Daily Papers

This paper aims to overcome a major obstacle in scaling RL for reasoning with LLMs, namely the collapse of policy entropy. Such phenomenon is consistently observed across vast RL runs without entropy intervention, where the policy entropy dropped sharply at the early training stage, this diminished exploratory ability is always accompanied with the saturation of policy performance. In practice, we establish a transformation equation R=-a*e^H+b between entropy H and downstream performance R. This empirical law strongly indicates that, the policy performance is traded from policy entropy, thus bottlenecked by its exhaustion, and the ceiling is fully predictable H=0, R=-a+b. Our finding necessitates entropy management for continuous exploration toward scaling compute for RL. To this end, we investigate entropy dynamics both theoretically and empirically. Our derivation highlights that, the change in policy entropy is driven by the covariance between action probability and the change in logits, which is proportional to its advantage when using Policy Gradient-like algorithms. Empirical study shows that, the values of covariance term and entropy differences matched exactly, supporting the theoretical conclusion. Moreover, the covariance term stays mostly positive throughout training, further explaining why policy entropy would decrease monotonically. Through understanding the mechanism behind entropy dynamics, we motivate to control entropy by restricting the update of high-covariance tokens. Specifically, we propose two simple yet effective techniques, namely Clip-Cov and KL-Cov, which clip and apply KL penalty to tokens with high covariances respectively. Experiments show that these methods encourage exploration, thus helping policy escape entropy collapse and achieve better downstream performance.

In this paper, a safe and learning-based control framework for model predictive control (MPC) is proposed to optimize nonlinear systems with a non-differentiable objective function under uncertain environmental disturbances. The control framework integrates a learning-based MPC with an auxiliary controller in a way of minimal intervention. The learning-based MPC augments the prior nominal model with incremental Gaussian Processes to learn the uncertain disturbances. The cross-entropy method (CEM) is utilized as the sampling-based optimizer for the MPC with a non-differentiable objective function. A minimal intervention controller is devised with a control Lyapunov function and a control barrier function to guide the sampling process and endow the system with high probabilistic safety. The proposed algorithm shows a safe and adaptive control performance on a simulated quadrotor in the tasks of trajectory tracking and obstacle avoidance under uncertain wind disturbances.

Post-training is essential for the success of large language models (LLMs), transforming pre-trained base models into more useful and aligned post-trained models. While plenty of works have studied post-training algorithms and evaluated post-training models by their outputs, it remains understudied how post-training reshapes LLMs internally. In this paper, we compare base and post-trained LLMs mechanistically from four perspectives to better understand post-training effects. Our findings across model families and datasets reveal that: (1) Post-training does not change the factual knowledge storage locations, and it adapts knowledge representations from the base model while developing new knowledge representations; (2) Both truthfulness and refusal can be represented by linear vectors in the hidden representation space. The truthfulness direction is highly similar between the base and post-trained model, and it is effectively transferable for interventions; (3) The refusal direction is different between the base and post-trained models, and it shows limited forward transferability; (4) Differences in confidence between the base and post-trained models cannot be attributed to entropy neurons. Our study provides insights into the fundamental mechanisms preserved and altered during post-training, facilitates downstream tasks like model steering, and could potentially benefit future research in interpretability and LLM post-training.

The pervasiveness of proprietary language models has raised critical privacy concerns, necessitating advancements in private inference (PI), where computations are performed directly on encrypted data without revealing users' sensitive information. While PI offers a promising solution, its practical deployment is hindered by substantial communication and latency overheads, primarily stemming from nonlinear operations. To address this, we introduce an information-theoretic framework to characterize the role of nonlinearities in decoder-only language models, laying a principled foundation for optimizing transformer-architectures tailored to the demands of PI. By leveraging Shannon's entropy as a quantitative measure, we uncover the previously unexplored dual significance of nonlinearities: beyond ensuring training stability, they are crucial for maintaining attention head diversity. Specifically, we find that their removal triggers two critical failure modes: {\em entropy collapse} in deeper layers that destabilizes training, and {\em entropic overload} in earlier layers that leads to under-utilization of Multi-Head Attention's (MHA) representational capacity. We propose an entropy-guided attention mechanism paired with a novel entropy regularization technique to mitigate entropic overload. Additionally, we explore PI-friendly alternatives to layer normalization for preventing entropy collapse and stabilizing the training of LLMs with reduced-nonlinearities. Our study bridges the gap between information theory and architectural design, establishing entropy dynamics as a principled guide for developing efficient PI architectures. The code and implementation are available at https://github.com/Nandan91/entropy-guided-attention-llm{entropy-guided-llm}.

What drives exploration? Understanding intrinsic motivation is a long-standing challenge in both cognitive science and artificial intelligence; numerous objectives have been proposed and used to train agents, yet there remains a gap between human and agent exploration. We directly compare adults, children, and AI agents in a complex open-ended environment, Crafter, and study how common intrinsic objectives: Entropy, Information Gain, and Empowerment, relate to their behavior. We find that only Entropy and Empowerment are consistently positively correlated with human exploration progress, indicating that these objectives may better inform intrinsic reward design for agents. Furthermore, across agents and humans we observe that Entropy initially increases rapidly, then plateaus, while Empowerment increases continuously, suggesting that state diversity may provide more signal in early exploration, while advanced exploration should prioritize control. Finally, we find preliminary evidence that private speech utterances, and particularly goal verbalizations, may aid exploration in children. Our data is available at https://github.com/alyd/humans_in_crafter_data.

Entropy minimization (EM) trains the model to concentrate even more probability mass on its most confident outputs. We show that this simple objective alone, without any labeled data, can substantially improve large language models' (LLMs) performance on challenging math, physics, and coding tasks. We explore three approaches: (1) EM-FT minimizes token-level entropy similarly to instruction finetuning, but on unlabeled outputs drawn from the model; (2) EM-RL: reinforcement learning with negative entropy as the only reward to maximize; (3) EM-INF: inference-time logit adjustment to reduce entropy without any training data or parameter updates. On Qwen-7B, EM-RL, without any labeled data, achieves comparable or better performance than strong RL baselines such as GRPO and RLOO that are trained on 60K labeled examples. Furthermore, EM-INF enables Qwen-32B to match or exceed the performance of proprietary models like GPT-4o, Claude 3 Opus, and Gemini 1.5 Pro on the challenging SciCode benchmark, while being 3x more efficient than self-consistency and sequential refinement. Our findings reveal that many pretrained LLMs possess previously underappreciated reasoning capabilities that can be effectively elicited through entropy minimization alone, without any labeled data or even any parameter updates.

We trained 13,440 large language models and found that entropy minimization requires only a single unlabeled data and 10 steps optimization to achieve performance improvements comparable to or even greater than those obtained using thousands of data and carefully designed rewards in rule-based reinforcement learning. This striking result may prompt a rethinking of post-training paradigms for large language models. Our code is avaliable at https://github.com/zitian-gao/one-shot-em.

In this paper I apply newly-proposed information-theoretic principles to thermodynamic work extraction. I show that if it is possible to extract work deterministically from a physical system prepared in any one of a set of states, then those states must be distinguishable from one another. This result is formulated independently of scale and of particular dynamical laws; it also provides a novel connection between thermodynamics and information theory, established via the law of conservation of energy (rather than the second law of thermodynamics). Albeit compatible with these conclusions, existing thermodynamics approaches cannot provide a result of such generality, because they are scale-dependent (relying on ensembles or coarse-graining) or tied to particular dynamical laws. This paper thus provides a broader foundation for thermodynamics, with implications for the theory of von Neumann's universal constructor

The varying significance of distinct primitive behaviors during the policy learning process has been overlooked by prior model-free RL algorithms. Leveraging this insight, we explore the causal relationship between different action dimensions and rewards to evaluate the significance of various primitive behaviors during training. We introduce a causality-aware entropy term that effectively identifies and prioritizes actions with high potential impacts for efficient exploration. Furthermore, to prevent excessive focus on specific primitive behaviors, we analyze the gradient dormancy phenomenon and introduce a dormancy-guided reset mechanism to further enhance the efficacy of our method. Our proposed algorithm, ACE: Off-policy Actor-critic with Causality-aware Entropy regularization, demonstrates a substantial performance advantage across 29 diverse continuous control tasks spanning 7 domains compared to model-free RL baselines, which underscores the effectiveness, versatility, and efficient sample efficiency of our approach. Benchmark results and videos are available at https://ace-rl.github.io/.

We address the challenge of exploration in reinforcement learning (RL) when the agent operates in an unknown environment with sparse or no rewards. In this work, we study the maximum entropy exploration problem of two different types. The first type is visitation entropy maximization previously considered by Hazan et al.(2019) in the discounted setting. For this type of exploration, we propose a game-theoretic algorithm that has mathcal{O}(H^3S^2A/varepsilon^2) sample complexity thus improving the varepsilon-dependence upon existing results, where S is a number of states, A is a number of actions, H is an episode length, and varepsilon is a desired accuracy. The second type of entropy we study is the trajectory entropy. This objective function is closely related to the entropy-regularized MDPs, and we propose a simple algorithm that has a sample complexity of order mathcal{O}(poly(S,A,H)/varepsilon). Interestingly, it is the first theoretical result in RL literature that establishes the potential statistical advantage of regularized MDPs for exploration. Finally, we apply developed regularization techniques to reduce sample complexity of visitation entropy maximization to mathcal{O}(H^2SA/varepsilon^2), yielding a statistical separation between maximum entropy exploration and reward-free exploration.

Unsupervised reinforcement learning aims at learning a generalist policy in a reward-free manner for fast adaptation to downstream tasks. Most of the existing methods propose to provide an intrinsic reward based on surprise. Maximizing or minimizing surprise drives the agent to either explore or gain control over its environment. However, both strategies rely on a strong assumption: the entropy of the environment's dynamics is either high or low. This assumption may not always hold in real-world scenarios, where the entropy of the environment's dynamics may be unknown. Hence, choosing between the two objectives is a dilemma. We propose a novel yet simple mixture of policies to address this concern, allowing us to optimize an objective that simultaneously maximizes and minimizes the surprise. Concretely, we train one mixture component whose objective is to maximize the surprise and another whose objective is to minimize the surprise. Hence, our method does not make assumptions about the entropy of the environment's dynamics. We call our method a Mixture Of SurpriseS (MOSS) for unsupervised reinforcement learning. Experimental results show that our simple method achieves state-of-the-art performance on the URLB benchmark, outperforming previous pure surprise maximization-based objectives. Our code is available at: https://github.com/LeapLabTHU/MOSS.

Balancing exploration and exploitation is a central goal in reinforcement learning (RL). Despite recent advances in enhancing language model (LM) reasoning, most methods lean toward exploitation, and increasingly encounter performance plateaus. In this work, we revisit entropy -- a signal of exploration in RL -- and examine its relationship to exploratory reasoning in LMs. Through empirical analysis, we uncover strong positive correlations between high-entropy regions and three types of exploratory reasoning actions: (1) pivotal tokens that determine or connect logical steps, (2) reflective actions such as self-verification and correction, and (3) rare behaviors under-explored by the base LMs. Motivated by this, we introduce a minimal modification to standard RL with only one line of code: augmenting the advantage function with an entropy-based term. Unlike traditional maximum-entropy methods which encourage exploration by promoting uncertainty, we encourage exploration by promoting longer and deeper reasoning chains. Notably, our method achieves significant gains on the Pass@K metric -- an upper-bound estimator of LM reasoning capabilities -- even when evaluated with extremely large K values, pushing the boundaries of LM reasoning.

Large language models (LLMs) have shown promise in performing complex multi-step reasoning, yet they continue to struggle with mathematical reasoning, often making systematic errors. A promising solution is reinforcement learning (RL) guided by reward models, particularly those focusing on process rewards, which score each intermediate step rather than solely evaluating the final outcome. This approach is more effective at guiding policy models towards correct reasoning trajectories. In this work, we propose an entropy-regularized process reward model (ER-PRM) that integrates KL-regularized Markov Decision Processes (MDP) to balance policy optimization with the need to prevent the policy from shifting too far from its initial distribution. We derive a novel reward construction method based on the theoretical results. Our theoretical analysis shows that we could derive the optimal reward model from the initial policy sampling. Our empirical experiments on the MATH and GSM8K benchmarks demonstrate that ER-PRM consistently outperforms existing process reward models, achieving 1% improvement on GSM8K and 2-3% improvement on MATH under best-of-N evaluation, and more than 1% improvement under RLHF. These results highlight the efficacy of entropy-regularization in enhancing LLMs' reasoning capabilities.

Reasoning large language models (LLMs) excel in complex tasks, which has drawn significant attention to reinforcement learning (RL) for LLMs. However, existing approaches allocate an equal number of rollouts to all questions during the RL process, which is inefficient. This inefficiency stems from the fact that training on simple questions yields limited gains, whereas more rollouts are needed for challenging questions to sample correct answers. Furthermore, while RL improves response precision, it limits the model's exploration ability, potentially resulting in a performance cap below that of the base model prior to RL. To address these issues, we propose a mechanism for dynamically allocating rollout budgets based on the difficulty of the problems, enabling more efficient RL training. Additionally, we introduce an adaptive dynamic temperature adjustment strategy to maintain the entropy at a stable level, thereby encouraging sufficient exploration. This enables LLMs to improve response precision while preserving their exploratory ability to uncover potential correct pathways. The code and data is available on: https://github.com/LiaoMengqi/E3-RL4LLMs

State-of-the-art language generation models can degenerate when applied to open-ended generation problems such as text completion, story generation, or dialog modeling. This degeneration usually shows up in the form of incoherence, lack of vocabulary diversity, and self-repetition or copying from the context. In this paper, we postulate that ``human-like'' generations usually lie in a narrow and nearly flat entropy band, and violation of these entropy bounds correlates with degenerate behavior. Our experiments show that this stable narrow entropy zone exists across models, tasks, and domains and confirm the hypothesis that violations of this zone correlate with degeneration. We then use this insight to propose an entropy-aware decoding algorithm that respects these entropy bounds resulting in less degenerate, more contextual, and "human-like" language generation in open-ended text generation settings.

Concept bottleneck models (CBMs) are a class of interpretable neural network models that predict the target response of a given input based on its high-level concepts. Unlike the standard end-to-end models, CBMs enable domain experts to intervene on the predicted concepts and rectify any mistakes at test time, so that more accurate task predictions can be made at the end. While such intervenability provides a powerful avenue of control, many aspects of the intervention procedure remain rather unexplored. In this work, we develop various ways of selecting intervening concepts to improve the intervention effectiveness and conduct an array of in-depth analyses as to how they evolve under different circumstances. Specifically, we find that an informed intervention strategy can reduce the task error more than ten times compared to the current baseline under the same amount of intervention counts in realistic settings, and yet, this can vary quite significantly when taking into account different intervention granularity. We verify our findings through comprehensive evaluations, not only on the standard real datasets, but also on synthetic datasets that we generate based on a set of different causal graphs. We further discover some major pitfalls of the current practices which, without a proper addressing, raise concerns on reliability and fairness of the intervention procedure.

We discovered the underlying physics in Next-token Prediction (NTP). We identified the law of information conservation within NTP and proposed the First Law of Information Capacity (IC-1), demonstrating that the essence of intelligence emergence in auto-regressive models is fundamentally a process of information transfer. We also introduced Landauer's Principle into NTP, formulating the Second Law of Information Capacity (IC-2), which establishes the relationship between auto-regressive model training and energy consumption. Additionally, we presented several corollaries, which hold practical significance for production practices. Finally, we validated the compatibility and complementarity of our findings with existing theories.

In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the Kullback Leibler divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods.

Interventions on model-internal states are fundamental operations in many areas of AI, including model editing, steering, robustness, and interpretability. To facilitate such research, we introduce pyvene, an open-source Python library that supports customizable interventions on a range of different PyTorch modules. pyvene supports complex intervention schemes with an intuitive configuration format, and its interventions can be static or include trainable parameters. We show how pyvene provides a unified and extensible framework for performing interventions on neural models and sharing the intervened upon models with others. We illustrate the power of the library via interpretability analyses using causal abstraction and knowledge localization. We publish our library through Python Package Index (PyPI) and provide code, documentation, and tutorials at https://github.com/stanfordnlp/pyvene.

Discrete diffusion models have recently gained significant attention due to their ability to process complex discrete structures for language modeling. However, fine-tuning these models with policy gradient methods, as is commonly done in Reinforcement Learning from Human Feedback (RLHF), remains a challenging task. We propose an efficient, broadly applicable, and theoretically justified policy gradient algorithm, called Score Entropy Policy Optimization (SEPO), for fine-tuning discrete diffusion models over non-differentiable rewards. Our numerical experiments across several discrete generative tasks demonstrate the scalability and efficiency of our method. Our code is available at https://github.com/ozekri/SEPO.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

When deploying artificial agents in real-world environments where they interact with humans, it is crucial that their behavior is aligned with the values, social norms or other requirements of that environment. However, many environments have implicit constraints that are difficult to specify and transfer to a learning agent. To address this challenge, we propose a novel method that utilizes the principle of maximum causal entropy to learn constraints and an optimal policy that adheres to these constraints, using demonstrations of agents that abide by the constraints. We prove convergence in a tabular setting and provide an approximation which scales to complex environments. We evaluate the effectiveness of the learned policy by assessing the reward received and the number of constraint violations, and we evaluate the learned cost function based on its transferability to other agents. Our method has been shown to outperform state-of-the-art approaches across a variety of tasks and environments, and it is able to handle problems with stochastic dynamics and a continuous state-action space.

We introduce Confucius3-Math, an open-source large language model with 14B parameters that (1) runs efficiently on a single consumer-grade GPU; (2) achieves SOTA performances on a range of mathematical reasoning tasks, outperforming many models with significantly larger sizes. In particular, as part of our mission to enhancing education and knowledge dissemination with AI, Confucius3-Math is specifically committed to mathematics learning for Chinese K-12 students and educators. Built via post-training with large-scale reinforcement learning (RL), Confucius3-Math aligns with national curriculum and excels at solving main-stream Chinese K-12 mathematical problems with low cost. In this report we share our development recipe, the challenges we encounter and the techniques we develop to overcome them. In particular, we introduce three technical innovations: Targeted Entropy Regularization, Recent Sample Recovery and Policy-Specific Hardness Weighting. These innovations encompass a new entropy regularization, a novel data scheduling policy, and an improved group-relative advantage estimator. Collectively, they significantly stabilize the RL training, improve data efficiency, and boost performance. Our work demonstrates the feasibility of building strong reasoning models in a particular domain at low cost. We open-source our model and code at https://github.com/netease-youdao/Confucius3-Math.

We tackle the challenge of large-scale network intervention for guiding excitatory point processes, such as infectious disease spread or traffic congestion control. Our model-based reinforcement learning utilizes neural ODEs to capture how the networked excitatory point processes will evolve subject to the time-varying changes in network topology. Our approach incorporates Gradient-Descent based Model Predictive Control (GD-MPC), offering policy flexibility to accommodate prior knowledge and constraints. To address the intricacies of planning and overcome the high dimensionality inherent to such decision-making problems, we design an Amortize Network Interventions (ANI) framework, allowing for the pooling of optimal policies from history and other contexts, while ensuring a permutation equivalent property. This property enables efficient knowledge transfer and sharing across diverse contexts. Our approach has broad applications, from curbing infectious disease spread to reducing carbon emissions through traffic light optimization, and thus has the potential to address critical societal and environmental challenges.

In complex multi-agent environments, achieving efficient learning and desirable behaviours is a significant challenge for Multi-Agent Reinforcement Learning (MARL) systems. This work explores the potential of combining MARL with Large Language Model (LLM)-mediated interventions to guide agents toward more desirable behaviours. Specifically, we investigate how LLMs can be used to interpret and facilitate interventions that shape the learning trajectories of multiple agents. We experimented with two types of interventions, referred to as controllers: a Natural Language (NL) Controller and a Rule-Based (RB) Controller. The NL Controller, which uses an LLM to simulate human-like interventions, showed a stronger impact than the RB Controller. Our findings indicate that agents particularly benefit from early interventions, leading to more efficient training and higher performance. Both intervention types outperform the baseline without interventions, highlighting the potential of LLM-mediated guidance to accelerate training and enhance MARL performance in challenging environments.

Recent Reinforcement Learning (RL) algorithms making use of Kullback-Leibler (KL) regularization as a core component have shown outstanding performance. Yet, only little is understood theoretically about why KL regularization helps, so far. We study KL regularization within an approximate value iteration scheme and show that it implicitly averages q-values. Leveraging this insight, we provide a very strong performance bound, the very first to combine two desirable aspects: a linear dependency to the horizon (instead of quadratic) and an error propagation term involving an averaging effect of the estimation errors (instead of an accumulation effect). We also study the more general case of an additional entropy regularizer. The resulting abstract scheme encompasses many existing RL algorithms. Some of our assumptions do not hold with neural networks, so we complement this theoretical analysis with an extensive empirical study.

We introduce Self-Monitored Inference-Time INtervention (SMITIN), an approach for controlling an autoregressive generative music transformer using classifier probes. These simple logistic regression probes are trained on the output of each attention head in the transformer using a small dataset of audio examples both exhibiting and missing a specific musical trait (e.g., the presence/absence of drums, or real/synthetic music). We then steer the attention heads in the probe direction, ensuring the generative model output captures the desired musical trait. Additionally, we monitor the probe output to avoid adding an excessive amount of intervention into the autoregressive generation, which could lead to temporally incoherent music. We validate our results objectively and subjectively for both audio continuation and text-to-music applications, demonstrating the ability to add controls to large generative models for which retraining or even fine-tuning is impractical for most musicians. Audio samples of the proposed intervention approach are available on our demo page http://tinyurl.com/smitin .

This topical review article gives an overview of the interplay between quantum information theory and thermodynamics of quantum systems. We focus on several trending topics including the foundations of statistical mechanics, resource theories, entanglement in thermodynamic settings, fluctuation theorems and thermal machines. This is not a comprehensive review of the diverse field of quantum thermodynamics; rather, it is a convenient entry point for the thermo-curious information theorist. Furthermore this review should facilitate the unification and understanding of different interdisciplinary approaches emerging in research groups around the world.

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

We introduce the Structured Knowledge Accumulation (SKA) framework, which reinterprets entropy as a dynamic, layer-wise measure of knowledge alignment in neural networks. Instead of relying on traditional gradient-based optimization, SKA defines entropy in terms of knowledge vectors and their influence on decision probabilities across multiple layers. This formulation naturally leads to the emergence of activation functions such as the sigmoid as a consequence of entropy minimization. Unlike conventional backpropagation, SKA allows each layer to optimize independently by aligning its knowledge representation with changes in decision probabilities. As a result, total network entropy decreases in a hierarchical manner, allowing knowledge structures to evolve progressively. This approach provides a scalable, biologically plausible alternative to gradient-based learning, bridging information theory and artificial intelligence while offering promising applications in resource-constrained and parallel computing environments.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

The entropic fictitious play (EFP) is a recently proposed algorithm that minimizes the sum of a convex functional and entropy in the space of measures -- such an objective naturally arises in the optimization of a two-layer neural network in the mean-field regime. In this work, we provide a concise primal-dual analysis of EFP in the setting where the learning problem exhibits a finite-sum structure. We establish quantitative global convergence guarantees for both the continuous-time and discrete-time dynamics based on properties of a proximal Gibbs measure introduced in Nitanda et al. (2022). Furthermore, our primal-dual framework entails a memory-efficient particle-based implementation of the EFP update, and also suggests a connection to gradient boosting methods. We illustrate the efficiency of our novel implementation in experiments including neural network optimization and image synthesis.

Two main challenges in Reinforcement Learning (RL) are designing appropriate reward functions and ensuring the safety of the learned policy. To address these challenges, we present a theoretical framework for Inverse Reinforcement Learning (IRL) in constrained Markov decision processes. From a convex-analytic perspective, we extend prior results on reward identifiability and generalizability to both the constrained setting and a more general class of regularizations. In particular, we show that identifiability up to potential shaping (Cao et al., 2021) is a consequence of entropy regularization and may generally no longer hold for other regularizations or in the presence of safety constraints. We also show that to ensure generalizability to new transition laws and constraints, the true reward must be identified up to a constant. Additionally, we derive a finite sample guarantee for the suboptimality of the learned rewards, and validate our results in a gridworld environment.

How can we rely on an end-to-end autonomous vehicle's complex decision-making system during deployment? One common solution is to have a ``fallback layer'' that checks the planned trajectory for rule violations and replaces it with a pre-defined safe action if necessary. Another approach involves adjusting the planner's decisions to minimize a pre-defined ``cost function'' using additional system predictions such as road layouts and detected obstacles. However, these pre-programmed rules or cost functions cannot learn and improve with new training data, often resulting in overly conservative behaviors. In this work, we propose Centaur (Cluster Entropy for Test-time trAining using Uncertainty) which updates a planner's behavior via test-time training, without relying on hand-engineered rules or cost functions. Instead, we measure and minimize the uncertainty in the planner's decisions. For this, we develop a novel uncertainty measure, called Cluster Entropy, which is simple, interpretable, and compatible with state-of-the-art planning algorithms. Using data collected at prior test-time time-steps, we perform an update to the model's parameters using a gradient that minimizes the Cluster Entropy. With only this sole gradient update prior to inference, Centaur exhibits significant improvements, ranking first on the navtest leaderboard with notable gains in safety-critical metrics such as time to collision. To provide detailed insights on a per-scenario basis, we also introduce navsafe, a challenging new benchmark, which highlights previously undiscovered failure modes of driving models.

In this work we propose a blackbox intervention method for visual dialog models, with the aim of assessing the contribution of individual linguistic or visual components. Concretely, we conduct structured or randomized interventions that aim to impair an individual component of the model, and observe changes in task performance. We reproduce a state-of-the-art visual dialog model and demonstrate that our methodology yields surprising insights, namely that both dialog and image information have minimal contributions to task performance. The intervention method presented here can be applied as a sanity check for the strength and robustness of each component in visual dialog systems.

In nonstationary bandit learning problems, the decision-maker must continually gather information and adapt their action selection as the latent state of the environment evolves. In each time period, some latent optimal action maximizes expected reward under the environment state. We view the optimal action sequence as a stochastic process, and take an information-theoretic approach to analyze attainable performance. We bound limiting per-period regret in terms of the entropy rate of the optimal action process. The bound applies to a wide array of problems studied in the literature and reflects the problem's information structure through its information-ratio.

Adversarial training is a practical approach for improving the robustness of deep neural networks against adversarial attacks. Although bringing reliable robustness, the performance toward clean examples is negatively affected after adversarial training, which means a trade-off exists between accuracy and robustness. Recently, some studies have tried to use knowledge distillation methods in adversarial training, achieving competitive performance in improving the robustness but the accuracy for clean samples is still limited. In this paper, to mitigate the accuracy-robustness trade-off, we introduce the Multi-Teacher Adversarial Robustness Distillation (MTARD) to guide the model's adversarial training process by applying a strong clean teacher and a strong robust teacher to handle the clean examples and adversarial examples, respectively. During the optimization process, to ensure that different teachers show similar knowledge scales, we design the Entropy-Based Balance algorithm to adjust the teacher's temperature and keep the teachers' information entropy consistent. Besides, to ensure that the student has a relatively consistent learning speed from multiple teachers, we propose the Normalization Loss Balance algorithm to adjust the learning weights of different types of knowledge. A series of experiments conducted on public datasets demonstrate that MTARD outperforms the state-of-the-art adversarial training and distillation methods against various adversarial attacks.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

Knowledge distillation (KD) is a general neural network training approach that uses a teacher model to guide the student model. Existing works mainly study KD from the network output side (e.g., trying to design a better KD loss function), while few have attempted to understand it from the input side. Especially, its interplay with data augmentation (DA) has not been well understood. In this paper, we ask: Why do some DA schemes (e.g., CutMix) inherently perform much better than others in KD? What makes a "good" DA in KD? Our investigation from a statistical perspective suggests that a good DA scheme should reduce the covariance of the teacher-student cross-entropy. A practical metric, the stddev of teacher's mean probability (T. stddev), is further presented and well justified empirically. Besides the theoretical understanding, we also introduce a new entropy-based data-mixing DA scheme, CutMixPick, to further enhance CutMix. Extensive empirical studies support our claims and demonstrate how we can harvest considerable performance gains simply by using a better DA scheme in knowledge distillation.

Human intelligence involves metacognitive abilities like self-regulation, recognizing limitations, and seeking assistance only when needed. While LLM Agents excel in many domains, they often lack this awareness. Overconfident agents risk catastrophic failures, while those that seek help excessively hinder efficiency. A key challenge is enabling agents with a limited intervention budget C is to decide when to request assistance. In this paper, we propose an offline framework that trains a "helper" policy to request interventions, such as more powerful models or test-time compute, by combining LLM-based process reward models (PRMs) with tabular reinforcement learning. Using state transitions collected offline, we score optimal intervention timing with PRMs and train the helper model on these labeled trajectories. This offline approach significantly reduces costly intervention calls during training. Furthermore, the integration of PRMs with tabular RL enhances robustness to off-policy data while avoiding the inefficiencies of deep RL. We empirically find that our method delivers optimal helper behavior.

We develop a Multi-Agent Reinforcement Learning (MARL) method to learn scalable control policies for target tracking. Our method can handle an arbitrary number of pursuers and targets; we show results for tasks consisting up to 1000 pursuers tracking 1000 targets. We use a decentralized, partially-observable Markov Decision Process framework to model pursuers as agents receiving partial observations (range and bearing) about targets which move using fixed, unknown policies. An attention mechanism is used to parameterize the value function of the agents; this mechanism allows us to handle an arbitrary number of targets. Entropy-regularized off-policy RL methods are used to train a stochastic policy, and we discuss how it enables a hedging behavior between pursuers that leads to a weak form of cooperation in spite of completely decentralized control execution. We further develop a masking heuristic that allows training on smaller problems with few pursuers-targets and execution on much larger problems. Thorough simulation experiments, ablation studies, and comparisons to state of the art algorithms are performed to study the scalability of the approach and robustness of performance to varying numbers of agents and targets.

In living organisms, homeostasis is the natural regulation of internal states aimed at maintaining conditions compatible with life. Typical artificial systems are not equipped with comparable regulatory features. Here, we introduce an artificial neural network that incorporates homeostatic features. Its own computing substrate is placed in a needful and vulnerable relation to the very objects over which it computes. For example, artificial neurons performing classification of MNIST digits or Fashion-MNIST articles of clothing may receive excitatory or inhibitory effects, which alter their own learning rate as a direct result of perceiving and classifying the digits. In this scenario, accurate recognition is desirable to the agent itself because it guides decisions to regulate its vulnerable internal states and functionality. Counterintuitively, the addition of vulnerability to a learner does not necessarily impair its performance. On the contrary, self-regulation in response to vulnerability confers benefits under certain conditions. We show that homeostatic design confers increased adaptability under concept shift, in which the relationships between labels and data change over time, and that the greatest advantages are obtained under the highest rates of shift. This necessitates the rapid un-learning of past associations and the re-learning of new ones. We also demonstrate the superior abilities of homeostatic learners in environments with dynamically changing rates of concept shift. Our homeostatic design exposes the artificial neural network's thinking machinery to the consequences of its own "thoughts", illustrating the advantage of putting one's own "skin in the game" to improve fluid intelligence.

The uniform information density (UID) hypothesis states that humans tend to distribute information roughly evenly across an utterance or discourse. Early evidence in support of the UID hypothesis came from Genzel & Charniak (2002), which proposed an entropy rate constancy principle based on the probability of English text under n-gram language models. We re-evaluate the claims of Genzel & Charniak (2002) with neural language models, failing to find clear evidence in support of entropy rate constancy. We conduct a range of experiments across datasets, model sizes, and languages and discuss implications for the uniform information density hypothesis and linguistic theories of efficient communication more broadly.

Policy optimization methods are popular reinforcement learning algorithms in practice. Recent works have built theoretical foundation for them by proving T regret bounds even when the losses are adversarial. Such bounds are tight in the worst case but often overly pessimistic. In this work, we show that in tabular Markov decision processes (MDPs), by properly designing the regularizer, the exploration bonus and the learning rates, one can achieve a more favorable polylog(T) regret when the losses are stochastic, without sacrificing the worst-case guarantee in the adversarial regime. To our knowledge, this is also the first time a gap-dependent polylog(T) regret bound is shown for policy optimization. Specifically, we achieve this by leveraging a Tsallis entropy or a Shannon entropy regularizer in the policy update. Then we show that under known transitions, we can further obtain a first-order regret bound in the adversarial regime by leveraging the log-barrier regularizer.

Neural networks often exhibit emergent behavior, where qualitatively new capabilities arise from scaling up the amount of parameters, training data, or training steps. One approach to understanding emergence is to find continuous progress measures that underlie the seemingly discontinuous qualitative changes. We argue that progress measures can be found via mechanistic interpretability: reverse-engineering learned behaviors into their individual components. As a case study, we investigate the recently-discovered phenomenon of ``grokking'' exhibited by small transformers trained on modular addition tasks. We fully reverse engineer the algorithm learned by these networks, which uses discrete Fourier transforms and trigonometric identities to convert addition to rotation about a circle. We confirm the algorithm by analyzing the activations and weights and by performing ablations in Fourier space. Based on this understanding, we define progress measures that allow us to study the dynamics of training and split training into three continuous phases: memorization, circuit formation, and cleanup. Our results show that grokking, rather than being a sudden shift, arises from the gradual amplification of structured mechanisms encoded in the weights, followed by the later removal of memorizing components.

All current formulations of thermodynamics invoke some form of coarse-graining or ensembles as the supposed link between their own laws and the microscopic laws of motion. They deal only with ensemble-averages, expectation values, macroscopic limits, infinite heat baths, etc., not with the details of physical variables of individual microscopic systems. They are consistent with the laws of motion for finite systems only in certain approximations, which improve with increasing scale, given various assumptions about initial conditions which are neither specified precisely nor even thought to hold exactly in nature. Here I propose a new formulation of the zeroth, first and second laws, improving upon the axiomatic approach to thermodynamics (Carath\'eodory, 1909; Lieb & Yngvason, 1999), via the principles of the recently proposed constructor theory. Specifically, I provide a non-approximative, scale-independent formulation of 'adiabatic accessibility'; this in turn provides a non-approximative, scale-independent distinction between work and heat and reveals an unexpected connection between information theory and the first law of thermodynamics (not just the second). It also achieves the long-sought unification of the axiomatic approach with Kelvin's.

We explore machine unlearning (MU) in the domain of large language models (LLMs), referred to as LLM unlearning. This initiative aims to eliminate undesirable data influence (e.g., sensitive or illegal information) and the associated model capabilities, while maintaining the integrity of essential knowledge generation and not affecting causally unrelated information. We envision LLM unlearning becoming a pivotal element in the life-cycle management of LLMs, potentially standing as an essential foundation for developing generative AI that is not only safe, secure, and trustworthy, but also resource-efficient without the need of full retraining. We navigate the unlearning landscape in LLMs from conceptual formulation, methodologies, metrics, and applications. In particular, we highlight the often-overlooked aspects of existing LLM unlearning research, e.g., unlearning scope, data-model interaction, and multifaceted efficacy assessment. We also draw connections between LLM unlearning and related areas such as model editing, influence functions, model explanation, adversarial training, and reinforcement learning. Furthermore, we outline an effective assessment framework for LLM unlearning and explore its applications in copyright and privacy safeguards and sociotechnical harm reduction.

Extracting causal relationships from observed correlations is a growing area in probabilistic reasoning, originating with the seminal work of Pearl and others from the early 1990s. This paper develops a new, categorically oriented view based on a clear distinction between syntax (string diagrams) and semantics (stochastic matrices), connected via interpretations as structure-preserving functors. A key notion in the identification of causal effects is that of an intervention, whereby a variable is forcefully set to a particular value independent of any prior propensities. We represent the effect of such an intervention as an endofunctor which performs `string diagram surgery' within the syntactic category of string diagrams. This diagram surgery in turn yields a new, interventional distribution via the interpretation functor. While in general there is no way to compute interventional distributions purely from observed data, we show that this is possible in certain special cases using a calculational tool called comb disintegration. We demonstrate the use of this technique on a well-known toy example, where we predict the causal effect of smoking on cancer in the presence of a confounding common cause. After developing this specific example, we show this technique provides simple sufficient conditions for computing interventions which apply to a wide variety of situations considered in the causal inference literature.

Network systems form the foundation of modern society, playing a critical role in various applications. However, these systems are at significant risk of being adversely affected by unforeseen circumstances, such as disasters. Considering this, there is a pressing need for research to enhance the robustness of network systems. Recently, in reinforcement learning, the relationship between acquiring robustness and regularizing entropy has been identified. Additionally, imitation learning is used within this framework to reflect experts' behavior. However, there are no comprehensive studies on the use of a similar imitation framework for optimal transport on networks. Therefore, in this study, imitation-regularized optimal transport (I-OT) on networks was investigated. It encodes prior knowledge on the network by imitating a given prior distribution. The I-OT solution demonstrated robustness in terms of the cost defined on the network. Moreover, we applied the I-OT to a logistics planning problem using real data. We also examined the imitation and apriori risk information scenarios to demonstrate the usefulness and implications of the proposed method.

A control technique is developed via Reinforcement Learning that allows arbitrary controlling of the position of an acoustic cavitation bubble in a dual-frequency standing acoustic wave field. The agent must choose the optimal pressure amplitude values to manipulate the bubble position in the range of x/lambda_0in[0.05, 0.25]. To train the agent an actor-critic off-policy algorithm (Deep Deterministic Policy Gradient) was used that supports continuous action space, which allows setting the pressure amplitude values continuously within 0 and 1, bar. A shaped reward function is formulated that minimizes the distance between the bubble and the target position and implicitly encourages the agent to perform the position control within the shortest amount of time. In some cases, the optimal control can be 7 times faster than the solution expected from the linear theory.

Existing Maximum-Entropy (MaxEnt) Reinforcement Learning (RL) methods for continuous action spaces are typically formulated based on actor-critic frameworks and optimized through alternating steps of policy evaluation and policy improvement. In the policy evaluation steps, the critic is updated to capture the soft Q-function. In the policy improvement steps, the actor is adjusted in accordance with the updated soft Q-function. In this paper, we introduce a new MaxEnt RL framework modeled using Energy-Based Normalizing Flows (EBFlow). This framework integrates the policy evaluation steps and the policy improvement steps, resulting in a single objective training process. Our method enables the calculation of the soft value function used in the policy evaluation target without Monte Carlo approximation. Moreover, this design supports the modeling of multi-modal action distributions while facilitating efficient action sampling. To evaluate the performance of our method, we conducted experiments on the MuJoCo benchmark suite and a number of high-dimensional robotic tasks simulated by Omniverse Isaac Gym. The evaluation results demonstrate that our method achieves superior performance compared to widely-adopted representative baselines.

Backpropagation, which uses the chain rule, is the de-facto standard algorithm for optimizing neural networks nowadays. Recently, Hinton (2022) proposed the forward-forward algorithm, a promising alternative that optimizes neural nets layer-by-layer, without propagating gradients throughout the network. Although such an approach has several advantages over back-propagation and shows promising results, the fact that each layer is being trained independently limits the optimization process. Specifically, it prevents the network's layers from collaborating to learn complex and rich features. In this work, we study layer collaboration in the forward-forward algorithm. We show that the current version of the forward-forward algorithm is suboptimal when considering information flow in the network, resulting in a lack of collaboration between layers of the network. We propose an improved version that supports layer collaboration to better utilize the network structure, while not requiring any additional assumptions or computations. We empirically demonstrate the efficacy of the proposed version when considering both information flow and objective metrics. Additionally, we provide a theoretical motivation for the proposed method, inspired by functional entropy theory.

Machine learning (ML) holds great potential for accurately forecasting treatment outcomes over time, which could ultimately enable the adoption of more individualized treatment strategies in many practical applications. However, a significant challenge that has been largely overlooked by the ML literature on this topic is the presence of informative sampling in observational data. When instances are observed irregularly over time, sampling times are typically not random, but rather informative -- depending on the instance's characteristics, past outcomes, and administered treatments. In this work, we formalize informative sampling as a covariate shift problem and show that it can prohibit accurate estimation of treatment outcomes if not properly accounted for. To overcome this challenge, we present a general framework for learning treatment outcomes in the presence of informative sampling using inverse intensity-weighting, and propose a novel method, TESAR-CDE, that instantiates this framework using Neural CDEs. Using a simulation environment based on a clinical use case, we demonstrate the effectiveness of our approach in learning under informative sampling.

Varying dynamics parameters in simulation is a popular Domain Randomization (DR) approach for overcoming the reality gap in Reinforcement Learning (RL). Nevertheless, DR heavily hinges on the choice of the sampling distribution of the dynamics parameters, since high variability is crucial to regularize the agent's behavior but notoriously leads to overly conservative policies when randomizing excessively. In this paper, we propose a novel approach to address sim-to-real transfer, which automatically shapes dynamics distributions during training in simulation without requiring real-world data. We introduce DOmain RAndomization via Entropy MaximizatiON (DORAEMON), a constrained optimization problem that directly maximizes the entropy of the training distribution while retaining generalization capabilities. In achieving this, DORAEMON gradually increases the diversity of sampled dynamics parameters as long as the probability of success of the current policy is sufficiently high. We empirically validate the consistent benefits of DORAEMON in obtaining highly adaptive and generalizable policies, i.e. solving the task at hand across the widest range of dynamics parameters, as opposed to representative baselines from the DR literature. Notably, we also demonstrate the Sim2Real applicability of DORAEMON through its successful zero-shot transfer in a robotic manipulation setup under unknown real-world parameters.

Model-free deep reinforcement learning (RL) algorithms have been successfully applied to a range of challenging sequential decision making and control tasks. However, these methods typically suffer from two major challenges: high sample complexity and brittleness to hyperparameters. Both of these challenges limit the applicability of such methods to real-world domains. In this paper, we describe Soft Actor-Critic (SAC), our recently introduced off-policy actor-critic algorithm based on the maximum entropy RL framework. In this framework, the actor aims to simultaneously maximize expected return and entropy. That is, to succeed at the task while acting as randomly as possible. We extend SAC to incorporate a number of modifications that accelerate training and improve stability with respect to the hyperparameters, including a constrained formulation that automatically tunes the temperature hyperparameter. We systematically evaluate SAC on a range of benchmark tasks, as well as real-world challenging tasks such as locomotion for a quadrupedal robot and robotic manipulation with a dexterous hand. With these improvements, SAC achieves state-of-the-art performance, outperforming prior on-policy and off-policy methods in sample-efficiency and asymptotic performance. Furthermore, we demonstrate that, in contrast to other off-policy algorithms, our approach is very stable, achieving similar performance across different random seeds. These results suggest that SAC is a promising candidate for learning in real-world robotics tasks.

In a recent work, Laforgue et al. introduce the model of last switch dependent (LSD) bandits, in an attempt to capture nonstationary phenomena induced by the interaction between the player and the environment. Examples include satiation, where consecutive plays of the same action lead to decreased performance, or deprivation, where the payoff of an action increases after an interval of inactivity. In this work, we take a step towards understanding the approximability of planning LSD bandits, namely, the (NP-hard) problem of computing an optimal arm-pulling strategy under complete knowledge of the model. In particular, we design the first efficient constant approximation algorithm for the problem and show that, under a natural monotonicity assumption on the payoffs, its approximation guarantee (almost) matches the state-of-the-art for the special and well-studied class of recharging bandits (also known as delay-dependent). In this attempt, we develop new tools and insights for this class of problems, including a novel higher-dimensional relaxation and the technique of mirroring the evolution of virtual states. We believe that these novel elements could potentially be used for approaching richer classes of action-induced nonstationary bandits (e.g., special instances of restless bandits). In the case where the model parameters are initially unknown, we develop an online learning adaptation of our algorithm for which we provide sublinear regret guarantees against its full-information counterpart.

Predicting how different interventions will causally affect a specific individual is important in a variety of domains such as personalized medicine, public policy, and online marketing. There are a large number of methods to predict the effect of an existing intervention based on historical data from individuals who received it. However, in many settings it is important to predict the effects of novel interventions (e.g., a newly invented drug), which these methods do not address. Here, we consider zero-shot causal learning: predicting the personalized effects of a novel intervention. We propose CaML, a causal meta-learning framework which formulates the personalized prediction of each intervention's effect as a task. CaML trains a single meta-model across thousands of tasks, each constructed by sampling an intervention, along with its recipients and nonrecipients. By leveraging both intervention information (e.g., a drug's attributes) and individual features~(e.g., a patient's history), CaML is able to predict the personalized effects of novel interventions that do not exist at the time of training. Experimental results on real world datasets in large-scale medical claims and cell-line perturbations demonstrate the effectiveness of our approach. Most strikingly, CaML's zero-shot predictions outperform even strong baselines trained directly on data from the test interventions.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

Markov categories are a novel framework to describe and treat problems in probability and information theory. In this work we combine the categorical formalism with the traditional quantitative notions of entropy, mutual information, and data processing inequalities. We show that several quantitative aspects of information theory can be captured by an enriched version of Markov categories, where the spaces of morphisms are equipped with a divergence or even a metric. As it is customary in information theory, mutual information can be defined as a measure of how far a joint source is from displaying independence of its components. More strikingly, Markov categories give a notion of determinism for sources and channels, and we can define entropy exactly by measuring how far a source or channel is from being deterministic. This recovers Shannon and R\'enyi entropies, as well as the Gini-Simpson index used in ecology to quantify diversity, and it can be used to give a conceptual definition of generalized entropy.

Effective conversational agents must be able to personalize their behavior to suit a user's preferences, personality, and attributes, whether they are assisting with writing tasks or operating in domains like education or healthcare. Current training methods like Reinforcement Learning from Human Feedback (RLHF) prioritize helpfulness and safety but fall short in fostering truly empathetic, adaptive, and personalized interactions. Traditional approaches to personalization often rely on extensive user history, limiting their effectiveness for new or context-limited users. To overcome these limitations, we propose to incorporate an intrinsic motivation to improve the conversational agents's model of the user as an additional reward alongside multi-turn RLHF. This reward mechanism encourages the agent to actively elicit user traits by optimizing conversations to increase the accuracy of its user model. Consequently, the policy agent can deliver more personalized interactions through obtaining more information about the user. We applied our method both education and fitness settings, where LLMs teach concepts or recommend personalized strategies based on users' hidden learning style or lifestyle attributes. Using LLM-simulated users, our approach outperformed a multi-turn RLHF baseline in revealing information about the users' preferences, and adapting to them.

Robustness against adversarial attacks and distribution shifts is a long-standing goal of Reinforcement Learning (RL). To this end, Robust Adversarial Reinforcement Learning (RARL) trains a protagonist against destabilizing forces exercised by an adversary in a competitive zero-sum Markov game, whose optimal solution, i.e., rational strategy, corresponds to a Nash equilibrium. However, finding Nash equilibria requires facing complex saddle point optimization problems, which can be prohibitive to solve, especially for high-dimensional control. In this paper, we propose a novel approach for adversarial RL based on entropy regularization to ease the complexity of the saddle point optimization problem. We show that the solution of this entropy-regularized problem corresponds to a Quantal Response Equilibrium (QRE), a generalization of Nash equilibria that accounts for bounded rationality, i.e., agents sometimes play random actions instead of optimal ones. Crucially, the connection between the entropy-regularized objective and QRE enables free modulation of the rationality of the agents by simply tuning the temperature coefficient. We leverage this insight to propose our novel algorithm, Quantal Adversarial RL (QARL), which gradually increases the rationality of the adversary in a curriculum fashion until it is fully rational, easing the complexity of the optimization problem while retaining robustness. We provide extensive evidence of QARL outperforming RARL and recent baselines across several MuJoCo locomotion and navigation problems in overall performance and robustness.

The analysis of scientific data and complex multivariate systems requires information quantities that capture relationships among multiple random variables. Recently, new information-theoretic measures have been developed to overcome the shortcomings of classical ones, such as mutual information, that are restricted to considering pairwise interactions. Among them, the concept of information synergy and redundancy is crucial for understanding the high-order dependencies between variables. One of the most prominent and versatile measures based on this concept is O-information, which provides a clear and scalable way to quantify the synergy-redundancy balance in multivariate systems. However, its practical application is limited to simplified cases. In this work, we introduce SOmegaI, which allows for the first time to compute O-information without restrictive assumptions about the system. Our experiments validate our approach on synthetic data, and demonstrate the effectiveness of SOmegaI in the context of a real-world use case.

In this paper, we present empirical evidence of skills and directed exploration emerging from a simple RL algorithm long before any successful trials are observed. For example, in a manipulation task, the agent is given a single observation of the goal state and learns skills, first for moving its end-effector, then for pushing the block, and finally for picking up and placing the block. These skills emerge before the agent has ever successfully placed the block at the goal location and without the aid of any reward functions, demonstrations, or manually-specified distance metrics. Once the agent has learned to reach the goal state reliably, exploration is reduced. Implementing our method involves a simple modification of prior work and does not require density estimates, ensembles, or any additional hyperparameters. Intuitively, the proposed method seems like it should be terrible at exploration, and we lack a clear theoretical understanding of why it works so effectively, though our experiments provide some hints.

Empowerment has the potential to help agents learn large skillsets, but is not yet a scalable solution for training general-purpose agents. Recent empowerment methods learn diverse skillsets by maximizing the mutual information between skills and states; however, these approaches require a model of the transition dynamics, which can be challenging to learn in realistic settings with high-dimensional and stochastic observations. We present Latent-Predictive Empowerment (LPE), an algorithm that can compute empowerment in a more practical manner. LPE learns large skillsets by maximizing an objective that is a principled replacement for the mutual information between skills and states and that only requires a simpler latent-predictive model rather than a full simulator of the environment. We show empirically in a variety of settings--including ones with high-dimensional observations and highly stochastic transition dynamics--that our empowerment objective (i) learns similar-sized skillsets as the leading empowerment algorithm that assumes access to a model of the transition dynamics and (ii) outperforms other model-based approaches to empowerment.

The acceleration in the adoption of AI-based automated decision-making systems poses a challenge for evaluating the fairness of algorithmic decisions, especially in the absence of ground truth. When designing interventions, uplift modeling is used extensively to identify candidates that are likely to benefit from treatment. However, these models remain particularly susceptible to fairness evaluation due to the lack of ground truth on the outcome measure since a candidate cannot be in both treatment and control simultaneously. In this article, we propose a framework that overcomes the missing ground truth problem by generating surrogates to serve as a proxy for counterfactual labels of uplift modeling campaigns. We then leverage the surrogate ground truth to conduct a more comprehensive binary fairness evaluation. We show how to apply the approach in a comprehensive study from a real-world marketing campaign for promotional offers and demonstrate its enhancement for fairness evaluation.

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

Neural networks often suffer from catastrophic interference (CI): performance on previously learned tasks drops off significantly when learning a new task. This contrasts strongly with humans, who can sequentially learn new tasks without appreciably forgetting previous tasks. Prior work has explored various techniques for mitigating CI such as regularization, rehearsal, generative replay, and distillation methods. The current work takes a different approach, one guided by cognitive science research showing that in naturalistic environments, the probability of encountering a task decreases as a power-law of the time since it was last performed. We argue that a realistic evaluation of techniques for the mitigation of CI should be performed in simulated naturalistic learning environments. Thus, we evaluate the extent of mitigation of CI when training simple rehearsal-based methods in power-law environments similar to the ones humans face. Our work explores this novel rehearsal-based approach for a domain-incremental task: learning permutations in the MNIST task. We compare our rehearsal environment with other baselines to show its efficacy in promoting continual learning. Additionally, we investigate whether this environment shows forward facilitation, i.e., faster learning of later tasks. Next, we explore the robustness of our learning environment to the number of tasks, model size, and amount of data rehearsed after each task. Notably, our results show that the performance is comparable or superior to that of models trained using popular regularization methods and also to rehearsals in non-power-law environments. The benefits of this training paradigm include simplicity and the lack of a need for extra neural circuitry. In addition, because our method is orthogonal to other methods, future research can combine training in power-law environments with other continual learning mechanisms.

We provide a theoretical framework for Reinforcement Learning with Human Feedback (RLHF). Our analysis shows that when the true reward function is linear, the widely used maximum likelihood estimator (MLE) converges under both the Bradley-Terry-Luce (BTL) model and the Plackett-Luce (PL) model. However, we show that when training a policy based on the learned reward model, MLE fails while a pessimistic MLE provides policies with improved performance under certain coverage assumptions. Additionally, we demonstrate that under the PL model, the true MLE and an alternative MLE that splits the K-wise comparison into pairwise comparisons both converge. Moreover, the true MLE is asymptotically more efficient. Our results validate the empirical success of existing RLHF algorithms in InstructGPT and provide new insights for algorithm design. Furthermore, our results unify the problem of RLHF and max-entropy Inverse Reinforcement Learning (IRL), and provide the first sample complexity bound for max-entropy IRL.

Many real world learning tasks involve complex or hard-to-specify objectives, and using an easier-to-specify proxy can lead to poor performance or misaligned behavior. One solution is to have humans provide a training signal by demonstrating or judging performance, but this approach fails if the task is too complicated for a human to directly evaluate. We propose Iterated Amplification, an alternative training strategy which progressively builds up a training signal for difficult problems by combining solutions to easier subproblems. Iterated Amplification is closely related to Expert Iteration (Anthony et al., 2017; Silver et al., 2017), except that it uses no external reward function. We present results in algorithmic environments, showing that Iterated Amplification can efficiently learn complex behaviors.