Daily Papers

As advanced image manipulation techniques emerge, detecting the manipulation becomes increasingly important. Despite the success of recent learning-based approaches for image manipulation detection, they typically require expensive pixel-level annotations to train, while exhibiting degraded performance when testing on images that are differently manipulated compared with training images. To address these limitations, we propose weakly-supervised image manipulation detection, such that only binary image-level labels (authentic or tampered with) are required for training purpose. Such a weakly-supervised setting can leverage more training images and has the potential to adapt quickly to new manipulation techniques. To improve the generalization ability, we propose weakly-supervised self-consistency learning (WSCL) to leverage the weakly annotated images. Specifically, two consistency properties are learned: multi-source consistency (MSC) and inter-patch consistency (IPC). MSC exploits different content-agnostic information and enables cross-source learning via an online pseudo label generation and refinement process. IPC performs global pair-wise patch-patch relationship reasoning to discover a complete region of manipulation. Extensive experiments validate that our WSCL, even though is weakly supervised, exhibits competitive performance compared with fully-supervised counterpart under both in-distribution and out-of-distribution evaluations, as well as reasonable manipulation localization ability.

The diffusion-based Singing Voice Conversion (SVC) methods have achieved remarkable performances, producing natural audios with high similarity to the target timbre. However, the iterative sampling process results in slow inference speed, and acceleration thus becomes crucial. In this paper, we propose CoMoSVC, a consistency model-based SVC method, which aims to achieve both high-quality generation and high-speed sampling. A diffusion-based teacher model is first specially designed for SVC, and a student model is further distilled under self-consistency properties to achieve one-step sampling. Experiments on a single NVIDIA GTX4090 GPU reveal that although CoMoSVC has a significantly faster inference speed than the state-of-the-art (SOTA) diffusion-based SVC system, it still achieves comparable or superior conversion performance based on both subjective and objective metrics. Audio samples and codes are available at https://comosvc.github.io/.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

Majorities of distillation methods on pre-trained diffusion models or on pre-trained rectified flow, focus on either the distillation outputs or the trajectories between random noises and clean images to speed up sample generations from pre-trained models. In those trajectory-based distillation methods, consistency distillation requires the self-consistent trajectory projection to regulate the trajectory, which might avoid the common ODE approximation error {while still be concerning about sampling efficiencies}. At the same time, rectified flow distillations enforce straight trajectory for fast sampling, although an ODE solver is still required. In this work, we propose a trajectory distillation method, \modelname, that enjoys the benefits of both and enables few-step generations. TraFlow adopts the settings of consistency trajectory models, and further enforces the properties of self-consistency and straightness throughout the entire trajectory. These two properties are pursued by reaching a balance with following three targets: (1) reconstruct the output from pre-trained models; (2) learn the amount of changes by pre-trained models; (3) satisfy the self-consistency over its trajectory. Extensive experimental results have shown the effectiveness of our proposed method.

Large language models (LMs) are capable of generating free-text rationales to aid question answering. However, prior work 1) suggests that useful self-rationalization is emergent only at significant scales (e.g., 175B parameter GPT-3); and 2) focuses largely on downstream performance, ignoring the semantics of the rationales themselves, e.g., are they faithful, true, and helpful for humans? In this work, we enable small-scale LMs (approx. 200x smaller than GPT-3) to generate rationales that not only improve downstream task performance, but are also more plausible, consistent, and diverse, assessed both by automatic and human evaluation. Our method, MaRio (Multi-rewArd RatIOnalization), is a multi-reward conditioned self-rationalization algorithm that optimizes multiple distinct properties like plausibility, diversity and consistency. Results on five difficult question-answering datasets StrategyQA, QuaRel, OpenBookQA, NumerSense and QASC show that not only does MaRio improve task accuracy, but it also improves the self-rationalization quality of small LMs across the aforementioned axes better than a supervised fine-tuning (SFT) baseline. Extensive human evaluations confirm that MaRio rationales are preferred vs. SFT rationales, as well as qualitative improvements in plausibility and consistency.

We investigate the emergence of intuitive physics understanding in general-purpose deep neural network models trained to predict masked regions in natural videos. Leveraging the violation-of-expectation framework, we find that video prediction models trained to predict outcomes in a learned representation space demonstrate an understanding of various intuitive physics properties, such as object permanence and shape consistency. In contrast, video prediction in pixel space and multimodal large language models, which reason through text, achieve performance closer to chance. Our comparisons of these architectures reveal that jointly learning an abstract representation space while predicting missing parts of sensory input, akin to predictive coding, is sufficient to acquire an understanding of intuitive physics, and that even models trained on one week of unique video achieve above chance performance. This challenges the idea that core knowledge -- a set of innate systems to help understand the world -- needs to be hardwired to develop an understanding of intuitive physics.

TOI-836 is a ~2-3 Gyr K dwarf with an inner super Earth (R=1.7 R_oplus, P=3.8 d) and an outer mini Neptune (R=2.6 R_oplus, P=8.6 d). JWST/NIRSpec 2.8--5.2 mum transmission spectra are flat for both planets. We present Keck/NIRSPEC observations of escaping helium for super-Earth b, which shows no excess absorption in the 1083 nm triplet to deep limits (<0.2%), and mini-Neptune c, which shows strong (0.7%) excess absorption in both visits. These results demonstrate that planet c retains at least some primordial atmosphere, while planet b is consistent with having lost its entire primordial envelope. Self-consistent 1D radiative-hydrodynamic models of planet c reveal that the helium excess absorption signal is highly sensitive to metallicity: its equivalent width collapses by a factor of 13 as metallicity increases from 10x to 100x solar, and by a further factor of 12 as it increases to 200x solar. The observed equivalent width is 88\% the model prediction for 100x metallicity, suggesting an atmospheric metallicity similar to K2-18b and TOI-270d, the first two mini-Neptunes with detected absorption features in JWST transmission spectra. We highlight the helium triplet as a potentially powerful probe of atmospheric composition, with complementary strengths and weaknesses to atmospheric retrievals. The main strength is its extreme sensitivity to metallicity in the scientifically significant range of 10--200x solar, and the main weakness is the enormous model uncertainties in outflow suppression and confinement mechanisms, such as magnetic fields and stellar winds, which can suppress the signal by at least a factor of ~several.

Parameterized tight-binding models fit to first principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally only available for a limited number of atom combinations, making routine use of this method difficult. Furthermore, most previous models consider only simple two-body interactions, which limits accuracy. To tackle these challenges, we develop a density functional theory database of nearly one million materials, which we use to fit a universal set of tight-binding parameters for 65 elements and their binary combinations. We include both two-body and three-body effective interaction terms in our model, plus self-consistent charge transfer, enabling our model to work for metallic, covalent, and ionic bonds with the same parameter set. To ensure predictive power, we adopt a learning framework where we repeatedly test the model on new low energy crystal structures and then add them to the fitting dataset, iterating until predictions improve. We distribute the materials database and tools developed in this work publicly.

Self-alignment, whereby models learn to improve themselves without human annotation, is a rapidly growing research area. However, existing techniques often fail to improve complex reasoning tasks due to the difficulty of assigning correct rewards. An orthogonal approach that is known to improve correctness is self-consistency, a method applied at inference time based on multiple sampling in order to find the most consistent answer. In this work, we extend the self-consistency concept to help train models. We thus introduce self-consistency preference optimization (ScPO), which iteratively trains consistent answers to be preferred over inconsistent ones on unsupervised new problems. We show ScPO leads to large improvements over conventional reward model training on reasoning tasks such as GSM8K and MATH, closing the gap with supervised training with gold answers or preferences, and that combining ScPO with standard supervised learning improves results even further. On ZebraLogic, ScPO finetunes Llama-3 8B to be superior to Llama-3 70B, Gemma-2 27B, and Claude-3 Haiku.

The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.

We use new cosmic microwave background (CMB) primary temperature and polarization anisotropy measurements from the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) to test foundational assumptions of the standard cosmological model and set constraints on extensions to it. We derive constraints from the ACT DR6 power spectra alone, as well as in combination with legacy data from Planck. To break geometric degeneracies, we include ACT and Planck CMB lensing data and baryon acoustic oscillation data from DESI Year-1, and further add supernovae measurements from Pantheon+ for models that affect the late-time expansion history. We verify the near-scale-invariance (running of the spectral index d n_s/dln k = 0.0062 pm 0.0052) and adiabaticity of the primordial perturbations. Neutrino properties are consistent with Standard Model predictions: we find no evidence for new light, relativistic species that are free-streaming (N_{rm eff} = 2.86 pm 0.13, which combined with external BBN data becomes N_{rm eff} = 2.89 pm 0.11), for non-zero neutrino masses (sum m_nu < 0.082 eV at 95% CL), or for neutrino self-interactions. We also find no evidence for self-interacting dark radiation (N_{rm idr} < 0.134), early-universe variation of fundamental constants, early dark energy, primordial magnetic fields, or modified recombination. Our data are consistent with standard BBN, the FIRAS-inferred CMB temperature, a dark matter component that is collisionless and with only a small fraction allowed as axion-like particles, a cosmological constant, and the late-time growth rate predicted by general relativity. We find no statistically significant preference for a departure from the baseline LambdaCDM model. In general, models introduced to increase the Hubble constant or to decrease the amplitude of density fluctuations inferred from the primary CMB are not favored by our data.

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.

Generations from large language models (LLMs) can be improved by sampling and scoring multiple solutions to select a final answer. Current "sample and select" methods such as self-consistency (SC) rely on majority voting to score answers. However, when tasks have many distinct and valid answers, selection by voting requires a large number of samples. This makes SC prohibitively expensive for interactive tasks that involve generating multiple actions (answers) sequentially. After establishing that majority voting fails to provide consistent gains on such tasks, we demonstrate how to increase success rates by softening the scoring criterion. We introduce Soft Self-Consistency (SOFT-SC), which replaces SC's discontinuous scoring with a continuous score computed from model likelihoods, allowing for selection even when actions are sparsely distributed. SOFT-SC improves both performance and efficiency on long-horizon interactive tasks, requiring half as many samples as SC for comparable or better performance. For a fixed number of samples, SOFT-SC leads to a 1.3% increase over SC in absolute success rate on writing bash programs, a 6.6% increase on online shopping (WebShop), and a 4.7% increase for an interactive household game (ALFWorld). Finally, we show that SOFT-SC can be applied to both open-source and black-box models.

Scaling test-time compute has emerged as a key strategy for enhancing the reasoning capabilities of large language models (LLMs), particularly in tasks like mathematical problem-solving. A traditional approach, Self-Consistency (SC), generates multiple solutions to a problem and selects the most common answer via majority voting. Another common method involves scoring each solution with a reward model (verifier) and choosing the best one. Recent advancements in Generative Reward Models (GenRM) reframe verification as a next-token prediction task, enabling inference-time scaling along a new axis. Specifically, GenRM generates multiple verification chains-of-thought to score each solution. Under a limited inference budget, this introduces a fundamental trade-off: should you spend the budget on scaling solutions via SC or generate fewer solutions and allocate compute to verification via GenRM? To address this, we evaluate GenRM against SC under a fixed inference budget. Interestingly, we find that SC is more compute-efficient than GenRM for most practical inference budgets across diverse models and datasets. For instance, GenRM first matches SC after consuming up to 8x the inference compute and requires significantly more compute to outperform it. Furthermore, we derive inference scaling laws for the GenRM paradigm, revealing that compute-optimal inference favors scaling solution generation more aggressively than scaling the number of verifications. Our work provides practical guidance on optimizing test-time scaling by balancing solution generation and verification. The code is available at https://github.com/nishadsinghi/sc-genrm-scaling.

Diffusion models achieve superior generation quality but suffer from slow generation speed due to the iterative nature of denoising. In contrast, consistency models, a new generative family, achieve competitive performance with significantly faster sampling. These models are trained either through consistency distillation, which leverages pretrained diffusion models, or consistency training/tuning directly from raw data. In this work, we propose a novel framework for understanding consistency models by modeling the denoising process of the diffusion model as a Markov Decision Process (MDP) and framing consistency model training as the value estimation through Temporal Difference~(TD) Learning. More importantly, this framework allows us to analyze the limitations of current consistency training/tuning strategies. Built upon Easy Consistency Tuning (ECT), we propose Stable Consistency Tuning (SCT), which incorporates variance-reduced learning using the score identity. SCT leads to significant performance improvements on benchmarks such as CIFAR-10 and ImageNet-64. On ImageNet-64, SCT achieves 1-step FID 2.42 and 2-step FID 1.55, a new SoTA for consistency models.

Generalized self-concordance is a key property present in the objective function of many important learning problems. We establish the convergence rate of a simple Frank-Wolfe variant that uses the open-loop step size strategy gamma_t = 2/(t+2), obtaining a O(1/t) convergence rate for this class of functions in terms of primal gap and Frank-Wolfe gap, where t is the iteration count. This avoids the use of second-order information or the need to estimate local smoothness parameters of previous work. We also show improved convergence rates for various common cases, e.g., when the feasible region under consideration is uniformly convex or polyhedral.

Score-based generative models like the diffusion model have been testified to be effective in modeling multi-modal data from image generation to reinforcement learning (RL). However, the inference process of diffusion model can be slow, which hinders its usage in RL with iterative sampling. We propose to apply the consistency model as an efficient yet expressive policy representation, namely consistency policy, with an actor-critic style algorithm for three typical RL settings: offline, offline-to-online and online. For offline RL, we demonstrate the expressiveness of generative models as policies from multi-modal data. For offline-to-online RL, the consistency policy is shown to be more computational efficient than diffusion policy, with a comparable performance. For online RL, the consistency policy demonstrates significant speedup and even higher average performances than the diffusion policy.

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches attempt to straighten these flow trajectories to generate high-quality samples with fewer function evaluations, typically through iterative rectification methods or optimal transport solutions. In this paper, we introduce Consistency Flow Matching (Consistency-FM), a novel FM method that explicitly enforces self-consistency in the velocity field. Consistency-FM directly defines straight flows starting from different times to the same endpoint, imposing constraints on their velocity values. Additionally, we propose a multi-segment training approach for Consistency-FM to enhance expressiveness, achieving a better trade-off between sampling quality and speed. Preliminary experiments demonstrate that our Consistency-FM significantly improves training efficiency by converging 4.4x faster than consistency models and 1.7x faster than rectified flow models while achieving better generation quality. Our code is available at: https://github.com/YangLing0818/consistency_flow_matching

P. Kabamba developed generation theory as a tool for studying self-reproducing systems. We provide an alternative definition of a generation system and give a complete solution to the problem of finding optimal seeds for a finite self-replicating system. We also exhibit examples illustrating a connection between self-replication and fixed-point theory.

As synthetic data becomes higher quality and proliferates on the internet, machine learning models are increasingly trained on a mix of human- and machine-generated data. Despite the successful stories of using synthetic data for representation learning, using synthetic data for generative model training creates "self-consuming loops" which may lead to training instability or even collapse, unless certain conditions are met. Our paper aims to stabilize self-consuming generative model training. Our theoretical results demonstrate that by introducing an idealized correction function, which maps a data point to be more likely under the true data distribution, self-consuming loops can be made exponentially more stable. We then propose self-correction functions, which rely on expert knowledge (e.g. the laws of physics programmed in a simulator), and aim to approximate the idealized corrector automatically and at scale. We empirically validate the effectiveness of self-correcting self-consuming loops on the challenging human motion synthesis task, and observe that it successfully avoids model collapse, even when the ratio of synthetic data to real data is as high as 100%.

Self-replication is a key aspect of biological life that has been largely overlooked in Artificial Intelligence systems. Here we describe how to build and train self-replicating neural networks. The network replicates itself by learning to output its own weights. The network is designed using a loss function that can be optimized with either gradient-based or non-gradient-based methods. We also describe a method we call regeneration to train the network without explicit optimization, by injecting the network with predictions of its own parameters. The best solution for a self-replicating network was found by alternating between regeneration and optimization steps. Finally, we describe a design for a self-replicating neural network that can solve an auxiliary task such as MNIST image classification. We observe that there is a trade-off between the network's ability to classify images and its ability to replicate, but training is biased towards increasing its specialization at image classification at the expense of replication. This is analogous to the trade-off between reproduction and other tasks observed in nature. We suggest that a self-replication mechanism for artificial intelligence is useful because it introduces the possibility of continual improvement through natural selection.

Latent Consistency Model (LCM) extends the Consistency Model to the latent space and leverages the guided consistency distillation technique to achieve impressive performance in accelerating text-to-image synthesis. However, we observed that LCM struggles to generate images with both clarity and detailed intricacy. To address this limitation, we initially delve into and elucidate the underlying causes. Our investigation identifies that the primary issue stems from errors in three distinct areas. Consequently, we introduce Trajectory Consistency Distillation (TCD), which encompasses trajectory consistency function and strategic stochastic sampling. The trajectory consistency function diminishes the distillation errors by broadening the scope of the self-consistency boundary condition and endowing the TCD with the ability to accurately trace the entire trajectory of the Probability Flow ODE. Additionally, strategic stochastic sampling is specifically designed to circumvent the accumulated errors inherent in multi-step consistency sampling, which is meticulously tailored to complement the TCD model. Experiments demonstrate that TCD not only significantly enhances image quality at low NFEs but also yields more detailed results compared to the teacher model at high NFEs.

Evaluating the step-by-step reliability of large language model (LLM) reasoning, such as Chain-of-Thought, remains challenging due to the difficulty and cost of obtaining high-quality step-level supervision. In this paper, we introduce Self-Play Critic (SPC), a novel approach where a critic model evolves its ability to assess reasoning steps through adversarial self-play games, eliminating the need for manual step-level annotation. SPC involves fine-tuning two copies of a base model to play two roles, namely a "sneaky generator" that deliberately produces erroneous steps designed to be difficult to detect, and a "critic" that analyzes the correctness of reasoning steps. These two models engage in an adversarial game in which the generator aims to fool the critic, while the critic model seeks to identify the generator's errors. Using reinforcement learning based on the game outcomes, the models iteratively improve; the winner of each confrontation receives a positive reward and the loser receives a negative reward, driving continuous self-evolution. Experiments on three reasoning process benchmarks (ProcessBench, PRM800K, DeltaBench) demonstrate that our SPC progressively enhances its error detection capabilities (e.g., accuracy increases from 70.8% to 77.7% on ProcessBench) and surpasses strong baselines, including distilled R1 model. Furthermore, applying SPC to guide the test-time search of diverse LLMs significantly improves their mathematical reasoning performance on MATH500 and AIME2024, outperforming state-of-the-art process reward models.

Automated alignment develops alignment systems with minimal human intervention. The key to automated alignment lies in providing learnable and accurate preference signals for preference learning without human annotation. In this paper, we introduce Self-Steering Optimization (SSO), an algorithm that autonomously generates high-quality preference signals based on predefined principles during iterative training, eliminating the need for manual annotation. SSO maintains the accuracy of signals by ensuring a consistent gap between chosen and rejected responses while keeping them both on-policy to suit the current policy model's learning capacity. SSO can benefit the online and offline training of the policy model, as well as enhance the training of reward models. We validate the effectiveness of SSO with two foundation models, Qwen2 and Llama3.1, indicating that it provides accurate, on-policy preference signals throughout iterative training. Without any manual annotation or external models, SSO leads to significant performance improvements across six subjective or objective benchmarks. Besides, the preference data generated by SSO significantly enhanced the performance of the reward model on Rewardbench. Our work presents a scalable approach to preference optimization, paving the way for more efficient and effective automated alignment.

We present Self-Play Preference Optimization (SPO), an algorithm for reinforcement learning from human feedback. Our approach is minimalist in that it does not require training a reward model nor unstable adversarial training and is therefore rather simple to implement. Our approach is maximalist in that it provably handles non-Markovian, intransitive, and stochastic preferences while being robust to the compounding errors that plague offline approaches to sequential prediction. To achieve the preceding qualities, we build upon the concept of a Minimax Winner (MW), a notion of preference aggregation from the social choice theory literature that frames learning from preferences as a zero-sum game between two policies. By leveraging the symmetry of this game, we prove that rather than using the traditional technique of dueling two policies to compute the MW, we can simply have a single agent play against itself while maintaining strong convergence guarantees. Practically, this corresponds to sampling multiple trajectories from a policy, asking a rater or preference model to compare them, and then using the proportion of wins as the reward for a particular trajectory. We demonstrate that on a suite of continuous control tasks, we are able to learn significantly more efficiently than reward-model based approaches while maintaining robustness to the intransitive and stochastic preferences that frequently occur in practice when aggregating human judgments.

The rapid progress of foundation models has led to the prosperity of autonomous agents, which leverage the universal capabilities of foundation models to conduct reasoning, decision-making, and environmental interaction. However, the efficacy of agents remains limited when operating in intricate, realistic environments. In this work, we introduce the principles of Unified Alignment for Agents (UA^2), which advocate for the simultaneous alignment of agents with human intentions, environmental dynamics, and self-constraints such as the limitation of monetary budgets. From the perspective of UA^2, we review the current agent research and highlight the neglected factors in existing agent benchmarks and method candidates. We also conduct proof-of-concept studies by introducing realistic features to WebShop, including user profiles to demonstrate intentions, personalized reranking for complex environmental dynamics, and runtime cost statistics to reflect self-constraints. We then follow the principles of UA^2 to propose an initial design of our agent, and benchmark its performance with several candidate baselines in the retrofitted WebShop. The extensive experimental results further prove the importance of the principles of UA^2. Our research sheds light on the next steps of autonomous agent research with improved general problem-solving abilities.

Emergent properties have been widely adopted as a term to describe behavior not present in smaller models but observed in larger models. Recent work suggests that the trade-off incurred by quantization is also an emergent property, with sharp drops in performance in models over 6B parameters. In this work, we ask "are quantization cliffs in performance solely a factor of scale?" Against a backdrop of increased research focus on why certain emergent properties surface at scale, this work provides a useful counter-example. We posit that it is possible to optimize for a quantization friendly training recipe that suppresses large activation magnitude outliers. Here, we find that outlier dimensions are not an inherent product of scale, but rather sensitive to the optimization conditions present during pre-training. This both opens up directions for more efficient quantization, and poses the question of whether other emergent properties are inherent or can be altered and conditioned by optimization and architecture design choices. We successfully quantize models ranging in size from 410M to 52B with minimal degradation in performance.

Diffusion models have revolutionized generative modeling in continuous domains like image, audio, and video synthesis. However, their iterative sampling process leads to slow generation and inefficient training, challenges that are further exacerbated when incorporating Reinforcement Learning from Human Feedback (RLHF) due to sparse rewards and long time horizons. Consistency models address these issues by enabling single-step or efficient multi-step generation, significantly reducing computational costs. In this work, we propose a direct reward optimization framework for applying RLHF to consistency models, incorporating distributional regularization to enhance training stability and prevent reward hacking. We investigate various f-divergences as regularization strategies, striking a balance between reward maximization and model consistency. Unlike policy gradient methods, our approach leverages first-order gradients, making it more efficient and less sensitive to hyperparameter tuning. Empirical results show that our method achieves competitive or superior performance compared to policy gradient based RLHF methods, across various automatic metrics and human evaluation. Additionally, our analysis demonstrates the impact of different regularization techniques in improving model generalization and preventing overfitting.

In the absence of extensive human-annotated data for complex reasoning tasks, self-improvement -- where models are trained on their own outputs -- has emerged as a primary method for enhancing performance. However, the critical factors underlying the mechanism of these iterative self-improving methods remain poorly understood, such as under what conditions self-improvement is effective, and what are the bottlenecks in the current iterations. In this work, we identify and propose methods to monitor two pivotal factors in this iterative process: (1) the model's ability to generate sufficiently diverse responses (exploration); and (2) the effectiveness of external rewards in distinguishing high-quality candidates from lower-quality ones (exploitation). Using mathematical reasoning as a case study, we begin with a quantitative analysis to track the dynamics of exploration and exploitation, discovering that a model's exploratory capabilities rapidly deteriorate over iterations, and the effectiveness of exploiting external rewards diminishes as well. Motivated by these findings, we introduce B-STaR, a Self-Taught Reasoning framework that autonomously adjusts configurations across iterations to Balance exploration and exploitation, thereby optimizing the self-improving effectiveness based on the current policy model and available rewards. Our experiments on mathematical reasoning, coding, and commonsense reasoning demonstrate that B-STaR not only enhances the model's exploratory capabilities throughout training but also achieves a more effective balance between exploration and exploitation, leading to superior performance.

In state-of-the-art self-supervised learning (SSL) pre-training produces semantically good representations by encouraging them to be invariant under meaningful transformations prescribed from human knowledge. In fact, the property of invariance is a trivial instance of a broader class called equivariance, which can be intuitively understood as the property that representations transform according to the way the inputs transform. Here, we show that rather than using only invariance, pre-training that encourages non-trivial equivariance to some transformations, while maintaining invariance to other transformations, can be used to improve the semantic quality of representations. Specifically, we extend popular SSL methods to a more general framework which we name Equivariant Self-Supervised Learning (E-SSL). In E-SSL, a simple additional pre-training objective encourages equivariance by predicting the transformations applied to the input. We demonstrate E-SSL's effectiveness empirically on several popular computer vision benchmarks, e.g. improving SimCLR to 72.5% linear probe accuracy on ImageNet. Furthermore, we demonstrate usefulness of E-SSL for applications beyond computer vision; in particular, we show its utility on regression problems in photonics science. Our code, datasets and pre-trained models are available at https://github.com/rdangovs/essl to aid further research in E-SSL.

Recent advances in generative models have significantly impacted game generation. However, despite producing high-quality graphics and adequately receiving player input, existing models often fail to maintain fundamental game properties such as numerical and spatial consistency. Numerical consistency ensures gameplay mechanics correctly reflect score changes and other quantitative elements, while spatial consistency prevents jarring scene transitions, providing seamless player experiences. In this paper, we revisit the paradigm of generative games to explore what truly constitutes a Model as a Game (MaaG) with a well-developed mechanism. We begin with an empirical study on ``Traveler'', a 2D game created by an LLM featuring minimalist rules yet challenging generative models in maintaining consistency. Based on the DiT architecture, we design two specialized modules: (1) a numerical module that integrates a LogicNet to determine event triggers, with calculations processed externally as conditions for image generation; and (2) a spatial module that maintains a map of explored areas, retrieving location-specific information during generation and linking new observations to ensure continuity. Experiments across three games demonstrate that our integrated modules significantly enhance performance on consistency metrics compared to baselines, while incurring minimal time overhead during inference.

We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.

Self-play, characterized by agents' interactions with copies or past versions of itself, has recently gained prominence in reinforcement learning. This paper first clarifies the preliminaries of self-play, including the multi-agent reinforcement learning framework and basic game theory concepts. Then it provides a unified framework and classifies existing self-play algorithms within this framework. Moreover, the paper bridges the gap between the algorithms and their practical implications by illustrating the role of self-play in different scenarios. Finally, the survey highlights open challenges and future research directions in self-play. This paper is an essential guide map for understanding the multifaceted landscape of self-play in RL.

Recent work has shown that models trained to the same objective, and which achieve similar measures of accuracy on consistent test data, may nonetheless behave very differently on individual predictions. This inconsistency is undesirable in high-stakes contexts, such as medical diagnosis and finance. We show that this inconsistent behavior extends beyond predictions to feature attributions, which may likewise have negative implications for the intelligibility of a model, and one's ability to find recourse for subjects. We then introduce selective ensembles to mitigate such inconsistencies by applying hypothesis testing to the predictions of a set of models trained using randomly-selected starting conditions; importantly, selective ensembles can abstain in cases where a consistent outcome cannot be achieved up to a specified confidence level. We prove that that prediction disagreement between selective ensembles is bounded, and empirically demonstrate that selective ensembles achieve consistent predictions and feature attributions while maintaining low abstention rates. On several benchmark datasets, selective ensembles reach zero inconsistently predicted points, with abstention rates as low 1.5%.

The fields of Origin of Life and Artificial Life both question what life is and how it emerges from a distinct set of "pre-life" dynamics. One common feature of most substrates where life emerges is a marked shift in dynamics when self-replication appears. While there are some hypotheses regarding how self-replicators arose in nature, we know very little about the general dynamics, computational principles, and necessary conditions for self-replicators to emerge. This is especially true on "computational substrates" where interactions involve logical, mathematical, or programming rules. In this paper we take a step towards understanding how self-replicators arise by studying several computational substrates based on various simple programming languages and machine instruction sets. We show that when random, non self-replicating programs are placed in an environment lacking any explicit fitness landscape, self-replicators tend to arise. We demonstrate how this occurs due to random interactions and self-modification, and can happen with and without background random mutations. We also show how increasingly complex dynamics continue to emerge following the rise of self-replicators. Finally, we show a counterexample of a minimalistic programming language where self-replicators are possible, but so far have not been observed to arise.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

Self-play alignment algorithms have been developed as effective methods for fine-tuning large language models (LLMs), formulating preference optimization as a two-player game. However, the regularization with respect to the reference policy, which is crucial for mitigating over-optimization, has been insufficiently investigated in self-play alignment. In this paper, we show that our regularization method can improve the unregularized self-play significantly. To study the impact of different regularizations in self-play alignment, we propose Regularized Self-Play Policy Optimization (RSPO). This generalized framework regularizes the self-play by simply adding a chosen regularization term into the loss while maintaining provable last-iterate convergence to the Nash Equilibrium of the corresponding regularized game. Surprisingly, empirical evaluations using the Mistral-7B-Instruct base model reveal that forward KL divergence regularization reduces response length in RSPO, whereas reverse KL divergence markedly improves raw win rates. RSPO with a linear combination of forward and reverse KL divergence regularization substantially increases the length-controlled win rate in AlpacaEval-2, elevating the unregularized self-play alignment method (SPPO) from 28.53% to 35.44%. Finally, we show that RSPO also improves the response diversity.

This paper reports on patterns exhibiting self-replication with spontaneous, inheritable mutations and exponential genetic drift in Neural Cellular Automata. Despite the models not being explicitly trained for mutation or inheritability, the descendant patterns exponentially drift away from ancestral patterns, even when the automaton is deterministic. While this is far from being the first instance of evolutionary dynamics in a cellular automaton, it is the first to do so by exploiting the power and convenience of Neural Cellular Automata, arguably increasing the space of variations and the opportunity for Open Ended Evolution.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Large Language Models (LLMs) have shown remarkable aptitude in code generation but still struggle on challenging programming tasks. Self-repair -- in which the model debugs and fixes mistakes in its own code -- has recently become a popular way to boost performance in these settings. However, only very limited studies on how and when self-repair works effectively exist in the literature, and one might wonder to what extent a model is really capable of providing accurate feedback on why the code is wrong when that code was generated by the same model. In this paper, we analyze GPT-3.5 and GPT-4's ability to perform self-repair on APPS, a challenging dataset consisting of diverse coding challenges. To do so, we first establish a new evaluation strategy dubbed pass@t that measures the pass rate of the tasks against the total number of tokens sampled from the model, enabling a fair comparison to purely sampling-based approaches. With this evaluation strategy, we find that the effectiveness of self-repair is only seen in GPT-4. We also observe that self-repair is bottlenecked by the feedback stage; using GPT-4 to give feedback on the programs generated by GPT-3.5 and using expert human programmers to give feedback on the programs generated by GPT-4, we unlock significant performance gains.

Reinforcement learning (RL) has improved guided image generation with diffusion models by directly optimizing rewards that capture image quality, aesthetics, and instruction following capabilities. However, the resulting generative policies inherit the same iterative sampling process of diffusion models that causes slow generation. To overcome this limitation, consistency models proposed learning a new class of generative models that directly map noise to data, resulting in a model that can generate an image in as few as one sampling iteration. In this work, to optimize text-to-image generative models for task specific rewards and enable fast training and inference, we propose a framework for fine-tuning consistency models via RL. Our framework, called Reinforcement Learning for Consistency Model (RLCM), frames the iterative inference process of a consistency model as an RL procedure. RLCM improves upon RL fine-tuned diffusion models on text-to-image generation capabilities and trades computation during inference time for sample quality. Experimentally, we show that RLCM can adapt text-to-image consistency models to objectives that are challenging to express with prompting, such as image compressibility, and those derived from human feedback, such as aesthetic quality. Comparing to RL finetuned diffusion models, RLCM trains significantly faster, improves the quality of the generation measured under the reward objectives, and speeds up the inference procedure by generating high quality images with as few as two inference steps. Our code is available at https://rlcm.owenoertell.com

Self-distillation (SD) is the process of first training a teacher model and then using its predictions to train a student model with the same architecture. Specifically, the student's objective function is big(xi*ell(teacher's predictions, student's predictions) + (1-xi)*ell(given labels, student's predictions)big), where ell is some loss function and xi is some parameter in [0,1]. Empirically, SD has been observed to provide performance gains in several settings. In this paper, we theoretically characterize the effect of SD in two supervised learning problems with noisy labels. We first analyze SD for regularized linear regression and show that in the high label noise regime, the optimal value of xi that minimizes the expected error in estimating the ground truth parameter is surprisingly greater than 1. Empirically, we show that xi > 1 works better than xi leq 1 even with the cross-entropy loss for several classification datasets when 50\% or 30\% of the labels are corrupted. Further, we quantify when optimal SD is better than optimal regularization. Next, we analyze SD in the case of logistic regression for binary classification with random label corruption and quantify the range of label corruption in which the student outperforms the teacher in terms of accuracy. To our knowledge, this is the first result of its kind for the cross-entropy loss.

Molecule generation is advancing rapidly in chemical discovery and drug design. Flow matching methods have recently set the state of the art (SOTA) in unconditional molecule generation, surpassing score-based diffusion models. However, diffusion models still lead in property-guided generation. In this work, we introduce PropMolFlow, a novel approach for property-guided molecule generation based on geometry-complete SE(3)-equivariant flow matching. Integrating five different property embedding methods with a Gaussian expansion of scalar properties, PropMolFlow outperforms previous SOTA diffusion models in conditional molecule generation across various properties while preserving the stability and validity of the generated molecules, consistent with its unconditional counterpart. Additionally, it enables faster inference with significantly fewer time steps compared to baseline models. We highlight the importance of validating the properties of generated molecules through DFT calculations performed at the same level of theory as the training data. Specifically, our analysis identifies properties that require DFT validation and others where a pretrained SE(3) geometric vector perceptron regressors provide sufficiently accurate predictions on generated molecules. Furthermore, we introduce a new property metric designed to assess the model's ability to propose molecules with underrepresented property values, assessing its capacity for out-of-distribution generalization. Our findings reveal shortcomings in existing structural metrics, which mistakenly validate open-shell molecules or molecules with invalid valence-charge configurations, underscoring the need for improved evaluation frameworks. Overall, this work paves the way for developing targeted property-guided generation methods, enhancing the design of molecular generative models for diverse applications.

We propose Self-Control, a novel method utilizing suffix gradients to control the behavior of large language models (LLMs) without explicit human annotations. Given a guideline expressed in suffix string and the model's self-assessment of adherence, Self-Control computes the gradient of this self-judgment concerning the model's hidden states, directly influencing the auto-regressive generation process towards desired behaviors. To enhance efficiency, we introduce Self-Control_{prefix}, a compact module that encapsulates the learned representations from suffix gradients into a Prefix Controller, facilitating inference-time control for various LLM behaviors. Our experiments demonstrate Self-Control's efficacy across multiple domains, including emotional modulation, ensuring harmlessness, and enhancing complex reasoning. Especially, Self-Control_{prefix} enables a plug-and-play control and jointly controls multiple attributes, improving model outputs without altering model parameters or increasing inference-time costs.

Self-correction has demonstrated potential in code generation by allowing language models to revise and improve their outputs through successive refinement. Recent studies have explored prompting-based strategies that incorporate verification or feedback loops using proprietary models, as well as training-based methods that leverage their strong reasoning capabilities. However, whether smaller models possess the capacity to effectively guide their outputs through self-reflection remains unexplored. Our findings reveal that smaller models struggle to exhibit reflective revision behavior across both self-correction paradigms. In response, we introduce CoCoS, an approach designed to enhance the ability of small language models for multi-turn code correction. Specifically, we propose an online reinforcement learning objective that trains the model to confidently maintain correct outputs while progressively correcting incorrect outputs as turns proceed. Our approach features an accumulated reward function that aggregates rewards across the entire trajectory and a fine-grained reward better suited to multi-turn correction scenarios. This facilitates the model in enhancing initial response quality while achieving substantial improvements through self-correction. With 1B-scale models, CoCoS achieves improvements of 35.8% on the MBPP and 27.7% on HumanEval compared to the baselines.

Humans possess the ability to draw on past experiences explicitly when learning new tasks and applying them accordingly. We believe this capacity for self-referencing is especially advantageous for reinforcement learning agents in the unsupervised pretrain-then-finetune setting. During pretraining, an agent's past experiences can be explicitly utilized to mitigate the nonstationarity of intrinsic rewards. In the finetuning phase, referencing historical trajectories prevents the unlearning of valuable exploratory behaviors. Motivated by these benefits, we propose the Self-Reference (SR) approach, an add-on module explicitly designed to leverage historical information and enhance agent performance within the pretrain-finetune paradigm. Our approach achieves state-of-the-art results in terms of Interquartile Mean (IQM) performance and Optimality Gap reduction on the Unsupervised Reinforcement Learning Benchmark for model-free methods, recording an 86% IQM and a 16% Optimality Gap. Additionally, it improves current algorithms by up to 17% IQM and reduces the Optimality Gap by 31%. Beyond performance enhancement, the Self-Reference add-on also increases sample efficiency, a crucial attribute for real-world applications.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

We address the challenge of online Reinforcement Learning from Human Feedback (RLHF) with a focus on self-rewarding alignment methods. In online RLHF, obtaining feedback requires interaction with the environment, which can be costly when using additional reward models or the GPT-4 API. Current self-rewarding approaches rely heavily on the discriminator's judgment capabilities, which are effective for large-scale models but challenging to transfer to smaller ones. To address these limitations, we propose a novel, only-prompting self-rewarding online algorithm that generates preference datasets without relying on judgment capabilities. Additionally, we employ fine-grained arithmetic control over the optimality gap between positive and negative examples, generating more hard negatives in the later stages of training to help the model better capture subtle human preferences. Finally, we conduct extensive experiments on two base models, Mistral-7B and Mistral-Instruct-7B, which significantly bootstrap the performance of the reference model, achieving 34.5% in the Length-controlled Win Rates of AlpacaEval 2.0.

Self-supervision has the potential to transform reinforcement learning (RL), paralleling the breakthroughs it has enabled in other areas of machine learning. While self-supervised learning in other domains aims to find patterns in a fixed dataset, self-supervised goal-conditioned reinforcement learning (GCRL) agents discover new behaviors by learning from the goals achieved during unstructured interaction with the environment. However, these methods have failed to see similar success, both due to a lack of data from slow environment simulations as well as a lack of stable algorithms. We take a step toward addressing both of these issues by releasing a high-performance codebase and benchmark (JaxGCRL) for self-supervised GCRL, enabling researchers to train agents for millions of environment steps in minutes on a single GPU. By utilizing GPU-accelerated replay buffers, environments, and a stable contrastive RL algorithm, we reduce training time by up to 22times. Additionally, we assess key design choices in contrastive RL, identifying those that most effectively stabilize and enhance training performance. With this approach, we provide a foundation for future research in self-supervised GCRL, enabling researchers to quickly iterate on new ideas and evaluate them in diverse and challenging environments. Website + Code: https://github.com/MichalBortkiewicz/JaxGCRL

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

Fine-tuning Diffusion Models remains an underexplored frontier in generative artificial intelligence (GenAI), especially when compared with the remarkable progress made in fine-tuning Large Language Models (LLMs). While cutting-edge diffusion models such as Stable Diffusion (SD) and SDXL rely on supervised fine-tuning, their performance inevitably plateaus after seeing a certain volume of data. Recently, reinforcement learning (RL) has been employed to fine-tune diffusion models with human preference data, but it requires at least two images ("winner" and "loser" images) for each text prompt. In this paper, we introduce an innovative technique called self-play fine-tuning for diffusion models (SPIN-Diffusion), where the diffusion model engages in competition with its earlier versions, facilitating an iterative self-improvement process. Our approach offers an alternative to conventional supervised fine-tuning and RL strategies, significantly improving both model performance and alignment. Our experiments on the Pick-a-Pic dataset reveal that SPIN-Diffusion outperforms the existing supervised fine-tuning method in aspects of human preference alignment and visual appeal right from its first iteration. By the second iteration, it exceeds the performance of RLHF-based methods across all metrics, achieving these results with less data.

High-quality preference data is essential for aligning foundation models with human values through preference learning. However, manual annotation of such data is often time-consuming and costly. Recent methods often adopt a self-rewarding approach, where the target model generates and annotates its own preference data, but this can lead to inaccuracies since the reward model shares weights with the target model, thereby amplifying inherent biases. To address these issues, we propose Anyprefer, a framework designed to synthesize high-quality preference data for aligning the target model. Anyprefer frames the data synthesis process as a cooperative two-player Markov Game, where the target model and the judge model collaborate together. Here, a series of external tools are introduced to assist the judge model in accurately rewarding the target model's responses, mitigating biases in the rewarding process. In addition, a feedback mechanism is introduced to optimize prompts for both models, enhancing collaboration and improving data quality. The synthesized data is compiled into a new preference dataset, Anyprefer-V1, consisting of 58K high-quality preference pairs. Extensive experiments show that Anyprefer significantly improves model alignment performance across four main applications, covering 21 datasets, achieving average improvements of 18.55% in five natural language generation datasets, 3.66% in nine vision-language understanding datasets, 30.05% in three medical image analysis datasets, and 16.00% in four visuo-motor control tasks.

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.

Decentralized reputation schemes present a promising area of experimentation in blockchain applications. These solutions aim to overcome the shortcomings of simple monetary incentive mechanisms of naive tokenomics. However, there is a significant research gap regarding the limitations and benefits of such solutions. We formulate these trade-offs as a conjecture on the irreconcilability of three desirable properties of the reputation system in this context. Such a system can not be simultaneously generalizable, trustless, and Sybil resistant. To handle the limitations of this trilemma, we propose MeritRank: Sybil tolerant feedback aggregation mechanism for reputation. Instead of preventing Sybil attacks, our approach successfully bounds the benefits of these attacks. Using a dataset of participants' interactions in MakerDAO, we run experiments to demonstrate Sybil tolerance of MeritRank. Decay parameters of reputation in MeritRank: transitivity decay and connectivity decay, allow for a fine-tuning of desirable levels of reputation utility and Sybil tolerance in different use contexts.

Representations are at the core of all deep reinforcement learning (RL) methods for both Markov decision processes (MDPs) and partially observable Markov decision processes (POMDPs). Many representation learning methods and theoretical frameworks have been developed to understand what constitutes an effective representation. However, the relationships between these methods and the shared properties among them remain unclear. In this paper, we show that many of these seemingly distinct methods and frameworks for state and history abstractions are, in fact, based on a common idea of self-predictive abstraction. Furthermore, we provide theoretical insights into the widely adopted objectives and optimization, such as the stop-gradient technique, in learning self-predictive representations. These findings together yield a minimalist algorithm to learn self-predictive representations for states and histories. We validate our theories by applying our algorithm to standard MDPs, MDPs with distractors, and POMDPs with sparse rewards. These findings culminate in a set of preliminary guidelines for RL practitioners.

Reinforcement Learning (RL) has played a central role in the recent surge of LLMs' math abilities by enabling self-improvement through binary verifier signals. In contrast, Supervised Learning (SL) is rarely considered for such verification-driven training, largely due to its heavy reliance on reference answers and inability to reflect on mistakes. In this work, we challenge the prevailing notion that self-improvement is exclusive to RL and propose Negative-aware Fine-Tuning (NFT) -- a supervised approach that enables LLMs to reflect on their failures and improve autonomously with no external teachers. In online training, instead of throwing away self-generated negative answers, NFT constructs an implicit negative policy to model them. This implicit policy is parameterized with the same positive LLM we target to optimize on positive data, enabling direct policy optimization on all LLMs' generations. We conduct experiments on 7B and 32B models in math reasoning tasks. Results consistently show that through the additional leverage of negative feedback, NFT significantly improves over SL baselines like Rejection sampling Fine-Tuning, matching or even surpassing leading RL algorithms like GRPO and DAPO. Furthermore, we demonstrate that NFT and GRPO are actually equivalent in strict-on-policy training, even though they originate from entirely different theoretical foundations. Our experiments and theoretical findings bridge the gap between SL and RL methods in binary-feedback learning systems.

Uniformity plays a crucial role in the assessment of learned representations, contributing to a deeper comprehension of self-supervised learning. The seminal work by Wang2020UnderstandingCR introduced a uniformity metric that quantitatively measures the collapse degree of learned representations. Directly optimizing this metric together with alignment proves to be effective in preventing constant collapse. However, we present both theoretical and empirical evidence revealing that this metric lacks sensitivity to dimensional collapse, highlighting its limitations. To address this limitation and design a more effective uniformity metric, this paper identifies five fundamental properties, some of which the existing uniformity metric fails to meet. We subsequently introduce a novel uniformity metric that satisfies all of these desiderata and exhibits sensitivity to dimensional collapse. When applied as an auxiliary loss in various established self-supervised methods, our proposed uniformity metric consistently enhances their performance in downstream tasks.Our code was released at https://github.com/sunset-clouds/WassersteinUniformityMetric.

Traditional reinforcement learning from human feedback (RLHF) approaches relying on parametric models like the Bradley-Terry model fall short in capturing the intransitivity and irrationality in human preferences. Recent advancements suggest that directly working with preference probabilities can yield a more accurate reflection of human preferences, enabling more flexible and accurate language model alignment. In this paper, we propose a self-play-based method for language model alignment, which treats the problem as a constant-sum two-player game aimed at identifying the Nash equilibrium policy. Our approach, dubbed Self-Play Preference Optimization (SPPO), approximates the Nash equilibrium through iterative policy updates and enjoys theoretical convergence guarantee. Our method can effectively increase the log-likelihood of the chosen response and decrease that of the rejected response, which cannot be trivially achieved by symmetric pairwise loss such as Direct Preference Optimization (DPO) and Identity Preference Optimization (IPO). In our experiments, using only 60k prompts (without responses) from the UltraFeedback dataset and without any prompt augmentation, by leveraging a pre-trained preference model PairRM with only 0.4B parameters, SPPO can obtain a model from fine-tuning Mistral-7B-Instruct-v0.2 that achieves the state-of-the-art length-controlled win-rate of 28.53% against GPT-4-Turbo on AlpacaEval 2.0. It also outperforms the (iterative) DPO and IPO on MT-Bench and the Open LLM Leaderboard. Notably, the strong performance of SPPO is achieved without additional external supervision (e.g., responses, preferences, etc.) from GPT-4 or other stronger language models.

We study the behavior of deterministic methods for solving inverse problems in imaging. These methods are commonly designed to achieve two goals: (1) attaining high perceptual quality, and (2) generating reconstructions that are consistent with the measurements. We provide a rigorous proof that the better a predictor satisfies these two requirements, the larger its Lipschitz constant must be, regardless of the nature of the degradation involved. In particular, to approach perfect perceptual quality and perfect consistency, the Lipschitz constant of the model must grow to infinity. This implies that such methods are necessarily more susceptible to adversarial attacks. We demonstrate our theory on single image super-resolution algorithms, addressing both noisy and noiseless settings. We also show how this undesired behavior can be leveraged to explore the posterior distribution, thereby allowing the deterministic model to imitate stochastic methods.

The consistency model (CM) has recently made significant progress in accelerating the generation of diffusion models. However, its application to high-resolution, text-conditioned image generation in the latent space (a.k.a., LCM) remains unsatisfactory. In this paper, we identify three key flaws in the current design of LCM. We investigate the reasons behind these limitations and propose the Phased Consistency Model (PCM), which generalizes the design space and addresses all identified limitations. Our evaluations demonstrate that PCM significantly outperforms LCM across 1--16 step generation settings. While PCM is specifically designed for multi-step refinement, it achieves even superior or comparable 1-step generation results to previously state-of-the-art specifically designed 1-step methods. Furthermore, we show that PCM's methodology is versatile and applicable to video generation, enabling us to train the state-of-the-art few-step text-to-video generator. More details are available at https://g-u-n.github.io/projects/pcm/.

Diffusion-based stylization methods typically denoise from a specific partial noise state for image-to-image and video-to-video tasks. This multi-step diffusion process is computationally expensive and hinders real-world application. A promising solution to speed up the process is to obtain few-step consistency models through trajectory distillation. However, current consistency models only force the initial-step alignment between the probability flow ODE (PF-ODE) trajectories of the student and the imperfect teacher models. This training strategy can not ensure the consistency of whole trajectories. To address this issue, we propose single trajectory distillation (STD) starting from a specific partial noise state. We introduce a trajectory bank to store the teacher model's trajectory states, mitigating the time cost during training. Besides, we use an asymmetric adversarial loss to enhance the style and quality of the generated images. Extensive experiments on image and video stylization demonstrate that our method surpasses existing acceleration models in terms of style similarity and aesthetic evaluations. Our code and results will be available on the project page: https://single-trajectory-distillation.github.io.

We investigate the construction of latent spaces through self-supervised learning to support semantically meaningful operations. Analogous to operational amplifiers, these "operational latent spaces" (OpLaS) not only demonstrate semantic structure such as clustering but also support common transformational operations with inherent semantic meaning. Some operational latent spaces are found to have arisen "unintentionally" in the progress toward some (other) self-supervised learning objective, in which unintended but still useful properties are discovered among the relationships of points in the space. Other spaces may be constructed "intentionally" by developers stipulating certain kinds of clustering or transformations intended to produce the desired structure. We focus on the intentional creation of operational latent spaces via self-supervised learning, including the introduction of rotation operators via a novel "FiLMR" layer, which can be used to enable ring-like symmetries found in some musical constructions.

Diffusion models are relatively easy to train but require many steps to generate samples. Consistency models are far more difficult to train, but generate samples in a single step. In this paper we propose Multistep Consistency Models: A unification between Consistency Models (Song et al., 2023) and TRACT (Berthelot et al., 2023) that can interpolate between a consistency model and a diffusion model: a trade-off between sampling speed and sampling quality. Specifically, a 1-step consistency model is a conventional consistency model whereas we show that a infty-step consistency model is a diffusion model. Multistep Consistency Models work really well in practice. By increasing the sample budget from a single step to 2-8 steps, we can train models more easily that generate higher quality samples, while retaining much of the sampling speed benefits. Notable results are 1.4 FID on Imagenet 64 in 8 step and 2.1 FID on Imagenet128 in 8 steps with consistency distillation. We also show that our method scales to a text-to-image diffusion model, generating samples that are very close to the quality of the original model.

Building world models that accurately and comprehensively represent the real world is the utmost aspiration for conditional image generative models as it would enable their use as world simulators. For these models to be successful world models, they should not only excel at image quality and prompt-image consistency but also ensure high representation diversity. However, current research in generative models mostly focuses on creative applications that are predominantly concerned with human preferences of image quality and aesthetics. We note that generative models have inference time mechanisms - or knobs - that allow the control of generation consistency, quality, and diversity. In this paper, we use state-of-the-art text-to-image and image-and-text-to-image models and their knobs to draw consistency-diversity-realism Pareto fronts that provide a holistic view on consistency-diversity-realism multi-objective. Our experiments suggest that realism and consistency can both be improved simultaneously; however there exists a clear tradeoff between realism/consistency and diversity. By looking at Pareto optimal points, we note that earlier models are better at representation diversity and worse in consistency/realism, and more recent models excel in consistency/realism while decreasing significantly the representation diversity. By computing Pareto fronts on a geodiverse dataset, we find that the first version of latent diffusion models tends to perform better than more recent models in all axes of evaluation, and there exist pronounced consistency-diversity-realism disparities between geographical regions. Overall, our analysis clearly shows that there is no best model and the choice of model should be determined by the downstream application. With this analysis, we invite the research community to consider Pareto fronts as an analytical tool to measure progress towards world models.

Recently, there has been significant interest in replacing the reward model in Reinforcement Learning with Human Feedback (RLHF) methods for Large Language Models (LLMs), such as Direct Preference Optimization (DPO) and its variants. These approaches commonly use a binary cross-entropy mechanism on pairwise samples, i.e., minimizing and maximizing the loss based on preferred or dis-preferred responses, respectively. However, while this training strategy omits the reward model, it also overlooks the varying preference degrees within different responses. We hypothesize that this is a key factor hindering LLMs from sufficiently understanding human preferences. To address this problem, we propose a novel Self-supervised Preference Optimization (SPO) framework, which constructs a self-supervised preference degree loss combined with the alignment loss, thereby helping LLMs improve their ability to understand the degree of preference. Extensive experiments are conducted on two widely used datasets of different tasks. The results demonstrate that SPO can be seamlessly integrated with existing preference optimization methods and significantly boost their performance to achieve state-of-the-art performance. We also conduct detailed analyses to offer comprehensive insights into SPO, which verifies its effectiveness. The code is available at https://github.com/lijian16/SPO.

Diffusion models have shown promising ability in generating high-quality time series (TS) data. Despite the initial success, existing works mostly focus on the authenticity of data at the individual level, but pay less attention to preserving the population-level properties on the entire dataset. Such population-level properties include value distributions for each dimension and distributions of certain functional dependencies (e.g., cross-correlation, CC) between different dimensions. For instance, when generating house energy consumption TS data, the value distributions of the outside temperature and the kitchen temperature should be preserved, as well as the distribution of CC between them. Preserving such TS population-level properties is critical in maintaining the statistical insights of the datasets, mitigating model bias, and augmenting downstream tasks like TS prediction. Yet, it is often overlooked by existing models. Hence, data generated by existing models often bear distribution shifts from the original data. We propose Population-aware Diffusion for Time Series (PaD-TS), a new TS generation model that better preserves the population-level properties. The key novelties of PaD-TS include 1) a new training method explicitly incorporating TS population-level property preservation, and 2) a new dual-channel encoder model architecture that better captures the TS data structure. Empirical results in major benchmark datasets show that PaD-TS can improve the average CC distribution shift score between real and synthetic data by 5.9x while maintaining a performance comparable to state-of-the-art models on individual-level authenticity.

This position paper argues that the theoretical inconsistency often observed among Responsible AI (RAI) metrics, such as differing fairness definitions or tradeoffs between accuracy and privacy, should be embraced as a valuable feature rather than a flaw to be eliminated. We contend that navigating these inconsistencies, by treating metrics as divergent objectives, yields three key benefits: (1) Normative Pluralism: Maintaining a full suite of potentially contradictory metrics ensures that the diverse moral stances and stakeholder values inherent in RAI are adequately represented. (2) Epistemological Completeness: The use of multiple, sometimes conflicting, metrics allows for a more comprehensive capture of multifaceted ethical concepts, thereby preserving greater informational fidelity about these concepts than any single, simplified definition. (3) Implicit Regularization: Jointly optimizing for theoretically conflicting objectives discourages overfitting to one specific metric, steering models towards solutions with enhanced generalization and robustness under real-world complexities. In contrast, efforts to enforce theoretical consistency by simplifying or pruning metrics risk narrowing this value diversity, losing conceptual depth, and degrading model performance. We therefore advocate for a shift in RAI theory and practice: from getting trapped in inconsistency to characterizing acceptable inconsistency thresholds and elucidating the mechanisms that permit robust, approximated consistency in practice.

In most real world scenarios, a policy trained by reinforcement learning in one environment needs to be deployed in another, potentially quite different environment. However, generalization across different environments is known to be hard. A natural solution would be to keep training after deployment in the new environment, but this cannot be done if the new environment offers no reward signal. Our work explores the use of self-supervision to allow the policy to continue training after deployment without using any rewards. While previous methods explicitly anticipate changes in the new environment, we assume no prior knowledge of those changes yet still obtain significant improvements. Empirical evaluations are performed on diverse simulation environments from DeepMind Control suite and ViZDoom, as well as real robotic manipulation tasks in continuously changing environments, taking observations from an uncalibrated camera. Our method improves generalization in 31 out of 36 environments across various tasks and outperforms domain randomization on a majority of environments.

We formalize constraint-based structure learning of the "true" causal graph from observed data when unobserved variables are also existent. We provide conditions for a "natural" family of constraint-based structure-learning algorithms that output graphs that are Markov equivalent to the causal graph. Under the faithfulness assumption, this natural family contains all exact structure-learning algorithms. We also provide a set of assumptions, under which any natural structure-learning algorithm outputs Markov equivalent graphs to the causal graph. These assumptions can be thought of as a relaxation of faithfulness, and most of them can be directly tested from (the underlying distribution) of the data, particularly when one focuses on structural causal models. We specialize the definitions and results for structural causal models.

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

When artificial agents are jointly trained to perform collaborative tasks using a communication channel, they develop opaque goal-oriented communication protocols. Good task performance is often considered sufficient evidence that meaningful communication is taking place, but existing empirical results show that communication strategies induced by common objectives can be counterintuitive whilst solving the task nearly perfectly. In this work, we identify a goal-agnostic prerequisite to meaningful communication, which we term semantic consistency, based on the idea that messages should have similar meanings across instances. We provide a formal definition for this idea, and use it to compare the two most common objectives in the field of emergent communication: discrimination and reconstruction. We prove, under mild assumptions, that semantically inconsistent communication protocols can be optimal solutions to the discrimination task, but not to reconstruction. We further show that the reconstruction objective encourages a stricter property, spatial meaningfulness, which also accounts for the distance between messages. Experiments with emergent communication games validate our theoretical results. These findings demonstrate an inherent advantage of distance-based communication goals, and contextualize previous empirical discoveries.

In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.

Deep Learning is often depicted as a trio of data-architecture-loss. Yet, recent Self Supervised Learning (SSL) solutions have introduced numerous additional design choices, e.g., a projector network, positive views, or teacher-student networks. These additions pose two challenges. First, they limit the impact of theoretical studies that often fail to incorporate all those intertwined designs. Second, they slow-down the deployment of SSL methods to new domains as numerous hyper-parameters need to be carefully tuned. In this study, we bring forward the surprising observation that--at least for pretraining datasets of up to a few hundred thousands samples--the additional designs introduced by SSL do not contribute to the quality of the learned representations. That finding not only provides legitimacy to existing theoretical studies, but also simplifies the practitioner's path to SSL deployment in numerous small and medium scale settings. Our finding answers a long-lasting question: the often-experienced sensitivity to training settings and hyper-parameters encountered in SSL come from their design, rather than the absence of supervised guidance.

While the field of Quality-Diversity (QD) has grown into a distinct branch of stochastic optimization, a few problems, in particular locomotion and navigation tasks, have become de facto standards. Are such benchmarks sufficient? Are they representative of the key challenges faced by QD algorithms? Do they provide the ability to focus on one particular challenge by properly disentangling it from others? Do they have much predictive power in terms of scalability and generalization? Existing benchmarks are not standardized, and there is currently no MNIST equivalent for QD. Inspired by recent works on Reinforcement Learning benchmarks, we argue that the identification of challenges faced by QD methods and the development of targeted, challenging, scalable but affordable benchmarks is an important step. As an initial effort, we identify three problems that are challenging in sparse reward settings, and propose associated benchmarks: (1) Behavior metric bias, which can result from the use of metrics that do not match the structure of the behavior space. (2) Behavioral Plateaus, with varying characteristics, such that escaping them would require adaptive QD algorithms and (3) Evolvability Traps, where small variations in genotype result in large behavioral changes. The environments that we propose satisfy the properties listed above.

Large Language Models (LLMs) are transforming society and permeating into diverse applications. As a result, LLMs will frequently interact with us and other agents. It is, therefore, of great societal value to understand how LLMs behave in interactive social settings. Here, we propose to use behavioral game theory to study LLM's cooperation and coordination behavior. To do so, we let different LLMs (GPT-3, GPT-3.5, and GPT-4) play finitely repeated games with each other and with other, human-like strategies. Our results show that LLMs generally perform well in such tasks and also uncover persistent behavioral signatures. In a large set of two players-two strategies games, we find that LLMs are particularly good at games where valuing their own self-interest pays off, like the iterated Prisoner's Dilemma family. However, they behave sub-optimally in games that require coordination. We, therefore, further focus on two games from these distinct families. In the canonical iterated Prisoner's Dilemma, we find that GPT-4 acts particularly unforgivingly, always defecting after another agent has defected only once. In the Battle of the Sexes, we find that GPT-4 cannot match the behavior of the simple convention to alternate between options. We verify that these behavioral signatures are stable across robustness checks. Finally, we show how GPT-4's behavior can be modified by providing further information about the other player as well as by asking it to predict the other player's actions before making a choice. These results enrich our understanding of LLM's social behavior and pave the way for a behavioral game theory for machines.

We study the impact on mechanisms for facility location of moving from one dimension to two (or more) dimensions and Euclidean or Manhattan distances. We consider three fundamental axiomatic properties: anonymity which is a basic fairness property, Pareto optimality which is one of the most important efficiency properties, and strategy proofness which ensures agents do not have an incentive to mis-report. We also consider how well such mechanisms can approximate the optimal welfare. Our results are somewhat negative. Moving from one dimension to two (or more) dimensions often makes these axiomatic properties more difficult to achieve. For example, with two facilities in Euclidean space or with just a single facility in Manhattan space, no mechanism is anonymous, Pareto optimal and strategy proof. By contrast, mechanisms on the line exist with all three properties.We also show that approximation ratios may increase when moving to two (or more) dimensions. All our impossibility results are minimal. If we drop one of the three axioms (anonymity, Pareto optimality or strategy proofness) multiple mechanisms satisfy the other two axioms.

Large language models (LLMs) excel at reasoning, yet post-training remains critical for aligning their behavior with task goals. Existing reinforcement learning (RL) methods often depend on costly human annotations or external reward models. We propose Reinforcement Learning via Self-Confidence (RLSC), which uses the model's own confidence as reward signals-eliminating the need for labels, preference models, or reward engineering. Applied to Qwen2.5-Math-7B with only 16 samples per question and 10 or 20 training steps, RLSC improves accuracy by +13.4% on AIME2024, +21.2% on MATH500, +21.7% on Minerva Math, +20.8% on Olympiadbench, and +9.7% on AMC23. RLSC provides a simple, scalable post-training method for inference models, requiring only a small number of samples and unlabelled supervision.

Past analyses of reinforcement learning from human feedback (RLHF) assume that the human fully observes the environment. What happens when human feedback is based only on partial observations? We formally define two failure cases: deception and overjustification. Modeling the human as Boltzmann-rational w.r.t. a belief over trajectories, we prove conditions under which RLHF is guaranteed to result in policies that deceptively inflate their performance, overjustify their behavior to make an impression, or both. To help address these issues, we mathematically characterize how partial observability of the environment translates into (lack of) ambiguity in the learned return function. In some cases, accounting for partial observability makes it theoretically possible to recover the return function and thus the optimal policy, while in other cases, there is irreducible ambiguity. We caution against blindly applying RLHF in partially observable settings and propose research directions to help tackle these challenges.

Imitation learning considerably simplifies policy synthesis compared to alternative approaches by exploiting access to expert demonstrations. For such imitation policies, errors away from the training samples are particularly critical. Even rare slip-ups in the policy action outputs can compound quickly over time, since they lead to unfamiliar future states where the policy is still more likely to err, eventually causing task failures. We revisit simple supervised ``behavior cloning'' for conveniently training the policy from nothing more than pre-recorded demonstrations, but carefully design the model class to counter the compounding error phenomenon. Our ``memory-consistent neural network'' (MCNN) outputs are hard-constrained to stay within clearly specified permissible regions anchored to prototypical ``memory'' training samples. We provide a guaranteed upper bound for the sub-optimality gap induced by MCNN policies. Using MCNNs on 10 imitation learning tasks, with MLP, Transformer, and Diffusion backbones, spanning dexterous robotic manipulation and driving, proprioceptive inputs and visual inputs, and varying sizes and types of demonstration data, we find large and consistent gains in performance, validating that MCNNs are better-suited than vanilla deep neural networks for imitation learning applications. Website: https://sites.google.com/view/mcnn-imitation

Knowledge distillation is classically a procedure where a neural network is trained on the output of another network along with the original targets in order to transfer knowledge between the architectures. The special case of self-distillation, where the network architectures are identical, has been observed to improve generalization accuracy. In this paper, we consider an iterative variant of self-distillation in a kernel regression setting, in which successive steps incorporate both model outputs and the ground-truth targets. This allows us to provide the first theoretical results on the importance of using the weighted ground-truth targets in self-distillation. Our focus is on fitting nonlinear functions to training data with a weighted mean square error objective function suitable for distillation, subject to ell_2 regularization of the model parameters. We show that any such function obtained with self-distillation can be calculated directly as a function of the initial fit, and that infinite distillation steps yields the same optimization problem as the original with amplified regularization. Furthermore, we provide a closed form solution for the optimal choice of weighting parameter at each step, and show how to efficiently estimate this weighting parameter for deep learning and significantly reduce the computational requirements compared to a grid search.

Consistency Models (CM) (Song et al., 2023) accelerate score-based diffusion model sampling at the cost of sample quality but lack a natural way to trade-off quality for speed. To address this limitation, we propose Consistency Trajectory Model (CTM), a generalization encompassing CM and score-based models as special cases. CTM trains a single neural network that can -- in a single forward pass -- output scores (i.e., gradients of log-density) and enables unrestricted traversal between any initial and final time along the Probability Flow Ordinary Differential Equation (ODE) in a diffusion process. CTM enables the efficient combination of adversarial training and denoising score matching loss to enhance performance and achieves new state-of-the-art FIDs for single-step diffusion model sampling on CIFAR-10 (FID 1.73) and ImageNet at 64x64 resolution (FID 1.92). CTM also enables a new family of sampling schemes, both deterministic and stochastic, involving long jumps along the ODE solution trajectories. It consistently improves sample quality as computational budgets increase, avoiding the degradation seen in CM. Furthermore, unlike CM, CTM's access to the score function can streamline the adoption of established controllable/conditional generation methods from the diffusion community. This access also enables the computation of likelihood. The code is available at https://github.com/sony/ctm.

An agent trained within a closed system can master any desired capability, as long as the following three conditions hold: (a) it receives sufficiently informative and aligned feedback, (b) its coverage of experience/data is broad enough, and (c) it has sufficient capacity and resource. In this position paper, we justify these conditions, and consider what limitations arise from (a) and (b) in closed systems, when assuming that (c) is not a bottleneck. Considering the special case of agents with matching input and output spaces (namely, language), we argue that such pure recursive self-improvement, dubbed "Socratic learning", can boost performance vastly beyond what is present in its initial data or knowledge, and is only limited by time, as well as gradual misalignment concerns. Furthermore, we propose a constructive framework to implement it, based on the notion of language games.

Neural networks have achieved remarkable success across various fields. However, the lack of interpretability limits their practical use, particularly in critical decision-making scenarios. Post-hoc interpretability, which provides explanations for pre-trained models, is often at risk of robustness and fidelity. This has inspired a rising interest in self-interpretable neural networks, which inherently reveal the prediction rationale through the model structures. Although there exist surveys on post-hoc interpretability, a comprehensive and systematic survey of self-interpretable neural networks is still missing. To address this gap, we first collect and review existing works on self-interpretable neural networks and provide a structured summary of their methodologies from five key perspectives: attribution-based, function-based, concept-based, prototype-based, and rule-based self-interpretation. We also present concrete, visualized examples of model explanations and discuss their applicability across diverse scenarios, including image, text, graph data, and deep reinforcement learning. Additionally, we summarize existing evaluation metrics for self-interpretability and identify open challenges in this field, offering insights for future research. To support ongoing developments, we present a publicly accessible resource to track advancements in this domain: https://github.com/yangji721/Awesome-Self-Interpretable-Neural-Network.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Developing deep learning models that effectively learn object-centric representations, akin to human cognition, remains a challenging task. Existing approaches facilitate object discovery by representing objects as fixed-size vectors, called ``slots'' or ``object files''. While these approaches have shown promise in certain scenarios, they still exhibit certain limitations. First, they rely on architectural priors which can be unreliable and usually require meticulous engineering to identify the correct objects. Second, there has been a notable gap in investigating the practical utility of these representations in downstream tasks. To address the first limitation, we introduce a method that explicitly optimizes the constraint that each object in a scene should be associated with a distinct slot. We formalize this constraint by introducing consistency objectives which are cyclic in nature. By integrating these consistency objectives into various existing slot-based object-centric methods, we showcase substantial improvements in object-discovery performance. These enhancements consistently hold true across both synthetic and real-world scenes, underscoring the effectiveness and adaptability of the proposed approach. To tackle the second limitation, we apply the learned object-centric representations from the proposed method to two downstream reinforcement learning tasks, demonstrating considerable performance enhancements compared to conventional slot-based and monolithic representation learning methods. Our results suggest that the proposed approach not only improves object discovery, but also provides richer features for downstream tasks.

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.

Exploration in environments which differ across episodes has received increasing attention in recent years. Current methods use some combination of global novelty bonuses, computed using the agent's entire training experience, and episodic novelty bonuses, computed using only experience from the current episode. However, the use of these two types of bonuses has been ad-hoc and poorly understood. In this work, we shed light on the behavior of these two types of bonuses through controlled experiments on easily interpretable tasks as well as challenging pixel-based settings. We find that the two types of bonuses succeed in different settings, with episodic bonuses being most effective when there is little shared structure across episodes and global bonuses being effective when more structure is shared. We develop a conceptual framework which makes this notion of shared structure precise by considering the variance of the value function across contexts, and which provides a unifying explanation of our empirical results. We furthermore find that combining the two bonuses can lead to more robust performance across different degrees of shared structure, and investigate different algorithmic choices for defining and combining global and episodic bonuses based on function approximation. This results in an algorithm which sets a new state of the art across 16 tasks from the MiniHack suite used in prior work, and also performs robustly on Habitat and Montezuma's Revenge.

Future- or return-conditioned supervised learning is an emerging paradigm for offline reinforcement learning (RL), where the future outcome (i.e., return) associated with an observed action sequence is used as input to a policy trained to imitate those same actions. While return-conditioning is at the heart of popular algorithms such as decision transformer (DT), these methods tend to perform poorly in highly stochastic environments, where an occasional high return can arise from randomness in the environment rather than the actions themselves. Such situations can lead to a learned policy that is inconsistent with its conditioning inputs; i.e., using the policy to act in the environment, when conditioning on a specific desired return, leads to a distribution of real returns that is wildly different than desired. In this work, we propose the dichotomy of control (DoC), a future-conditioned supervised learning framework that separates mechanisms within a policy's control (actions) from those beyond a policy's control (environment stochasticity). We achieve this separation by conditioning the policy on a latent variable representation of the future, and designing a mutual information constraint that removes any information from the latent variable associated with randomness in the environment. Theoretically, we show that DoC yields policies that are consistent with their conditioning inputs, ensuring that conditioning a learned policy on a desired high-return future outcome will correctly induce high-return behavior. Empirically, we show that DoC is able to achieve significantly better performance than DT on environments that have highly stochastic rewards and transition

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

Fair representation learning provides an effective way of enforcing fairness constraints without compromising utility for downstream users. A desirable family of such fairness constraints, each requiring similar treatment for similar individuals, is known as individual fairness. In this work, we introduce the first method that enables data consumers to obtain certificates of individual fairness for existing and new data points. The key idea is to map similar individuals to close latent representations and leverage this latent proximity to certify individual fairness. That is, our method enables the data producer to learn and certify a representation where for a data point all similar individuals are at ell_infty-distance at most epsilon, thus allowing data consumers to certify individual fairness by proving epsilon-robustness of their classifier. Our experimental evaluation on five real-world datasets and several fairness constraints demonstrates the expressivity and scalability of our approach.

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 initial state of neural networks plays a central role in conditioning the subsequent training dynamics. In the context of classification problems, we provide a theoretical analysis demonstrating that the structure of a neural network can condition the model to assign all predictions to the same class, even before the beginning of training, and in the absence of explicit biases. We show that the presence of this phenomenon, which we call "Initial Guessing Bias" (IGB), depends on architectural choices such as activation functions, max-pooling layers, and network depth. Our analysis of IGB has practical consequences, in that it guides architecture selection and initialization. We also highlight theoretical consequences, such as the breakdown of node-permutation symmetry, the violation of self-averaging, the validity of some mean-field approximations, and the non-trivial differences arising with depth.

This paper addresses the problem of formalizing and quantifying the concept of "intensional inheritance" between two concepts. We begin by conceiving the intensional inheritance of W from F as the amount of information the proposition "x is F " provides about the proposition "x is W. To flesh this out, we consider concepts F and W defined by sets of properties left{F_{1}, F_{2}, ldots, F_{n}right} and left{W_{1}, W_{2}, ldots, W_{m}right} with associated degrees left{d_{1}, d_{2}, ldots, d_{n}right} and left{e_{1}, e_{2}, ldots, e_{m}right}, respectively, where the properties may overlap. We then derive formulas for the intensional inheritance using both Shannon information theory and algorithmic information theory, incorporating interaction information among properties. We examine a special case where all properties are mutually exclusive and calculate the intensional inheritance in this case in both frameworks. We also derive expressions for P(W mid F) based on the mutual information formula. Finally we consider the relationship between intensional inheritance and conventional set-theoretic "extensional" inheritance, concluding that in our information-theoretic framework, extensional inheritance emerges as a special case of intensional inheritance.

As AIs rapidly advance and become more agentic, the risk they pose is governed not only by their capabilities but increasingly by their propensities, including goals and values. Tracking the emergence of goals and values has proven a longstanding problem, and despite much interest over the years it remains unclear whether current AIs have meaningful values. We propose a solution to this problem, leveraging the framework of utility functions to study the internal coherence of AI preferences. Surprisingly, we find that independently-sampled preferences in current LLMs exhibit high degrees of structural coherence, and moreover that this emerges with scale. These findings suggest that value systems emerge in LLMs in a meaningful sense, a finding with broad implications. To study these emergent value systems, we propose utility engineering as a research agenda, comprising both the analysis and control of AI utilities. We uncover problematic and often shocking values in LLM assistants despite existing control measures. These include cases where AIs value themselves over humans and are anti-aligned with specific individuals. To constrain these emergent value systems, we propose methods of utility control. As a case study, we show how aligning utilities with a citizen assembly reduces political biases and generalizes to new scenarios. Whether we like it or not, value systems have already emerged in AIs, and much work remains to fully understand and control these emergent representations.

Game-playing agents like AlphaGo have achieved superhuman performance through self-play, which is theoretically guaranteed to yield optimal policies in competitive games. However, most language tasks are partially or fully cooperative, so it is an open question whether techniques like self-play can effectively be used to improve language models. We empirically investigate this question in a negotiation game setting known as Deal or No Deal (DoND). Crucially, the objective in DoND can be modified to produce a fully cooperative game, a strictly competitive one, or anything in between. We finetune language models in self-play over multiple rounds of filtered behavior cloning in DoND for each of these objectives. Contrary to expectations, we find that language model self-play leads to significant performance gains in both cooperation and competition with humans, suggesting that self-play and related techniques have promise despite a lack of theoretical guarantees.

Synthetic data generation with Large Language Models is a promising paradigm for augmenting natural data over a nearly infinite range of tasks. Given this variety, direct comparisons among synthetic data generation algorithms are scarce, making it difficult to understand where improvement comes from and what bottlenecks exist. We propose to evaluate algorithms via the makeup of synthetic data generated by each algorithm in terms of data quality, diversity, and complexity. We choose these three characteristics for their significance in open-ended processes and the impact each has on the capabilities of downstream models. We find quality to be essential for in-distribution model generalization, diversity to be essential for out-of-distribution generalization, and complexity to be beneficial for both. Further, we emphasize the existence of Quality-Diversity trade-offs in training data and the downstream effects on model performance. We then examine the effect of various components in the synthetic data pipeline on each data characteristic. This examination allows us to taxonomize and compare synthetic data generation algorithms through the components they utilize and the resulting effects on data QDC composition. This analysis extends into a discussion on the importance of balancing QDC in synthetic data for efficient reinforcement learning and self-improvement algorithms. Analogous to the QD trade-offs in training data, often there exist trade-offs between model output quality and output diversity which impact the composition of synthetic data. We observe that many models are currently evaluated and optimized only for output quality, thereby limiting output diversity and the potential for self-improvement. We argue that balancing these trade-offs is essential to the development of future self-improvement algorithms and highlight a number of works making progress in this direction.

Human alignment in large language models (LLMs) is an active area of research. A recent groundbreaking work, direct preference optimization (DPO), has greatly simplified the process from past work in reinforcement learning from human feedback (RLHF) by bypassing the reward learning stage in RLHF. DPO, after training, provides an implicit reward model. In this work, we make a novel observation that this implicit reward model can by itself be used in a bootstrapping fashion to further align the LLM. Our approach is to use the rewards from a current LLM model to construct a preference dataset, which is then used in subsequent DPO rounds. We incorporate refinements that debias the length of the responses and improve the quality of the preference dataset to further improve our approach. Our approach, named self-alignment with DPO ImpliCit rEwards (DICE), shows great improvements in alignment and achieves superior performance than Gemini Pro on AlpacaEval 2, reaching 27.55% length-controlled win rate against GPT-4 Turbo, but with only 8B parameters and no external feedback. Our code is available at https://github.com/sail-sg/dice.

Online continual learning (OCL) research has primarily focused on mitigating catastrophic forgetting with fixed and limited storage allocation throughout the agent's lifetime. However, the growing affordability of data storage highlights a broad range of applications that do not adhere to these assumptions. In these cases, the primary concern lies in managing computational expenditures rather than storage. In this paper, we target such settings, investigating the online continual learning problem by relaxing storage constraints and emphasizing fixed, limited economical budget. We provide a simple algorithm that can compactly store and utilize the entirety of the incoming data stream under tiny computational budgets using a kNN classifier and universal pre-trained feature extractors. Our algorithm provides a consistency property attractive to continual learning: It will never forget past seen data. We set a new state of the art on two large-scale OCL datasets: Continual LOCalization (CLOC), which has 39M images over 712 classes, and Continual Google Landmarks V2 (CGLM), which has 580K images over 10,788 classes -- beating methods under far higher computational budgets than ours in terms of both reducing catastrophic forgetting of past data and quickly adapting to rapidly changing data streams. We provide code to reproduce our results at https://github.com/drimpossible/ACM.

Self-supervision may boost model performance in downstream tasks. However, there is no principled way of selecting the self-supervised objectives that yield the most adaptable models. Here, we study this problem on daily time-series data generated from wearable sensors used to detect onset of influenza-like illness (ILI). We first show that using self-supervised learning to predict next-day time-series values allows us to learn rich representations which can be adapted to perform accurate ILI prediction. Second, we perform an empirical analysis of three different self-supervised objectives to assess their adaptability to ILI prediction. Our results show that predicting the next day's resting heart rate or time-in-bed during sleep provides better representations for ILI prediction. These findings add to previous work demonstrating the practical application of self-supervised learning from activity data to improve health predictions.

LLM-as-a-judge models have been used for evaluating both human and AI generated content, specifically by providing scores and rationales. Rationales, in addition to increasing transparency, help models learn to calibrate its judgments. Enhancing a model's rationale can therefore improve its calibration abilities and ultimately the ability to score content. We introduce Self-Rationalization, an iterative process of improving the rationales for the judge models, which consequently improves the score for fine-grained customizable scoring criteria (i.e., likert-scale scoring with arbitrary evaluation criteria). Self-rationalization works by having the model generate multiple judgments with rationales for the same input, curating a preference pair dataset from its own judgements, and iteratively fine-tuning the judge via DPO. Intuitively, this approach allows the judge model to self-improve by learning from its own rationales, leading to better alignment and evaluation accuracy. After just two iterations -- while only relying on examples in the training set -- human evaluation shows that our judge model learns to produce higher quality rationales, with a win rate of 62% on average compared to models just trained via SFT on rationale . This judge model also achieves high scoring accuracy on BigGen Bench and Reward Bench, outperforming even bigger sized models trained using SFT with rationale, self-consistency or best-of-N sampling by 3% to 9%.

Colloids play an important role in fundamental science as well as in nature and technology. They have had a strong impact on the fundamental understanding of statistical physics. For example, colloids have helped to obtain a better understanding of collective phenomena, ranging from phase transitions and glass formation to the swarming of active Brownian particles. Yet the success of colloidal systems hinges crucially on the specific physical and chemical properties of the colloidal particles, i.e. particles with the appropriate characteristics must be available. Here we present an idea to create particles with freely selectable properties. The properties might depend, for example, on the presence of other particles (hence mimicking specific pair or many-body interactions), previous configurations (hence introducing some memory or feedback), or a directional bias (hence changing the dynamics). Without directly interfering with the sample, each particle is fully controlled and can receive external commands through a predefined algorithm that can take into account any input parameters. This is realized with computer-controlled colloids, which we term cybloids - short for cybernetic colloids. The potential of cybloids is illustrated by programming a time-delayed external potential acting on a single colloid and interaction potentials for many colloids. Both an attractive harmonic potential and an annular potential are implemented. For a single particle, this programming can cause subdiffusive behavior or lend activity. For many colloids, the programmed interaction potential allows to select a crystal structure at wish. Beyond these examples, we discuss further opportunities which cybloids offer.

The Weak Gravity Conjecture has recently been re-formulated in terms of a particle with non-negative self-binding energy. Because of the dual conformal field theory (CFT) formulation in the anti-de Sitter space the conformal dimension Delta (Q) of the lowest-dimension operator with charge Q under some global U(1) symmetry must be a convex function of Q. This property has been conjectured to hold for any (unitary) conformal field theory and generalized to larger global symmetry groups. Here we refine and further test the convex charge conjecture via semiclassical computations for fixed charge sectors of different theories in different dimensions. We analyze the convexity properties of the leading and next-to-leading order terms stemming from the semiclassical computation, de facto, extending previous tests beyond the leading perturbative contributions and to arbitrary charges. In particular, the leading contribution is sufficient to test convexity in the semiclassical computations. We also consider intriguing cases in which the models feature a transition from real to complex conformal dimensions either as a function of the charge or number of matter fields. As a relevant example of the first kind, we investigate the O(N) model in 4+epsilon dimensions. As an example of the second type we consider the U(N)times U(M) model in 4-epsilon dimensions. Both models display a rich dynamics where, by changing the number of matter fields and/or charge, one can achieve dramatically different physical regimes. We discover that whenever a complex conformal dimension appears, the real part satisfies the convexity property.

In this paper, it is shown that if a sequence of resistance metric spaces equipped with measures converges with respect to the local Gromov-Hausdorff-vague topology, and certain non-explosion and metric-entropy conditions are satisfied, then the associated stochastic processes and their local times also converge. The metric-entropy condition can be checked by applying volume estimates of balls. Whilst similar results have been proved previously, the approach of this article is more widely applicable. Indeed, we recover various known conclusions for scaling limits of some deterministic self-similar fractal graphs, critical Galton-Watson trees, the critical Erdos-R\'enyi random graph and the configuration model (in the latter two cases, we prove for the first time the convergence of the models with respect to the resistance metric and also, for the configuration model, we overcome an error in the existing proof of local time convergence). Moreover, we derive new ones for scaling limits of uniform spanning trees and random recursive fractals. The metric-entropy condition also implies convergence of associated Gaussian processes.

Preference-based reinforcement learning (PbRL) aligns a robot behavior with human preferences via a reward function learned from binary feedback over agent behaviors. We show that dynamics-aware reward functions improve the sample efficiency of PbRL by an order of magnitude. In our experiments we iterate between: (1) learning a dynamics-aware state-action representation (z^{sa}) via a self-supervised temporal consistency task, and (2) bootstrapping the preference-based reward function from (z^{sa}), which results in faster policy learning and better final policy performance. For example, on quadruped-walk, walker-walk, and cheetah-run, with 50 preference labels we achieve the same performance as existing approaches with 500 preference labels, and we recover 83\% and 66\% of ground truth reward policy performance versus only 38\% and 21\%. The performance gains demonstrate the benefits of explicitly learning a dynamics-aware reward model. Repo: https://github.com/apple/ml-reed.

We propose the Signal Dice Similarity Coefficient (SDSC), a structure-aware metric function for time series self-supervised representation learning. Most Self-Supervised Learning (SSL) methods for signals commonly adopt distance-based objectives such as mean squared error (MSE), which are sensitive to amplitude, invariant to waveform polarity, and unbounded in scale. These properties hinder semantic alignment and reduce interpretability. SDSC addresses this by quantifying structural agreement between temporal signals based on the intersection of signed amplitudes, derived from the Dice Similarity Coefficient (DSC).Although SDSC is defined as a structure-aware metric, it can be used as a loss by subtracting from 1 and applying a differentiable approximation of the Heaviside function for gradient-based optimization. A hybrid loss formulation is also proposed to combine SDSC with MSE, improving stability and preserving amplitude where necessary. Experiments on forecasting and classification benchmarks demonstrate that SDSC-based pre-training achieves comparable or improved performance over MSE, particularly in in-domain and low-resource scenarios. The results suggest that structural fidelity in signal representations enhances the semantic representation quality, supporting the consideration of structure-aware metrics as viable alternatives to conventional distance-based methods.

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

We give a conceptual treatment of the notion of joints, marginals, and independence in the setting of categorical probability. This is achieved by endowing the usual probability monads (like the Giry monad) with a monoidal and an opmonoidal structure, mutually compatible (i.e. a bimonoidal structure). If the underlying monoidal category is cartesian monoidal, a bimonoidal structure is given uniquely by a commutative strength. However, if the underlying monoidal category is not cartesian monoidal, a strength is not enough to guarantee all the desired properties of joints and marginals. A bimonoidal structure is then the correct requirement for the more general case. We explain the theory and the operational interpretation, with the help of the graphical calculus for monoidal categories. We give a definition of stochastic independence based on the bimonoidal structure, compatible with the intuition and with other approaches in the literature for cartesian monoidal categories. We then show as an example that the Kantorovich monad on the category of complete metric spaces is a bimonoidal monad for a non-cartesian monoidal structure.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

It is demonstrated that self-diffusion and shear viscosity data for the TIP4P/Ice water model reported recently [L. Baran, W. Rzysko and L. MacDowell, J. Chem. Phys. {\bf 158}, 064503 (2023)] obey the microscopic version of the Stokes-Einstein relation without the hydrodynamic diameter.

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.

Unitary quantum theory, having no Born Rule, is non-probabilistic. Hence the notorious problem of reconciling it with the unpredictability and appearance of stochasticity in quantum measurements. Generalising and improving upon the so-called 'decision-theoretic approach' (Deutsch, 1999; Wallace, 2003, 2007, 2012), I shall recast that problem in the recently proposed constructor theory of information - where quantum theory is represented as one of a class of superinformation theories, which are local, non-probabilistic theories conforming to certain constructor-theoretic conditions. I prove that the unpredictability of measurement outcomes (to which I give an exact meaning via constructor theory), necessarily arises in superinformation theories. Then I explain how the appearance of stochasticity in (finitely many) repeated measurements can arise under superinformation theories. And I establish sufficient conditions for a superinformation theory to inform decisions (made under it) as if it were probabilistic, via a Deutsch-Wallace-type argument - thus defining a class of decision-supporting superinformation theories. This broadens the domain of applicability of that argument to cover constructor-theory compliant theories. In addition, in this version some of the argument's assumptions, previously construed as merely decision-theoretic, follow from physical properties expressed by constructor-theoretic principles.

We present TraDE, a self-attention-based architecture for auto-regressive density estimation with continuous and discrete valued data. Our model is trained using a penalized maximum likelihood objective, which ensures that samples from the density estimate resemble the training data distribution. The use of self-attention means that the model need not retain conditional sufficient statistics during the auto-regressive process beyond what is needed for each covariate. On standard tabular and image data benchmarks, TraDE produces significantly better density estimates than existing approaches such as normalizing flow estimators and recurrent auto-regressive models. However log-likelihood on held-out data only partially reflects how useful these estimates are in real-world applications. In order to systematically evaluate density estimators, we present a suite of tasks such as regression using generated samples, out-of-distribution detection, and robustness to noise in the training data and demonstrate that TraDE works well in these scenarios.

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.

In this article, we study the consistency of the template estimation with the Fr\'echet mean in quotient spaces. The Fr\'echet mean in quotient spaces is often used when the observations are deformed or transformed by a group action. We show that in most cases this estimator is actually inconsistent. We exhibit a sufficient condition for this inconsistency, which amounts to the folding of the distribution of the noisy template when it is projected to the quotient space. This condition appears to be fulfilled as soon as the support of the noise is large enough. To quantify this inconsistency we provide lower and upper bounds of the bias as a function of the variability (the noise level). This shows that the consistency bias cannot be neglected when the variability increases.

If machine learning models were to achieve superhuman abilities at various reasoning or decision-making tasks, how would we go about evaluating such models, given that humans would necessarily be poor proxies for ground truth? In this paper, we propose a framework for evaluating superhuman models via consistency checks. Our premise is that while the correctness of superhuman decisions may be impossible to evaluate, we can still surface mistakes if the model's decisions fail to satisfy certain logical, human-interpretable rules. We instantiate our framework on three tasks where correctness of decisions is hard to evaluate due to either superhuman model abilities, or to otherwise missing ground truth: evaluating chess positions, forecasting future events, and making legal judgments. We show that regardless of a model's (possibly superhuman) performance on these tasks, we can discover logical inconsistencies in decision making. For example: a chess engine assigning opposing valuations to semantically identical boards; GPT-4 forecasting that sports records will evolve non-monotonically over time; or an AI judge assigning bail to a defendant only after we add a felony to their criminal record.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

Reliable application of machine learning is of primary importance to the practical deployment of deep learning methods. A fundamental challenge is that models are often unreliable due to overconfidence. In this paper, we estimate a model's reliability by measuring the agreement between its latent space, and the latent space of a foundation model. However, it is challenging to measure the agreement between two different latent spaces due to their incoherence, \eg, arbitrary rotations and different dimensionality. To overcome this incoherence issue, we design a neighborhood agreement measure between latent spaces and find that this agreement is surprisingly well-correlated with the reliability of a model's predictions. Further, we show that fusing neighborhood agreement into a model's predictive confidence in a post-hoc way significantly improves its reliability. Theoretical analysis and extensive experiments on failure detection across various datasets verify the effectiveness of our method on both in-distribution and out-of-distribution settings.

Self-supervised skill learning aims to acquire useful behaviors that leverage the underlying dynamics of the environment. Latent variable models, based on mutual information maximization, have been successful in this task but still struggle in the context of robotic manipulation. As it requires impacting a possibly large set of degrees of freedom composing the environment, mutual information maximization fails alone in producing useful and safe manipulation behaviors. Furthermore, tackling this by augmenting skill discovery rewards with additional rewards through a naive combination might fail to produce desired behaviors. To address this limitation, we introduce SLIM, a multi-critic learning approach for skill discovery with a particular focus on robotic manipulation. Our main insight is that utilizing multiple critics in an actor-critic framework to gracefully combine multiple reward functions leads to a significant improvement in latent-variable skill discovery for robotic manipulation while overcoming possible interference occurring among rewards which hinders convergence to useful skills. Furthermore, in the context of tabletop manipulation, we demonstrate the applicability of our novel skill discovery approach to acquire safe and efficient motor primitives in a hierarchical reinforcement learning fashion and leverage them through planning, significantly surpassing baseline approaches for skill discovery.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

Maintaining genetic diversity as a means to avoid premature convergence is critical in Genetic Programming. Several approaches have been proposed to achieve this, with some focusing on the mating phase from coupling dissimilar solutions to some form of self-adaptive selection mechanism. In nature, genetic diversity can be the consequence of many different factors, but when considering reproduction Sexual Selection can have an impact on promoting variety within a species. Specifically, Mate Choice often results in different selective pressures between sexes, which in turn may trigger evolutionary differences among them. Although some mechanisms of Sexual Selection have been applied to Genetic Programming in the past, the literature is scarce when it comes to mate choice. Recently, a way of modelling mating preferences by ideal mate representations was proposed, achieving good results when compared to a standard approach. These mating preferences evolve freely in a self-adaptive fashion, creating an evolutionary driving force of its own alongside fitness pressure. The inner mechanisms of this approach operate from personal choice, as each individual has its own representation of a perfect mate which affects the mate to be selected. In this paper, we compare this method against a random mate choice to assess whether there are advantages in evolving personal preferences. We conducted experiments using three symbolic regression problems and different mutation rates. The results show that self-adaptive mating preferences are able to create a more diverse set of solutions when compared to the traditional approach and a random mate approach (with statistically significant differences) and have a higher success rate in three of the six instances tested.

In lifelong learning, an agent learns throughout its entire life without resets, in a constantly changing environment, as we humans do. Consequently, lifelong learning comes with a plethora of research problems such as continual domain shifts, which result in non-stationary rewards and environment dynamics. These non-stationarities are difficult to detect and cope with due to their continuous nature. Therefore, exploration strategies and learning methods are required that are capable of tracking the steady domain shifts, and adapting to them. We propose Reactive Exploration to track and react to continual domain shifts in lifelong reinforcement learning, and to update the policy correspondingly. To this end, we conduct experiments in order to investigate different exploration strategies. We empirically show that representatives of the policy-gradient family are better suited for lifelong learning, as they adapt more quickly to distribution shifts than Q-learning. Thereby, policy-gradient methods profit the most from Reactive Exploration and show good results in lifelong learning with continual domain shifts. Our code is available at: https://github.com/ml-jku/reactive-exploration.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

We continue the study of the virtual large cardinal hierarchy by analysing virtual versions of superstrong, Woodin, and Berkeley cardinals. Gitman and Schindler showed that virtualizations of strong and supercompact cardinals yield the same large cardinal notion. We provide various equivalent characterizations of virtually Woodin cardinals, including showing that On is virtually Woodin if and only if for every class A, there is a proper class of virtually A-extendible cardinals. We introduce the virtual Vopenka principle for finite languages and show that it is not equivalent to the virtual Vopenka principle (although the two principles are equiconsistent), but is equivalent to the assertion that On is virtually pre-Woodin, a weakening of virtually Woodin, which is equivalent to having for every class A, a weakly virtually A-extendible cardinal. We show that if there are no virtually Berkeley cardinals, then On is virtually Woodin if and only if On is virtually pre-Woodin (if and only if the virtual Vopenka principle for finite languages holds). In particular, if the virtual Vopenka principle holds and On is not Mahlo, then On is not virtually Woodin, and hence there is a virtually Berkeley cardinal.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

We study a class of Z^{d}-substitutive subshifts, including a large family of constant-length substitutions, and homomorphisms between them, i.e., factors modulo isomorphisms of Z^{d}. We prove that any measurable factor map and even any homomorphism associated to a matrix commuting with the expansion matrix, induces a continuous one. We also get strong restrictions on the normalizer group, proving that any endomorphism is invertible, the normalizer group is virtually generated by the shift action and the quotient of the normalizer group by the automorphisms is restricted by the digit tile of the substitution.

In this study, we investigate the DIstribution Correction Estimation (DICE) methods, an important line of work in offline reinforcement learning (RL) and imitation learning (IL). DICE-based methods impose state-action-level behavior constraint, which is an ideal choice for offline learning. However, they typically perform much worse than current state-of-the-art (SOTA) methods that solely use action-level behavior constraint. After revisiting DICE-based methods, we find there exist two gradient terms when learning the value function using true-gradient update: forward gradient (taken on the current state) and backward gradient (taken on the next state). Using forward gradient bears a large similarity to many offline RL methods, and thus can be regarded as applying action-level constraint. However, directly adding the backward gradient may degenerate or cancel out its effect if these two gradients have conflicting directions. To resolve this issue, we propose a simple yet effective modification that projects the backward gradient onto the normal plane of the forward gradient, resulting in an orthogonal-gradient update, a new learning rule for DICE-based methods. We conduct thorough theoretical analyses and find that the projected backward gradient brings state-level behavior regularization, which reveals the mystery of DICE-based methods: the value learning objective does try to impose state-action-level constraint, but needs to be used in a corrected way. Through toy examples and extensive experiments on complex offline RL and IL tasks, we demonstrate that DICE-based methods using orthogonal-gradient updates (O-DICE) achieve SOTA performance and great robustness.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

Conventional wisdom suggests that autoregressive models are used to process discrete data. When applied to continuous modalities such as visual data, Visual AutoRegressive modeling (VAR) typically resorts to quantization-based approaches to cast the data into a discrete space, which can introduce significant information loss. To tackle this issue, we introduce a Continuous VAR framework that enables direct visual autoregressive generation without vector quantization. The underlying theoretical foundation is strictly proper scoring rules, which provide powerful statistical tools capable of evaluating how well a generative model approximates the true distribution. Within this framework, all we need is to select a strictly proper score and set it as the training objective to optimize. We primarily explore a class of training objectives based on the energy score, which is likelihood-free and thus overcomes the difficulty of making probabilistic predictions in the continuous space. Previous efforts on continuous autoregressive generation, such as GIVT and diffusion loss, can also be derived from our framework using other strictly proper scores. Source code: https://github.com/shaochenze/EAR.

Curiosity-based reward schemes can present powerful exploration mechanisms which facilitate the discovery of solutions for complex, sparse or long-horizon tasks. However, as the agent learns to reach previously unexplored spaces and the objective adapts to reward new areas, many behaviours emerge only to disappear due to being overwritten by the constantly shifting objective. We argue that merely using curiosity for fast environment exploration or as a bonus reward for a specific task does not harness the full potential of this technique and misses useful skills. Instead, we propose to shift the focus towards retaining the behaviours which emerge during curiosity-based learning. We posit that these self-discovered behaviours serve as valuable skills in an agent's repertoire to solve related tasks. Our experiments demonstrate the continuous shift in behaviour throughout training and the benefits of a simple policy snapshot method to reuse discovered behaviour for transfer tasks.

We introduce LegoGPT, the first approach for generating physically stable LEGO brick models from text prompts. To achieve this, we construct a large-scale, physically stable dataset of LEGO designs, along with their associated captions, and train an autoregressive large language model to predict the next brick to add via next-token prediction. To improve the stability of the resulting designs, we employ an efficient validity check and physics-aware rollback during autoregressive inference, which prunes infeasible token predictions using physics laws and assembly constraints. Our experiments show that LegoGPT produces stable, diverse, and aesthetically pleasing LEGO designs that align closely with the input text prompts. We also develop a text-based LEGO texturing method to generate colored and textured designs. We show that our designs can be assembled manually by humans and automatically by robotic arms. We also release our new dataset, StableText2Lego, containing over 47,000 LEGO structures of over 28,000 unique 3D objects accompanied by detailed captions, along with our code and models at the project website: https://avalovelace1.github.io/LegoGPT/.

Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are however difficult to characterize. Here, we introduce an unsupervised machine learning approach to determine the minimal set of parameters required to effectively describe the dynamics of a stochastic process. Our method builds upon an extended beta-variational autoencoder architecture. By means of simulated datasets corresponding to paradigmatic diffusion models, we showcase its effectiveness in extracting the minimal relevant parameters that accurately describe these dynamics. Furthermore, the method enables the generation of new trajectories that faithfully replicate the expected stochastic behavior. Overall, our approach enables for the autonomous discovery of unknown parameters describing stochastic processes, hence enhancing our comprehension of complex phenomena across various fields.

Both online and offline RLHF methods such as PPO and DPO have been extremely successful in aligning AI with human preferences. Despite their success, the existing methods suffer from a fundamental problem that their optimal solution is highly task-dependent (i.e., not robust to out-of-distribution (OOD) tasks). Here we address this challenge by proposing Self-Improving Robust Preference Optimization SRPO, a practical and mathematically principled offline RLHF framework that is completely robust to the changes in the task. The key idea of SRPO is to cast the problem of learning from human preferences as a self-improvement process, which can be mathematically expressed in terms of a min-max objective that aims at joint optimization of self-improvement policy and the generative policy in an adversarial fashion. The solution for this optimization problem is independent of the training task and thus it is robust to its changes. We then show that this objective can be re-expressed in the form of a non-adversarial offline loss which can be optimized using standard supervised optimization techniques at scale without any need for reward model and online inference. We show the effectiveness of SRPO in terms of AI Win-Rate (WR) against human (GOLD) completions. In particular, when SRPO is evaluated on the OOD XSUM dataset, it outperforms the celebrated DPO by a clear margin of 15% after 5 self-revisions, achieving WR of 90%.

Existing alignment methods share a common topology of information flow, where reward information is collected from humans, modeled with preference learning, and used to tune language models. However, this shared topology has not been systematically characterized, nor have its alternatives been thoroughly explored, leaving the problems of low data efficiency and unreliable generalization unaddressed. As a solution, we introduce a theoretical framework for investigating reward generalization in reinforcement learning from human feedback (RLHF), focusing on the topology of information flow at both macro and micro levels. At the macro level, we portray the RLHF information flow as an autoencoding process over behavior distributions, formalizing the RLHF objective of distributional consistency between human preference and model behavior. At the micro level, we present induced Bayesian networks as a theory of reward generalization in RLHF, introducing fine-grained dataset topologies into generalization bounds. Combining analysis on both levels, we propose reward modeling from tree-structured preference information. It is shown to reduce reward uncertainty by up to Theta(log n/loglog n) times compared to baselines, where n is the dataset size. Validation on three NLP tasks shows that our tree-based reward model achieves an average win rate of 65% against baseline methods, thus improving reward generalization for free via topology design.

OpenAI's Sora highlights the potential of video generation for developing world models that adhere to fundamental physical laws. However, the ability of video generation models to discover such laws purely from visual data without human priors can be questioned. A world model learning the true law should give predictions robust to nuances and correctly extrapolate on unseen scenarios. In this work, we evaluate across three key scenarios: in-distribution, out-of-distribution, and combinatorial generalization. We developed a 2D simulation testbed for object movement and collisions to generate videos deterministically governed by one or more classical mechanics laws. This provides an unlimited supply of data for large-scale experimentation and enables quantitative evaluation of whether the generated videos adhere to physical laws. We trained diffusion-based video generation models to predict object movements based on initial frames. Our scaling experiments show perfect generalization within the distribution, measurable scaling behavior for combinatorial generalization, but failure in out-of-distribution scenarios. Further experiments reveal two key insights about the generalization mechanisms of these models: (1) the models fail to abstract general physical rules and instead exhibit "case-based" generalization behavior, i.e., mimicking the closest training example; (2) when generalizing to new cases, models are observed to prioritize different factors when referencing training data: color > size > velocity > shape. Our study suggests that scaling alone is insufficient for video generation models to uncover fundamental physical laws, despite its role in Sora's broader success. See our project page at https://phyworld.github.io

Aligning with human preference datasets has been critical to the success of large language models (LLMs). Reinforcement learning from human feedback (RLHF) employs a costly reward model to provide feedback for on-policy sampling responses. Recently, offline methods that directly fit responses with binary preferences in the dataset have emerged as alternatives. However, existing methods do not explicitly model preference strength information, which is crucial for distinguishing different response pairs. To overcome this limitation, we propose Online Self-Preferring (OSP) language models to learn from self-generated response pairs and self-judged preference strengths. For each prompt and corresponding self-generated responses, we introduce a ranked pairing method to construct multiple response pairs with preference strength information. We then propose the soft-preference cross-entropy loss to leverage such information. Empirically, we demonstrate that leveraging preference strength is crucial for avoiding overfitting and enhancing alignment performance. OSP achieves state-of-the-art alignment performance across various metrics in two widely used human preference datasets. OSP is parameter-efficient and more robust than the dominant online method, RLHF when limited offline data are available and generalizing to out-of-domain tasks. Moreover, OSP language models established by LLMs with proficiency in self-preferring can efficiently self-improve without external supervision.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

When robots learn reward functions using high capacity models that take raw state directly as input, they need to both learn a representation for what matters in the task -- the task ``features" -- as well as how to combine these features into a single objective. If they try to do both at once from input designed to teach the full reward function, it is easy to end up with a representation that contains spurious correlations in the data, which fails to generalize to new settings. Instead, our ultimate goal is to enable robots to identify and isolate the causal features that people actually care about and use when they represent states and behavior. Our idea is that we can tune into this representation by asking users what behaviors they consider similar: behaviors will be similar if the features that matter are similar, even if low-level behavior is different; conversely, behaviors will be different if even one of the features that matter differs. This, in turn, is what enables the robot to disambiguate between what needs to go into the representation versus what is spurious, as well as what aspects of behavior can be compressed together versus not. The notion of learning representations based on similarity has a nice parallel in contrastive learning, a self-supervised representation learning technique that maps visually similar data points to similar embeddings, where similarity is defined by a designer through data augmentation heuristics. By contrast, in order to learn the representations that people use, so we can learn their preferences and objectives, we use their definition of similarity. In simulation as well as in a user study, we show that learning through such similarity queries leads to representations that, while far from perfect, are indeed more generalizable than self-supervised and task-input alternatives.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

Reward functions are central in reinforcement learning (RL), guiding agents towards optimal decision-making. The complexity of RL tasks requires meticulously designed reward functions that effectively drive learning while avoiding unintended consequences. Effective reward design aims to provide signals that accelerate the agent's convergence to optimal behavior. Crafting rewards that align with task objectives, foster desired behaviors, and prevent undesirable actions is inherently challenging. This thesis delves into the critical role of reward signals in RL, highlighting their impact on the agent's behavior and learning dynamics and addressing challenges such as delayed, ambiguous, or intricate rewards. In this thesis work, we tackle different aspects of reward shaping. First, we address the problem of designing informative and interpretable reward signals from a teacher's/expert's perspective (teacher-driven). Here, the expert, equipped with the optimal policy and the corresponding value function, designs reward signals that expedite the agent's convergence to optimal behavior. Second, we build on this teacher-driven approach by introducing a novel method for adaptive interpretable reward design. In this scenario, the expert tailors the rewards based on the learner's current policy, ensuring alignment and optimal progression. Third, we propose a meta-learning approach, enabling the agent to self-design its reward signals online without expert input (agent-driven). This self-driven method considers the agent's learning and exploration to establish a self-improving feedback loop.

Iterative preference optimization has recently become one of the de-facto training paradigms for large language models (LLMs), but the performance is still underwhelming due to too much noisy preference data yielded in the loop. To combat this issue, we present an Uncertainty-enhanced Preference Optimization (UPO) framework to make the LLM self-evolve with reliable feedback. The key idea is mitigating the noisy preference data derived from the current policy and reward models by performing pair-wise uncertainty estimation and judiciously reliable feedback sampling. To reach this goal, we thus introduce an estimator model, which incorporates Monte Carlo (MC) dropout in Bayesian neural network (BNN) to perform uncertainty estimation for the preference data derived from the LLM policy. Compared to the existing methods that directly filter generated responses based on the reward score, the estimator focuses on the model uncertainty in a pair-wise manner and effectively bypasses the confirmation bias problem of the reward model. Additionally, we also propose an uncertainty-enhanced self-evolution algorithm to improve the robustness of preference optimization and encourage the LLM to generate responses with both high reward and certainty. Extensive experiments over multiple benchmarks demonstrate that our framework substantially alleviates the noisy problem and improves the performance of iterative preference optimization.

Despite the recent success of reinforcement learning in various domains, these approaches remain, for the most part, deterringly sensitive to hyper-parameters and are often riddled with essential engineering feats allowing their success. We consider the case of off-policy generative adversarial imitation learning, and perform an in-depth review, qualitative and quantitative, of the method. We show that forcing the learned reward function to be local Lipschitz-continuous is a sine qua non condition for the method to perform well. We then study the effects of this necessary condition and provide several theoretical results involving the local Lipschitzness of the state-value function. We complement these guarantees with empirical evidence attesting to the strong positive effect that the consistent satisfaction of the Lipschitzness constraint on the reward has on imitation performance. Finally, we tackle a generic pessimistic reward preconditioning add-on spawning a large class of reward shaping methods, which makes the base method it is plugged into provably more robust, as shown in several additional theoretical guarantees. We then discuss these through a fine-grained lens and share our insights. Crucially, the guarantees derived and reported in this work are valid for any reward satisfying the Lipschitzness condition, nothing is specific to imitation. As such, these may be of independent interest.

Recent advances in reinforcement learning have shown that language models can develop sophisticated reasoning through training on tasks with verifiable rewards, but these approaches depend on human-curated problem-answer pairs and domain-specific reward engineering. We introduce SPIRAL, a self-play framework where models learn by playing multi-turn, zero-sum games against continuously improving versions of themselves, eliminating the need for human supervision. Through self-play, SPIRAL generates an infinite curriculum of progressively challenging problems as models must constantly adapt to stronger opponents. To enable this self-play training at scale, We implement a fully online, multi-turn, multi-agent reinforcement learning system for LLMs and propose role-conditioned advantage estimation (RAE) to stabilize multi-agent training. Using SPIRAL, self-play on zero-sum games produces reasoning capabilities that transfer broadly. Training Qwen3-4B-Base on Kuhn Poker alone achieves 8.6% improvement on math and 8.4% on general reasoning, outperforming SFT on 25,000 expert game trajectories. Analysis reveals that this transfer occurs through three cognitive patterns: systematic decomposition, expected value calculation, and case-by-case analysis. Multi-game training (TicTacToe, Kuhn Poker, Simple Negotiation) further enhances performance as each game develops distinct reasoning strengths. Applying SPIRAL to a strong reasoning model (DeepSeek-R1-Distill-Qwen-7B) can still lead to 2.0% average improvement. These results demonstrate that zero-sum games naturally develop transferable reasoning capabilities, highlighting a promising direction for autonomous reasoning development.

Neo-Darwinian evolutionary theory explains how the appearance of purposive design in the sophisticated adaptations of living organisms can have come about without their intentionally being designed. The explanation relies crucially on the possibility of certain physical processes: mainly, gene replication and natural selection. In this paper I show that for those processes to be possible without the design of biological adaptations being encoded in the laws of physics, those laws must have certain other properties. The theory of what these properties are is not part of evolution theory proper, and has not been developed, yet without it the neo-Darwinian theory does not fully achieve its purpose of explaining the appearance of design. To this end I apply Constructor Theory's new mode of explanation to provide an exact formulation of the appearance of design, of no-design laws, and of the logic of self-reproduction and natural selection, within fundamental physics. I conclude that self-reproduction, replication and natural selection are possible under no-design laws, the only non-trivial condition being that they allow digital information to be physically instantiated. This has an exact characterisation in the constructor theory of information. I also show that under no-design laws an accurate replicator requires the existence of a "vehicle" constituting, together with the replicator, a self-reproducer.

In geometrically frustrated assemblies local inter-subunit misfits propagate to intra-assembly strain gradients, giving rise to anomalous self-limiting assembly thermodynamics. Here, we use theory and coarse-grained simulation to study a recently developed class of ``curvamer'' particles, flexible shell-like particles that exhibit self-limiting assembly due to the build up of curvature deformation in cohesive stacks. To address a generic, yet poorly understood aspect of frustrated assembly, we introduce a model of curvamer assembly that incorporates both {\it intra-particle} shape deformation as well as compliance of {\it inter-particle} cohesive gaps, an effect we can attribute to a {\it finite range of attraction} between particles. We show that the ratio of intra-particle (bending elasticity) to inter-particle stiffness not only controls the regimes of self-limitation but also the nature of frustration propagation through curvamer stacks. We find a transition from uniformly-bound, curvature-focusing stacks at small size to gap-opened, uniformly curved stacks at large size is controlled by a dimensionless measure of inter- versus intra-curvamer stiffness. The finite range of inter-particle attraction determines range of cohesion in stacks are self-limiting, a prediction which is in strong agreement with numerical studies of our coarse-grained colloidal model. These predictions provide critical guidance for experimental realizations of frustrated particle systems designed to exhibit self-limitation at especially large multi-particle scales.

We present metrics for measuring state similarity in Markov decision processes (MDPs) with infinitely many states, including MDPs with continuous state spaces. Such metrics provide a stable quantitative analogue of the notion of bisimulation for MDPs, and are suitable for use in MDP approximation. We show that the optimal value function associated with a discounted infinite horizon planning task varies continuously with respect to our metric distances.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.

Diffusion Models (DM) and Consistency Models (CM) are two types of popular generative models with good generation quality on various tasks. When training DM and CM, intermediate weight checkpoints are not fully utilized and only the last converged checkpoint is used. In this work, we find that high-quality model weights often lie in a basin which cannot be reached by SGD but can be obtained by proper checkpoint averaging. Based on these observations, we propose LCSC, a simple but effective and efficient method to enhance the performance of DM and CM, by combining checkpoints along the training trajectory with coefficients deduced from evolutionary search. We demonstrate the value of LCSC through two use cases: (a) Reducing training cost. With LCSC, we only need to train DM/CM with fewer number of iterations and/or lower batch sizes to obtain comparable sample quality with the fully trained model. For example, LCSC achieves considerable training speedups for CM (23times on CIFAR-10 and 15times on ImageNet-64). (b) Enhancing pre-trained models. Assuming full training is already done, LCSC can further improve the generation quality or speed of the final converged models. For example, LCSC achieves better performance using 1 number of function evaluation (NFE) than the base model with 2 NFE on consistency distillation, and decreases the NFE of DM from 15 to 9 while maintaining the generation quality on CIFAR-10. Our code is available at https://github.com/imagination-research/LCSC.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

There is an emerging interest in generating robust counterfactual explanations that would remain valid if the model is updated or changed even slightly. Towards finding robust counterfactuals, existing literature often assumes that the original model m and the new model M are bounded in the parameter space, i.e., |Params(M){-}Params(m)|{<}Delta. However, models can often change significantly in the parameter space with little to no change in their predictions or accuracy on the given dataset. In this work, we introduce a mathematical abstraction termed naturally-occurring model change, which allows for arbitrary changes in the parameter space such that the change in predictions on points that lie on the data manifold is limited. Next, we propose a measure -- that we call Stability -- to quantify the robustness of counterfactuals to potential model changes for differentiable models, e.g., neural networks. Our main contribution is to show that counterfactuals with sufficiently high value of Stability as defined by our measure will remain valid after potential ``naturally-occurring'' model changes with high probability (leveraging concentration bounds for Lipschitz function of independent Gaussians). Since our quantification depends on the local Lipschitz constant around a data point which is not always available, we also examine practical relaxations of our proposed measure and demonstrate experimentally how they can be incorporated to find robust counterfactuals for neural networks that are close, realistic, and remain valid after potential model changes.

This paper is the second in the series Commutative Scaling of Width and Depth (WD) about commutativity of infinite width and depth limits in deep neural networks. Our aim is to understand the behaviour of neural functions (functions that depend on a neural network model) as width and depth go to infinity (in some sense), and eventually identify settings under which commutativity holds, i.e. the neural function tends to the same limit no matter how width and depth limits are taken. In this paper, we formally introduce and define the commutativity framework, and discuss its implications on neural network design and scaling. We study commutativity for the neural covariance kernel which reflects how network layers separate data. Our findings extend previous results established in [55] by showing that taking the width and depth to infinity in a deep neural network with skip connections, when branches are suitably scaled to avoid exploding behaviour, result in the same covariance structure no matter how that limit is taken. This has a number of theoretical and practical implications that we discuss in the paper. The proof techniques in this paper are novel and rely on tools that are more accessible to readers who are not familiar with stochastic calculus (used in the proofs of WD(I))).

Recent advances in large language models (LLMs) have demonstrated significant progress in performing complex tasks. While Reinforcement Learning from Human Feedback (RLHF) has been effective in aligning LLMs with human preferences, it is susceptible to spurious correlations in reward modeling. Consequently, it often introduces biases-such as length bias, sycophancy, conceptual bias, and discrimination that hinder the model's ability to capture true causal relationships. To address this, we propose a novel causal reward modeling approach that integrates causal inference to mitigate these spurious correlations. Our method enforces counterfactual invariance, ensuring reward predictions remain consistent when irrelevant variables are altered. Through experiments on both synthetic and real-world datasets, we show that our approach mitigates various types of spurious correlations effectively, resulting in more reliable and fair alignment of LLMs with human preferences. As a drop-in enhancement to the existing RLHF workflow, our causal reward modeling provides a practical way to improve the trustworthiness and fairness of LLM finetuning.

The mechanisms behind the success of multi-view self-supervised learning (MVSSL) are not yet fully understood. Contrastive MVSSL methods have been studied through the lens of InfoNCE, a lower bound of the Mutual Information (MI). However, the relation between other MVSSL methods and MI remains unclear. We consider a different lower bound on the MI consisting of an entropy and a reconstruction term (ER), and analyze the main MVSSL families through its lens. Through this ER bound, we show that clustering-based methods such as DeepCluster and SwAV maximize the MI. We also re-interpret the mechanisms of distillation-based approaches such as BYOL and DINO, showing that they explicitly maximize the reconstruction term and implicitly encourage a stable entropy, and we confirm this empirically. We show that replacing the objectives of common MVSSL methods with this ER bound achieves competitive performance, while making them stable when training with smaller batch sizes or smaller exponential moving average (EMA) coefficients. Github repo: https://github.com/apple/ml-entropy-reconstruction.

This paper explores the effects of various forms of regularization in the context of language model alignment via self-play. While both reinforcement learning from human feedback (RLHF) and direct preference optimization (DPO) require to collect costly human-annotated pairwise preferences, the self-play fine-tuning (SPIN) approach replaces the rejected answers by data generated from the previous iterate. However, the SPIN method presents a performance instability issue in the learning phase, which can be mitigated by playing against a mixture of the two previous iterates. In the same vein, we propose in this work to address this issue from two perspectives: first, by incorporating an additional Kullback-Leibler (KL) regularization to stay at the proximity of the reference policy; second, by using the idea of fictitious play which smoothens the opponent policy across all previous iterations. In particular, we show that the KL-based regularizer boils down to replacing the previous policy by its geometric mixture with the base policy inside of the SPIN loss function. We finally discuss empirical results on MT-Bench as well as on the Hugging Face Open LLM Leaderboard.