r/P-and-B-6513/.
CurES: From Gradient Analysis to Efficient Curriculum Learning for Reasoning LLMs
Curriculum learning plays a crucial role in enhancing the training efficiency of large language models (LLMs) on reasoning tasks. However, existing methods often fail to adequately account for variations in prompt difficulty or rely on simplistic filtering mechanisms to select prompt datasets within a narrow criterion range, resulting in significant computational waste. In this work, we approach the problem from the perspective of reinforcement learning gradient optimization, offering a systematic and theoretical investigation into how to improve the training efficiency of LLMs. We identify two key factors influencing training efficiency: the selection of training prompts and the allocation of rollout quantities across different prompts. Our theoretical analysis reveals that the sampling distribution of prompts dictates the convergence rate of gradient descent, while the allocation of the rollout quantity influences the consistency and stability of overall gradient updates. Based on these insights, we propose CurES, an efficient training method that accelerates convergence and employs Bayesian posterior estimation to minimize computational overhead. Experiments demonstrate that our CurES outperforms Group Relative Policy Optimization (GRPO) by +3.30 points and +4.82 points with 1.5B and 7B models, respectively. Additionally, CurES exhibits faster convergence compared to baselines, including GRPO.
Reason for Future, Act for Now: A Principled Framework for Autonomous LLM Agents with Provable Sample Efficiency
Large language models (LLMs) demonstrate impressive reasoning abilities, but translating reasoning into actions in the real world remains challenging. In particular, it remains unclear how to complete a given task provably within a minimum number of interactions with the external environment, e.g., through an internal mechanism of reasoning. To this end, we propose a principled framework with provable regret guarantees to orchestrate reasoning and acting, which we call "reason for future, act for now" (RAFA). Specifically, we design a prompt template for reasoning that learns from the memory buffer and plans a future trajectory over a long horizon ("reason for future"). At each step, the LLM agent takes the initial action of the planned trajectory ("act for now"), stores the collected feedback in the memory buffer, and reinvokes the reasoning routine to replan the future trajectory from the new state. The key idea is to cast reasoning in LLMs as learning and planning in Bayesian adaptive Markov decision processes (MDPs). Correspondingly, we prompt LLMs to form an updated posterior of the unknown environment from the memory buffer (learning) and generate an optimal trajectory for multiple future steps that maximizes a value function (planning). The learning and planning subroutines are performed in an "in-context" manner to emulate the actor-critic update for MDPs. Our theoretical analysis proves that the novel combination of long-term reasoning and short-term acting achieves a T regret. In particular, the regret bound highlights an intriguing interplay between the prior knowledge obtained through pretraining and the uncertainty reduction achieved by reasoning and acting. Our empirical validation shows that it outperforms various existing frameworks and achieves nearly perfect scores on a few benchmarks.
Verbalized Probabilistic Graphical Modeling
Human cognition excels at transcending sensory input and forming latent representations that structure our understanding of the world. Although Large Language Models (LLMs) can produce chain-of-thought reasoning, they lack a principled framework to capture latent structures and model uncertainty, especially in compositional reasoning tasks. We propose Verbalized Probabilistic Graphical Modeling (vPGM), a Bayesian prompting framework that guides LLMs to simulate key principles of Probabilistic Graphical Models (PGMs) in natural language. Unlike many traditional probabilistic methods requiring substantial domain expertise or specialized training, vPGM bypasses expert-driven model design, making it well-suited for scenarios with limited assumptions or scarce data. We evaluated our model on several compositional reasoning tasks, both close-ended and open-ended. Our results indicate that the model effectively enhances confidence calibration and text generation quality.
Amortizing intractable inference in large language models
Autoregressive large language models (LLMs) compress knowledge from their training data through next-token conditional distributions. This limits tractable querying of this knowledge to start-to-end autoregressive sampling. However, many tasks of interest -- including sequence continuation, infilling, and other forms of constrained generation -- involve sampling from intractable posterior distributions. We address this limitation by using amortized Bayesian inference to sample from these intractable posteriors. Such amortization is algorithmically achieved by fine-tuning LLMs via diversity-seeking reinforcement learning algorithms: generative flow networks (GFlowNets). We empirically demonstrate that this distribution-matching paradigm of LLM fine-tuning can serve as an effective alternative to maximum-likelihood training and reward-maximizing policy optimization. As an important application, we interpret chain-of-thought reasoning as a latent variable modeling problem and demonstrate that our approach enables data-efficient adaptation of LLMs to tasks that require multi-step rationalization and tool use.
Towards General Natural Language Understanding with Probabilistic Worldbuilding
We introduce the Probabilistic Worldbuilding Model (PWM), a new fully-symbolic Bayesian model of semantic parsing and reasoning, as a first step in a research program toward more domain- and task-general NLU and AI. Humans create internal mental models of their observations which greatly aid in their ability to understand and reason about a large variety of problems. In PWM, the meanings of sentences, acquired facts about the world, and intermediate steps in reasoning are all expressed in a human-readable formal language, with the design goal of interpretability. PWM is Bayesian, designed specifically to be able to generalize to new domains and new tasks. We derive and implement an inference algorithm that reads sentences by parsing and abducing updates to its latent world model that capture the semantics of those sentences, and evaluate it on two out-of-domain question-answering datasets: (1) ProofWriter and (2) a new dataset we call FictionalGeoQA, designed to be more representative of real language but still simple enough to focus on evaluating reasoning ability, while being robust against heuristics. Our method outperforms baselines on both, thereby demonstrating its value as a proof-of-concept.
From Few to Many: Self-Improving Many-Shot Reasoners Through Iterative Optimization and Generation
Recent advances in long-context large language models (LLMs) have led to the emerging paradigm of many-shot in-context learning (ICL), where it is observed that scaling many more demonstrating examples beyond the conventional few-shot setup in the context can lead to performance benefits. However, despite its promise, it is unclear what aspects dominate the benefits and whether simply scaling to more examples is the most effective way of improving many-shot ICL. In this work, we first provide an analysis of the factors driving many-shot ICL, and we find that 1) many-shot performance can still be attributed to often a few disproportionately influential examples and 2) identifying such influential examples ("optimize") and using them as demonstrations to regenerate new examples ("generate") can lead to further improvements. Inspired by the findings, we propose BRIDGE, an algorithm that alternates between the optimize step with Bayesian optimization to discover the influential sets of examples and the generate step to reuse this set to expand the reasoning paths of the examples back to the many-shot regime automatically. On Gemini, Claude, and Mistral LLMs of different sizes, we show that BRIDGE to significant improvements across a diverse set of tasks, including symbolic reasoning, numerical reasoning, and code generation.
From Word Models to World Models: Translating from Natural Language to the Probabilistic Language of Thought
How does language inform our downstream thinking? In particular, how do humans make meaning from language -- and how can we leverage a theory of linguistic meaning to build machines that think in more human-like ways? In this paper, we propose rational meaning construction, a computational framework for language-informed thinking that combines neural models of language with probabilistic models for rational inference. We frame linguistic meaning as a context-sensitive mapping from natural language into a probabilistic language of thought (PLoT) -- a general-purpose symbolic substrate for probabilistic, generative world modeling. Our architecture integrates two powerful computational tools that have not previously come together: we model thinking with probabilistic programs, an expressive representation for flexible commonsense reasoning; and we model meaning construction with large language models (LLMs), which support broad-coverage translation from natural language utterances to code expressions in a probabilistic programming language. We illustrate our framework in action through examples covering four core domains from cognitive science: probabilistic reasoning, logical and relational reasoning, visual and physical reasoning, and social reasoning about agents and their plans. In each, we show that LLMs can generate context-sensitive translations that capture pragmatically-appropriate linguistic meanings, while Bayesian inference with the generated programs supports coherent and robust commonsense reasoning. We extend our framework to integrate cognitively-motivated symbolic modules to provide a unified commonsense thinking interface from language. Finally, we explore how language can drive the construction of world models themselves.
