Daily Papers

We prove non-uniqueness for the advection-diffusion equation with a drift in a logarithmically near-critical class below L_t^2L_x^infty. The first construction is a diffusion-assisted inverse cascade of scalar energy that diverges as t to 0. The second uses compressed inverse mixing, with diffusion acting perturbatively, and produces a bounded parabolic solution with the energy jump at the initial time. In both constructions the drift and scalar are smooth for positive time. We also consider the drift in L^{2,infty}_tL^infty_x and solutions satisfying the energy inequality starting from almost every time. In this setting, we prove uniqueness of solutions with bounded energy, and construct non-unique solution with energy blowing up as time goes to zero.

This paper studies the scale and redshift variation of density and velocity distributions in self-gravitating collisionless dark matter flow by a halo-based non-projection approach. All particles are divided into halo and out-of-halo particles for redshift variation of distributions. Without projecting particle fields onto a structured grid, the scale variation is analyzed by identifying all particle pairs on different scales r. We demonstrate that: i) Delaunay tessellation can be used to reconstruct the density field. The density correlation, spectrum, and dispersion functions were obtained, modeled, and compared with the N-body simulation; ii) the velocity distributions are symmetric on both small and large scales and are non-symmetric with a negative skewness on intermediate scales due to the inverse energy cascade at a constant rate varepsilon_u; iii) On small scales, the even order moments of pairwise velocity Delta u_L follow a two-thirds law (-varepsilon_ur)^{2/3}, while the odd order moments follow a linear scaling langle(Delta u_L)^{2n+1}rangle=(2n+1)langle(Delta u_L)^{2n}ranglelangleDelta u_Lrangler; iv) The scale variation of the velocity distributions was studied for longitudinal velocities u_L or u_L^{'}, pairwise velocity (velocity difference) Delta u_L=u_L^{'}-u_L and velocity sum Sigma u_L=u^{'}_L+u_L. Fully developed velocity fields are never Gaussian on any scale, despite that they can initially be Gaussian; v) On small scales, u_L and Sigma u_L can be modeled by a X distribution to maximize the system entropy; vi) On large scales, Delta u_L and Sigma u_L can be modeled by a logistic or a X distribution; vii) the redshift variation of the velocity distributions follows the evolution of the X distribution involving a shape parameter alpha(z) decreasing with time.

We propose a lightweight end-to-end text-to-speech model using multi-band generation and inverse short-time Fourier transform. Our model is based on VITS, a high-quality end-to-end text-to-speech model, but adopts two changes for more efficient inference: 1) the most computationally expensive component is partially replaced with a simple inverse short-time Fourier transform, and 2) multi-band generation, with fixed or trainable synthesis filters, is used to generate waveforms. Unlike conventional lightweight models, which employ optimization or knowledge distillation separately to train two cascaded components, our method enjoys the full benefits of end-to-end optimization. Experimental results show that our model synthesized speech as natural as that synthesized by VITS, while achieving a real-time factor of 0.066 on an Intel Core i7 CPU, 4.1 times faster than VITS. Moreover, a smaller version of the model significantly outperformed a lightweight baseline model with respect to both naturalness and inference speed. Code and audio samples are available from https://github.com/MasayaKawamura/MB-iSTFT-VITS.

Implicit neural representations (INR) suffer from worsening spectral bias, which results in overly smooth solutions to the inverse problem. To deal with this problem, we propose a universal framework for processing inverse problems called High-Order Implicit Neural Representations (HOIN). By refining the traditional cascade structure to foster high-order interactions among features, HOIN enhances the model's expressive power and mitigates spectral bias through its neural tangent kernel's (NTK) strong diagonal properties, accelerating and optimizing inverse problem resolution. By analyzing the model's expression space, high-order derivatives, and the NTK matrix, we theoretically validate the feasibility of HOIN. HOIN realizes 1 to 3 dB improvements in most inverse problems, establishing a new state-of-the-art recovery quality and training efficiency, thus providing a new general paradigm for INR and paving the way for it to solve the inverse problem.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

We demonstrate a compact, cost-effective snapshot spectral imaging system named Aperture Diffraction Imaging Spectrometer (ADIS), which consists only of an imaging lens with an ultra-thin orthogonal aperture mask and a mosaic filter sensor, requiring no additional physical footprint compared to common RGB cameras. Then we introduce a new optical design that each point in the object space is multiplexed to discrete encoding locations on the mosaic filter sensor by diffraction-based spatial-spectral projection engineering generated from the orthogonal mask. The orthogonal projection is uniformly accepted to obtain a weakly calibration-dependent data form to enhance modulation robustness. Meanwhile, the Cascade Shift-Shuffle Spectral Transformer (CSST) with strong perception of the diffraction degeneration is designed to solve a sparsity-constrained inverse problem, realizing the volume reconstruction from 2D measurements with Large amount of aliasing. Our system is evaluated by elaborating the imaging optical theory and reconstruction algorithm with demonstrating the experimental imaging under a single exposure. Ultimately, we achieve the sub-super-pixel spatial resolution and high spectral resolution imaging. The code will be available at: https://github.com/Krito-ex/CSST.

Inverse design refers to the problem of optimizing the input of an objective function in order to enact a target outcome. For many real-world engineering problems, the objective function takes the form of a simulator that predicts how the system state will evolve over time, and the design challenge is to optimize the initial conditions that lead to a target outcome. Recent developments in learned simulation have shown that graph neural networks (GNNs) can be used for accurate, efficient, differentiable estimation of simulator dynamics, and support high-quality design optimization with gradient- or sampling-based optimization procedures. However, optimizing designs from scratch requires many expensive model queries, and these procedures exhibit basic failures on either non-convex or high-dimensional problems.In this work, we show how denoising diffusion models (DDMs) can be used to solve inverse design problems efficiently and propose a particle sampling algorithm for further improving their efficiency. We perform experiments on a number of fluid dynamics design challenges, and find that our approach substantially reduces the number of calls to the simulator compared to standard techniques.

In this paper, we study the flow of signals through linear paths with the nonlinear condition that a node emits a signal when it receives external stimuli or when two incoming signals from other nodes arrive coincidentally with a combined amplitude above a fixed threshold. Sets of such nodes form a polychrony group and can sometimes lead to cascades. In the context of this work, cascades are polychrony groups in which the number of nodes activated as a consequence of other nodes is greater than the number of externally activated nodes. The difference between these two numbers is the so-called profit. Given the initial conditions, we predict the conditions for a vertex to activate at a prescribed time and provide an algorithm to efficiently reconstruct a cascade. We develop a dictionary between polychrony groups and graph theory. We call the graph corresponding to a cascade a chinampa. This link leads to a topological classification of chinampas. We enumerate the chinampas of profits zero and one and the description of a family of chinampas isomorphic to a family of partially ordered sets, which implies that the enumeration problem of this family is equivalent to computing the Stanley-order polynomials of those partially ordered sets.

Inverse Reinforcement Learning (IRL) is a powerful set of techniques for imitation learning that aims to learn a reward function that rationalizes expert demonstrations. Unfortunately, traditional IRL methods suffer from a computational weakness: they require repeatedly solving a hard reinforcement learning (RL) problem as a subroutine. This is counter-intuitive from the viewpoint of reductions: we have reduced the easier problem of imitation learning to repeatedly solving the harder problem of RL. Another thread of work has proved that access to the side-information of the distribution of states where a strong policy spends time can dramatically reduce the sample and computational complexities of solving an RL problem. In this work, we demonstrate for the first time a more informed imitation learning reduction where we utilize the state distribution of the expert to alleviate the global exploration component of the RL subroutine, providing an exponential speedup in theory. In practice, we find that we are able to significantly speed up the prior art on continuous control tasks.

Inverse reinforcement learning (IRL) is typically formulated as maximizing entropy subject to matching the distribution of expert trajectories. Classical (dual-ascent) IRL guarantees monotonic performance improvement but requires fully solving an RL problem each iteration to compute dual gradients. More recent adversarial methods avoid this cost at the expense of stability and monotonic dual improvement, by directly optimizing the primal problem and using a discriminator to provide rewards. In this work, we bridge the gap between these approaches by enabling monotonic improvement of the reward function and policy without having to fully solve an RL problem at every iteration. Our key theoretical insight is that a trust-region-optimal policy for a reward function update can be globally optimal for a smaller update in the same direction. This smaller update allows us to explicitly optimize the dual objective while only relying on a local search around the current policy. In doing so, our approach avoids the training instabilities of adversarial methods, offers monotonic performance improvement, and learns a reward function in the traditional sense of IRL--one that can be globally optimized to match expert demonstrations. Our proposed algorithm, Trust Region Inverse Reinforcement Learning (TRIRL), outperforms state-of-the-art imitation learning methods across multiple challenging tasks by a factor of 2.4x in terms of aggregate inter-quartile mean, while recovering reward functions that generalize to system dynamics shifts.

Diffusion Language Models (DLMs) have recently achieved strong results in text generation. However, their multi-step sampling leads to slow inference, limiting practical use. To address this, we extend Inverse Distillation, a technique originally developed to accelerate continuous diffusion models, to the discrete setting. Nonetheless, this extension introduces both theoretical and practical challenges. From a theoretical perspective, the inverse distillation objective lacks uniqueness guarantees, which may lead to suboptimal solutions. From a practical standpoint, backpropagation in the discrete space is non-trivial and often unstable. To overcome these challenges, we first provide a theoretical result demonstrating that our inverse formulation admits a unique solution, thereby ensuring valid optimization. We then introduce gradient-stable relaxations to support effective training. As a result, experiments on multiple DLMs show that our method, Inverse-distilled Diffusion Language Models (IDLM), reduces the number of inference steps by 4x-64x, while preserving the teacher model's entropy and generative perplexity.

Inverse reinforcement learning (IRL) denotes a powerful family of algorithms for recovering a reward function justifying the behavior demonstrated by an expert agent. A well-known limitation of IRL is the ambiguity in the choice of the reward function, due to the existence of multiple rewards that explain the observed behavior. This limitation has been recently circumvented by formulating IRL as the problem of estimating the feasible reward set, i.e., the region of the rewards compatible with the expert's behavior. In this paper, we make a step towards closing the theory gap of IRL in the case of finite-horizon problems with a generative model. We start by formally introducing the problem of estimating the feasible reward set, the corresponding PAC requirement, and discussing the properties of particular classes of rewards. Then, we provide the first minimax lower bound on the sample complexity for the problem of estimating the feasible reward set of order {Omega}Bigl( H^3SA{epsilon^2} bigl( log bigl(1{delta}bigl) + S bigl)Bigl), being S and A the number of states and actions respectively, H the horizon, epsilon the desired accuracy, and delta the confidence. We analyze the sample complexity of a uniform sampling strategy (US-IRL), proving a matching upper bound up to logarithmic factors. Finally, we outline several open questions in IRL and propose future research directions.

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates samples by inverting it. Typical NF forward transformations are constrained by explicit invertibility, ensuring that the reverse process can serve as their exact analytic inverse. Recent developments in TARFlow and its variants have revitalized NF methods by combining Transformers and autoregressive flows, but have also exposed causal decoding as a major bottleneck. In this work, we introduce Bidirectional Normalizing Flow (BiFlow), a framework that removes the need for an exact analytic inverse. BiFlow learns a reverse model that approximates the underlying noise-to-data inverse mapping, enabling more flexible loss functions and architectures. Experiments on ImageNet demonstrate that BiFlow, compared to its causal decoding counterpart, improves generation quality while accelerating sampling by up to two orders of magnitude. BiFlow yields state-of-the-art results among NF-based methods and competitive performance among single-evaluation ("1-NFE") methods. Following recent encouraging progress on NFs, we hope our work will draw further attention to this classical paradigm.

Inverse of an invertible convolution is an important operation that comes up in Normalizing Flows, Image Deblurring, etc. The naive algorithm for backpropagation of this operation using Gaussian elimination has running time O(n^3) where n is the number of pixels in the image. We give a fast parallel backpropagation algorithm with running time O(n) for a square image and provide a GPU implementation of the same. Inverse Convolutions are usually used in Normalizing Flows in the sampling pass, making them slow. We propose to use Inverse Convolutions in the forward (image to latent vector) pass of the Normalizing flow. Since the sampling pass is the inverse of the forward pass, it will use convolutions only, resulting in efficient sampling times. We use our parallel backpropagation algorithm for optimizing the inverse convolution layer resulting in fast training times also. We implement this approach in various Normalizing Flow backbones, resulting in our Inverse-Flow models. We benchmark Inverse-Flow on standard datasets and show significantly improved sampling times with similar bits per dimension compared to previous models.

Procedural Content Generation (PCG) is powerful in creating high-quality 3D contents, yet controlling it to produce desired shapes is difficult and often requires extensive parameter tuning. Inverse Procedural Content Generation aims to automatically find the best parameters under the input condition. However, existing sampling-based and neural network-based methods still suffer from numerous sample iterations or limited controllability. In this work, we present DI-PCG, a novel and efficient method for Inverse PCG from general image conditions. At its core is a lightweight diffusion transformer model, where PCG parameters are directly treated as the denoising target and the observed images as conditions to control parameter generation. DI-PCG is efficient and effective. With only 7.6M network parameters and 30 GPU hours to train, it demonstrates superior performance in recovering parameters accurately, and generalizing well to in-the-wild images. Quantitative and qualitative experiment results validate the effectiveness of DI-PCG in inverse PCG and image-to-3D generation tasks. DI-PCG offers a promising approach for efficient inverse PCG and represents a valuable exploration step towards a 3D generation path that models how to construct a 3D asset using parametric models.

A prevalent assumption in LLM agent deployment holds that more structured harnesses universally improve reliability, and that higher-capability models need proportionally less structural guidance -- together implying a monotone inverse relationship between model capability tier and optimal harness complexity. We test this hypothesis through a controlled 432-run experiment crossing six models across four capability tiers with three harness conditions (light, balanced, strict) on HEAT-24, a 24-task synthetic benchmark with git-based workspace verification. Our results refute the monotone inverse relationship on two fronts. First, for the frontier chat model evaluated (Gemini 2.5 Flash), increased harness verbosity lowers VTSR by 29-38 percentage points -- a harness-complexity paradox. Second, for the frontier reasoning model evaluated (Qwen3.5-122B, extended thinking enabled), strict harness achieves the highest VTSR (91.7%) and the lowest latency, the opposite of the prediction. Within the constrained tier, a 2B model (Gemma4:e2B) matches strong-open-tier stability at 91.7% across all harnesses. Because each tier is represented by a single model in this study, these results should be interpreted as model-specific observations; harness sensitivity appears non-monotone across the models evaluated, and depends critically on model type (chat vs. reasoning). We introduce a six-label failure taxonomy showing that format_violation dominates capable-model failures while wrong_file dominates low-capability failures, and we derive practical tier-aware harness selection guidelines.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

It is widely believed that the success of deep convolutional networks is based on progressively discarding uninformative variability about the input with respect to the problem at hand. This is supported empirically by the difficulty of recovering images from their hidden representations, in most commonly used network architectures. In this paper we show via a one-to-one mapping that this loss of information is not a necessary condition to learn representations that generalize well on complicated problems, such as ImageNet. Via a cascade of homeomorphic layers, we build the i-RevNet, a network that can be fully inverted up to the final projection onto the classes, i.e. no information is discarded. Building an invertible architecture is difficult, for one, because the local inversion is ill-conditioned, we overcome this by providing an explicit inverse. An analysis of i-RevNets learned representations suggests an alternative explanation for the success of deep networks by a progressive contraction and linear separation with depth. To shed light on the nature of the model learned by the i-RevNet we reconstruct linear interpolations between natural image representations.

The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.

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

Reward functions are difficult to design and often hard to align with human intent. Preference-based Reinforcement Learning (RL) algorithms address these problems by learning reward functions from human feedback. However, the majority of preference-based RL methods na\"ively combine supervised reward models with off-the-shelf RL algorithms. Contemporary approaches have sought to improve performance and query complexity by using larger and more complex reward architectures such as transformers. Instead of using highly complex architectures, we develop a new and parameter-efficient algorithm, Inverse Preference Learning (IPL), specifically designed for learning from offline preference data. Our key insight is that for a fixed policy, the Q-function encodes all information about the reward function, effectively making them interchangeable. Using this insight, we completely eliminate the need for a learned reward function. Our resulting algorithm is simpler and more parameter-efficient. Across a suite of continuous control and robotics benchmarks, IPL attains competitive performance compared to more complex approaches that leverage transformer-based and non-Markovian reward functions while having fewer algorithmic hyperparameters and learned network parameters. Our code is publicly released.

Reinforcement Learning from Human Feedback (RLHF) has proven effective in aligning large language models with human intentions, yet it often relies on complex methodologies like Proximal Policy Optimization (PPO) that require extensive hyper-parameter tuning and present challenges in sample efficiency and stability. In this paper, we introduce Inverse-Q*, an innovative framework that transcends traditional RL methods by optimizing token-level reinforcement learning without the need for additional reward or value models. Inverse-Q* leverages direct preference optimization techniques but extends them by estimating the conditionally optimal policy directly from the model's responses, facilitating more granular and flexible policy shaping. Our approach reduces reliance on human annotation and external supervision, making it especially suitable for low-resource settings. We present extensive experimental results demonstrating that Inverse-Q* not only matches but potentially exceeds the effectiveness of PPO in terms of convergence speed and the alignment of model responses with human preferences. Our findings suggest that Inverse-Q* offers a practical and robust alternative to conventional RLHF approaches, paving the way for more efficient and adaptable model training approaches.

Multi-step matching models, including flow and diffusion models, produce high-quality outputs but incur substantial inference costs and may reproduce unwanted components of their training datasets. We introduce Inverse Distillation Unlearning (IDU), a unified framework that simultaneously distills a teacher multi-step matching model into an efficient one-step student generator and suppresses outputs corresponding to a designated training subset. We first formulate distillation as a min-max objective over a data distribution and then represent this distribution as a mixture of the forget-set and the generated distributions. This allows us to compare this mixture with the teacher's training distribution and recover only the retained data at the optimum. Our method requires only a pretrained full-data teacher and data from the forget set, without access to retained training examples, extra feature extractors or classifiers. Extensive experiments on MNIST and CIFAR-10 datasets under flow-matching and score-based diffusion settings demonstrate that IDU substantially reduces the generation frequency of forgotten classes while preserving generation quality on the retained classes. To the best of our knowledge, IDU is the first unified framework for simultaneous unlearning and distillation in unconditional flow-matching and score-based models.

Inverse reinforcement learning (IRL) offers a powerful and general framework for learning humans' latent preferences in route recommendation, yet no approach has successfully addressed planetary-scale problems with hundreds of millions of states and demonstration trajectories. In this paper, we introduce scaling techniques based on graph compression, spatial parallelization, and improved initialization conditions inspired by a connection to eigenvector algorithms. We revisit classic IRL methods in the routing context, and make the key observation that there exists a trade-off between the use of cheap, deterministic planners and expensive yet robust stochastic policies. This insight is leveraged in Receding Horizon Inverse Planning (RHIP), a new generalization of classic IRL algorithms that provides fine-grained control over performance trade-offs via its planning horizon. Our contributions culminate in a policy that achieves a 16-24% improvement in route quality at a global scale, and to the best of our knowledge, represents the largest published study of IRL algorithms in a real-world setting to date. We conclude by conducting an ablation study of key components, presenting negative results from alternative eigenvalue solvers, and identifying opportunities to further improve scalability via IRL-specific batching strategies.

This paper considers an aggregator of Electric Vehicles (EVs) who aims to learn the aggregate power of his/her fleet while also participating in the electricity market. The proposed approach is based on a data-driven inverse optimization (IO) method, which is highly nonlinear. To overcome such a caveat, we use a two-step estimation procedure which requires solving two convex programs. Both programs depend on penalty parameters that can be adjusted by using grid search. In addition, we propose the use of kernel regression to account for the nonlinear relationship between the behaviour of the pool of EVs and the explanatory variables, i.e., the past electricity prices and EV fleet's driving patterns. Unlike any other forecasting method, the proposed IO framework also allows the aggregator to derive a bid/offer curve, i.e. the tuple of price-quantity to be submitted to the electricity market, according to the market rules. We show the benefits of the proposed method against the machine-learning techniques that are reported to exhibit the best forecasting performance for this application in the technical literature.

Invertible neural networks (INNs) are neural network architectures with invertibility by design. Thanks to their invertibility and the tractability of Jacobian, INNs have various machine learning applications such as probabilistic modeling, generative modeling, and representation learning. However, their attractive properties often come at the cost of restricting the layer designs, which poses a question on their representation power: can we use these models to approximate sufficiently diverse functions? To answer this question, we have developed a general theoretical framework to investigate the representation power of INNs, building on a structure theorem of differential geometry. The framework simplifies the approximation problem of diffeomorphisms, which enables us to show the universal approximation properties of INNs. We apply the framework to two representative classes of INNs, namely Coupling-Flow-based INNs (CF-INNs) and Neural Ordinary Differential Equations (NODEs), and elucidate their high representation power despite the restrictions on their architectures.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

A key challenge in machine learning is to explain how learning dynamics select among the many solutions that achieve identical loss values in overparameterized models - a phenomenon known as implicit bias. Controlling this bias provides a direct mechanism on learned representations, which are central to interpretability, robustness, and reasoning in modern AI systems. Yet, despite its importance, existing explanations remain largely ad hoc and lack a unifying mechanism. We develop a theoretical and constructive framework in which implicit bias emerges as a geometric correction induced by the interplay between gradient noise and continuous symmetries of the loss. We compute the induced bias across a range of architectures, predicting new behaviors and explaining known ones. The approach also enables inverse design: by engineering predictor - preserving parameterizations, it is possible to shape the bias, with sparsity and spectral sparsity emerging as canonical instances. Numerical experiments support the theory and validate the inverse - design framework in controlled settings.

Inverse reinforcement learning (IRL) aims to infer an agent's preferences (represented as a reward function R) from their behaviour (represented as a policy pi). To do this, we need a behavioural model of how pi relates to R. In the current literature, the most common behavioural models are optimality, Boltzmann-rationality, and causal entropy maximisation. However, the true relationship between a human's preferences and their behaviour is much more complex than any of these behavioural models. This means that the behavioural models are misspecified, which raises the concern that they may lead to systematic errors if applied to real data. In this paper, we analyse how sensitive the IRL problem is to misspecification of the behavioural model. Specifically, we provide necessary and sufficient conditions that completely characterise how the observed data may differ from the assumed behavioural model without incurring an error above a given threshold. In addition to this, we also characterise the conditions under which a behavioural model is robust to small perturbations of the observed policy, and we analyse how robust many behavioural models are to misspecification of their parameter values (such as e.g.\ the discount rate). Our analysis suggests that the IRL problem is highly sensitive to misspecification, in the sense that very mild misspecification can lead to very large errors in the inferred reward function.

One of the challenges in applying reinforcement learning in a complex real-world environment lies in providing the agent with a sufficiently detailed reward function. Any misalignment between the reward and the desired behavior can result in unwanted outcomes. This may lead to issues like "reward hacking" where the agent maximizes rewards by unintended behavior. In this work, we propose to disentangle the reward into two distinct parts. A simple task-specific reward, outlining the particulars of the task at hand, and an unknown common-sense reward, indicating the expected behavior of the agent within the environment. We then explore how this common-sense reward can be learned from expert demonstrations. We first show that inverse reinforcement learning, even when it succeeds in training an agent, does not learn a useful reward function. That is, training a new agent with the learned reward does not impair the desired behaviors. We then demonstrate that this problem can be solved by training simultaneously on multiple tasks. That is, multi-task inverse reinforcement learning can be applied to learn a useful reward function.

Diffusion model-based inverse problem solvers have shown impressive performance, but are limited in speed, mostly as they require reverse diffusion sampling starting from noise. Several recent works have tried to alleviate this problem by building a diffusion process, directly bridging the clean and the corrupted for specific inverse problems. In this paper, we first unify these existing works under the name Direct Diffusion Bridges (DDB), showing that while motivated by different theories, the resulting algorithms only differ in the choice of parameters. Then, we highlight a critical limitation of the current DDB framework, namely that it does not ensure data consistency. To address this problem, we propose a modified inference procedure that imposes data consistency without the need for fine-tuning. We term the resulting method data Consistent DDB (CDDB), which outperforms its inconsistent counterpart in terms of both perception and distortion metrics, thereby effectively pushing the Pareto-frontier toward the optimum. Our proposed method achieves state-of-the-art results on both evaluation criteria, showcasing its superiority over existing methods.

Probabilistic models are typically trained using task-agnostic objectives like log-loss, which can lead to significant errors in downstream estimation. This disconnect is especially critical in Inverse Probability Weighting (IPW) for causal inference, where propensity score errors near 0 and 1 often lead to high bias and variance. We propose a principled framework for deriving task-specific strictly proper scoring rules by matching the local curvature of the downstream error metric. We apply this to the Average Treatment Effect (ATE) estimation, deriving a closed-form loss and its corresponding canonical probability mapping that can be readily integrated with any model like a neural network or a gradient boosting algorithm. Extensive evaluations on causal inference benchmarks demonstrate that our tailored objective consistently outperforms standard likelihood-based and covariate-balancing approaches.

Inverse graphics is a longstanding and highly underconstrained problem that seeks to reconstruct images as editable 3D scenes which can be rendered, relit, and manipulated. In this work, we investigate whether pretrained vision-language models (VLMs) can perform executable inverse graphics directly from a single image by reconstructing a scene as an editable Blender program, without relying on specialized 2D or 3D foundation models, differentiable rendering, or multi-view supervision. We introduce Staged Executable Inverse Graphics (SEIG), an agentic framework that reconstructs a 3D scene from a single image by progressively refining scene factors including geometry, materials, composition, and lighting directly in executable Blender code space. We evaluate our framework across diverse scenes using a range of reconstruction metrics spanning pixel-level, perceptual, and semantic fidelity. Our experiments show that staged reconstruction substantially improves reconstruction fidelity, highlighting the importance of task decomposition for executable inverse graphics with general-purpose VLMs. Finally, we showcase various downstream applications enabled by the reconstructed editable Blender scenes.

Optimizing objective functions subject to constraints is fundamental in many real-world applications. However, these constraints are often not readily defined and must be inferred from expert agent behaviors, a problem known as Inverse Constraint Inference. Inverse Constrained Reinforcement Learning (ICRL) is a common solver for recovering feasible constraints in complex environments, relying on training samples collected from interactive environments. However, the efficacy and efficiency of current sampling strategies remain unclear. We propose a strategic exploration framework for sampling with guaranteed efficiency to bridge this gap. By defining the feasible cost set for ICRL problems, we analyze how estimation errors in transition dynamics and the expert policy influence the feasibility of inferred constraints. Based on this analysis, we introduce two exploratory algorithms to achieve efficient constraint inference via 1) dynamically reducing the bounded aggregate error of cost estimations or 2) strategically constraining the exploration policy around plausibly optimal ones. Both algorithms are theoretically grounded with tractable sample complexity, and their performance is validated empirically across various environments.

In Federated Learning (FL) and many other distributed training frameworks, collaborators can hold their private data locally and only share the network weights trained with the local data after multiple iterations. Gradient inversion is a family of privacy attacks that recovers data from its generated gradients. Seemingly, FL can provide a degree of protection against gradient inversion attacks on weight updates, since the gradient of a single step is concealed by the accumulation of gradients over multiple local iterations. In this work, we propose a principled way to extend gradient inversion attacks to weight updates in FL, thereby better exposing weaknesses in the presumed privacy protection inherent in FL. In particular, we propose a surrogate model method based on the characteristic of two-dimensional gradient flow and low-rank property of local updates. Our method largely boosts the ability of gradient inversion attacks on weight updates containing many iterations and achieves state-of-the-art (SOTA) performance. Additionally, our method runs up to 100times faster than the SOTA baseline in the common FL scenario. Our work re-evaluates and highlights the privacy risk of sharing network weights. Our code is available at https://github.com/JunyiZhu-AI/surrogate_model_extension.

Given a set of trajectories demonstrating the execution of a task safely in a constrained MDP with observable rewards but with unknown constraints and non-observable costs, we aim to find a policy that maximizes the likelihood of demonstrated trajectories trading the balance between being conservative and increasing significantly the likelihood of high-rewarding trajectories but with potentially unsafe steps. Having these objectives, we aim towards learning a policy that maximizes the probability of the most promising trajectories with respect to the demonstrations. In so doing, we formulate the ``promise" of individual state-action pairs in terms of Q values, which depend on task-specific rewards as well as on the assessment of states' safety, mixing expectations in terms of rewards and safety. This entails a safe Q-learning perspective of the inverse learning problem under constraints: The devised Safe Q Inverse Constrained Reinforcement Learning (SafeQIL) algorithm is compared to state-of-the art inverse constraint reinforcement learning algorithms to a set of challenging benchmark tasks, showing its merits.

Inverse graphics -- the task of inverting an image into physical variables that, when rendered, enable reproduction of the observed scene -- is a fundamental challenge in computer vision and graphics. Disentangling an image into its constituent elements, such as the shape, color, and material properties of the objects of the 3D scene that produced it, requires a comprehensive understanding of the environment. This requirement limits the ability of existing carefully engineered approaches to generalize across domains. Inspired by the zero-shot ability of large language models (LLMs) to generalize to novel contexts, we investigate the possibility of leveraging the broad world knowledge encoded in such models in solving inverse-graphics problems. To this end, we propose the Inverse-Graphics Large Language Model (IG-LLM), an inverse-graphics framework centered around an LLM, that autoregressively decodes a visual embedding into a structured, compositional 3D-scene representation. We incorporate a frozen pre-trained visual encoder and a continuous numeric head to enable end-to-end training. Through our investigation, we demonstrate the potential of LLMs to facilitate inverse graphics through next-token prediction, without the use of image-space supervision. Our analysis opens up new possibilities for precise spatial reasoning about images that exploit the visual knowledge of LLMs. We will release our code and data to ensure the reproducibility of our investigation and to facilitate future research at https://ig-llm.is.tue.mpg.de/

Invertible neural networks based on coupling flows (CF-INNs) have various machine learning applications such as image synthesis and representation learning. However, their desirable characteristics such as analytic invertibility come at the cost of restricting the functional forms. This poses a question on their representation power: are CF-INNs universal approximators for invertible functions? Without a universality, there could be a well-behaved invertible transformation that the CF-INN can never approximate, hence it would render the model class unreliable. We answer this question by showing a convenient criterion: a CF-INN is universal if its layers contain affine coupling and invertible linear functions as special cases. As its corollary, we can affirmatively resolve a previously unsolved problem: whether normalizing flow models based on affine coupling can be universal distributional approximators. In the course of proving the universality, we prove a general theorem to show the equivalence of the universality for certain diffeomorphism classes, a theoretical insight that is of interest by itself.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.

Recent advancements in text-guided diffusion models have unlocked powerful image manipulation capabilities. However, applying these methods to real images necessitates the inversion of the images into the domain of the pretrained diffusion model. Achieving faithful inversion remains a challenge, particularly for more recent models trained to generate images with a small number of denoising steps. In this work, we introduce an inversion method with a high quality-to-operation ratio, enhancing reconstruction accuracy without increasing the number of operations. Building on reversing the diffusion sampling process, our method employs an iterative renoising mechanism at each inversion sampling step. This mechanism refines the approximation of a predicted point along the forward diffusion trajectory, by iteratively applying the pretrained diffusion model, and averaging these predictions. We evaluate the performance of our ReNoise technique using various sampling algorithms and models, including recent accelerated diffusion models. Through comprehensive evaluations and comparisons, we show its effectiveness in terms of both accuracy and speed. Furthermore, we confirm that our method preserves editability by demonstrating text-driven image editing on real images.

Inverse Reinforcement Learning (IRL) seeks to infer reward functions from expert demonstrations. When demonstrations originate from multiple experts with different intentions, the problem is known as Multi-Intention IRL (MI-IRL). Recent deep generative MI-IRL approaches couple behavior clustering and reward learning, but typically require prior knowledge of the number of true behavioral modes K^*. This reliance on expert knowledge limits their adaptability to new behaviors, and only enables analysis related to the learned rewards, and not across the behavior modes used to train them. We propose Contrastive Multi-Intention IRL (CoMI-IRL), a transformer-based unsupervised framework that decouples behavior representation and clustering from downstream reward learning. Our experiments show that CoMI-IRL outperforms existing approaches without a priori knowledge of K^* or labels, while allowing for visual interpretation of behavior relationships and adaptation to unseen behavior without full retraining.

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and structures, a fundamental challenge remains: the objective misalignment between likelihood-based sampling in generative modelling and targeted focus on underexplored regions where novel compounds reside. Here, we introduce a reinforcement learning framework that guides latent denoising diffusion models toward diverse and novel, yet thermodynamically viable crystalline compounds. Our approach integrates group relative policy optimisation with verifiable, multi-objective rewards that jointly balance creativity, stability, and diversity. Beyond de novo generation, we demonstrate enhanced property-guided design that preserves chemical validity, while targeting desired functional properties. This approach establishes a modular foundation for controllable AI-driven inverse design that addresses the novelty-validity trade-off across scientific discovery applications of generative models.

Inverse materials design is a long-standing goal of computational materials discovery. Generative models for crystalline materials are typically trained to match the distribution of a structure database, while nothing in their training objective points them at specific design goals such as targeted properties. We use group-relative policy optimization (GRPO) to align a generative model based on stochastic interpolants and discrete flow matching with general black-box reward functions through reinforcement learning. Atom types are generated by a discrete flow and the policy gradient of our generalization of GRPO directly acts on the likelihoods of the atom-type transitions, which differentiates our work from previous reinforcement-learning approaches for diffusion and flow-based generative models of crystalline materials. We introduce a reward function that raises the yield of metastable, unique and novel structures (mSUN) from 13.4% for the pretrained model to 45.5% for the reinforced model, as evaluated by a community benchmark. Our reward also improves the performance of a reinforcement learning framework for crystalline materials based on latent denoising diffusion models. At the same time, we find that directly reinforcing atom-type transition likelihoods enables reward exploitation that has to be prevented with explicit guards. The same analysis also exposes a gap in the community metric. Single-element structures in distinct packings are counted as metastable, unique and novel materials and inflate mSUN without yielding any new compounds. A stability claim is only as good as its reference hull. We report every result split by the number of reference phases behind it and argue that benchmarks should do the same.

When reward functions are hand-designed, deep reinforcement learning algorithms often suffer from reward misspecification, causing them to learn suboptimal policies in terms of the intended task objectives. In the single-agent case, inverse reinforcement learning (IRL) techniques attempt to address this issue by inferring the reward function from expert demonstrations. However, in multi-agent problems, misalignment between the learned and true objectives is exacerbated due to increased environment non-stationarity and variance that scales with multiple agents. As such, in multi-agent general-sum games, multi-agent IRL algorithms have difficulty balancing cooperative and competitive objectives. To address these issues, we propose Multi-Agent Marginal Q-Learning from Demonstrations (MAMQL), a novel sample-efficient framework for multi-agent IRL. For each agent, MAMQL learns a critic marginalized over the other agents' policies, allowing for a well-motivated use of Boltzmann policies in the multi-agent context. We identify a connection between optimal marginalized critics and single-agent soft-Q IRL, allowing us to apply a direct, simple optimization criterion from the single-agent domain. Across our experiments on three different simulated domains, MAMQL significantly outperforms previous multi-agent methods in average reward, sample efficiency, and reward recovery by often more than 2-5x. We make our code available at https://sites.google.com/view/mamql .

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

Work on scaling laws has found that large language models (LMs) show predictable improvements to overall loss with increased scale (model size, training data, and compute). Here, we present evidence for the claim that LMs may show inverse scaling, or worse task performance with increased scale, e.g., due to flaws in the training objective and data. We present empirical evidence of inverse scaling on 11 datasets collected by running a public contest, the Inverse Scaling Prize, with a substantial prize pool. Through analysis of the datasets, along with other examples found in the literature, we identify four potential causes of inverse scaling: (i) preference to repeat memorized sequences over following in-context instructions, (ii) imitation of undesirable patterns in the training data, (iii) tasks containing an easy distractor task which LMs could focus on, rather than the harder real task, and (iv) correct but misleading few-shot demonstrations of the task. We release the winning datasets at https://inversescaling.com/data to allow for further investigation of inverse scaling. Our tasks have helped drive the discovery of U-shaped and inverted-U scaling trends, where an initial trend reverses, suggesting that scaling trends are less reliable at predicting the behavior of larger-scale models than previously understood. Overall, our results suggest that there are tasks for which increased model scale alone may not lead to progress, and that more careful thought needs to go into the data and objectives for training language models.

Diffusion models are often introduced from multiple perspectives, such as VAEs, score matching, or flow matching, accompanied by dense and technically demanding mathematics that can be difficult for beginners to grasp. One classic question is: how does the reverse process invert the forward process to generate data from pure noise? This article systematically organizes the diffusion model from a fresh Langevin perspective, offering a simpler, clearer, and more intuitive answer. We also address the following questions: how can ODE-based and SDE-based diffusion models be unified under a single framework? Why are diffusion models theoretically superior to ordinary VAEs? Why is flow matching not fundamentally simpler than denoising or score matching, but equivalent under maximum-likelihood? We demonstrate that the Langevin perspective offers clear and straightforward answers to these questions, bridging existing interpretations of diffusion models, showing how different formulations can be converted into one another within a common framework, and offering pedagogical value for both learners and experienced researchers seeking deeper intuition.

Classifier-free guidance (CFG) is a fundamental tool in modern diffusion models for text-guided generation. Although effective, CFG has notable drawbacks. For instance, DDIM with CFG lacks invertibility, complicating image editing; furthermore, high guidance scales, essential for high-quality outputs, frequently result in issues like mode collapse. Contrary to the widespread belief that these are inherent limitations of diffusion models, this paper reveals that the problems actually stem from the off-manifold phenomenon associated with CFG, rather than the diffusion models themselves. More specifically, inspired by the recent advancements of diffusion model-based inverse problem solvers (DIS), we reformulate text-guidance as an inverse problem with a text-conditioned score matching loss, and develop CFG++, a novel approach that tackles the off-manifold challenges inherent in traditional CFG. CFG++ features a surprisingly simple fix to CFG, yet it offers significant improvements, including better sample quality for text-to-image generation, invertibility, smaller guidance scales, reduced mode collapse, etc. Furthermore, CFG++ enables seamless interpolation between unconditional and conditional sampling at lower guidance scales, consistently outperforming traditional CFG at all scales. Experimental results confirm that our method significantly enhances performance in text-to-image generation, DDIM inversion, editing, and solving inverse problems, suggesting a wide-ranging impact and potential applications in various fields that utilize text guidance. Project Page: https://cfgpp-diffusion.github.io/.

Multi-task Imitation Learning (MIL) aims to train a policy capable of performing a distribution of tasks based on multi-task expert demonstrations, which is essential for general-purpose robots. Existing MIL algorithms suffer from low data efficiency and poor performance on complex long-horizontal tasks. We develop Multi-task Hierarchical Adversarial Inverse Reinforcement Learning (MH-AIRL) to learn hierarchically-structured multi-task policies, which is more beneficial for compositional tasks with long horizons and has higher expert data efficiency through identifying and transferring reusable basic skills across tasks. To realize this, MH-AIRL effectively synthesizes context-based multi-task learning, AIRL (an IL approach), and hierarchical policy learning. Further, MH-AIRL can be adopted to demonstrations without the task or skill annotations (i.e., state-action pairs only) which are more accessible in practice. Theoretical justifications are provided for each module of MH-AIRL, and evaluations on challenging multi-task settings demonstrate superior performance and transferability of the multi-task policies learned with MH-AIRL as compared to SOTA MIL baselines.

Given the existence of various forward and inverse problems in combustion studies and applications that necessitate distinct methods for resolution, a framework to solve them in a unified way is critically needed. A promising approach is the integration of machine learning methods with governing equations of combustion systems, which exhibits superior generality and few-shot learning ability compared to purely data-driven methods. In this work, the FlamePINN-1D framework is proposed to solve the forward and inverse problems of 1D laminar flames based on physics-informed neural networks. Three cases with increasing complexity have been tested: Case 1 are freely-propagating premixed (FPP) flames with simplified physical models, while Case 2 and Case 3 are FPP and counterflow premixed (CFP) flames with detailed models, respectively. For forward problems, FlamePINN-1D aims to solve the flame fields and infer the unknown eigenvalues (such as laminar flame speeds) under the constraints of governing equations and boundary conditions. For inverse problems, FlamePINN-1D aims to reconstruct the continuous fields and infer the unknown parameters (such as transport and chemical kinetics parameters) from noisy sparse observations of the flame. Our results strongly validate these capabilities of FlamePINN-1D across various flames and working conditions. Compared to traditional methods, FlamePINN-1D is differentiable and mesh-free, exhibits no discretization errors, and is easier to implement for inverse problems. The inverse problem results also indicate the possibility of optimizing chemical mechanisms from measurements of laboratory 1D flames. Furthermore, some proposed strategies, such as hard constraints and thin-layer normalization, are proven to be essential for the robust learning of FlamePINN-1D. The code for this paper is partially available at https://github.com/CAME-THU/FlamePINN-1D.

Diffusion model-based inverse problem solvers have demonstrated state-of-the-art performance in cases where the forward operator is known (i.e. non-blind). However, the applicability of the method to blind inverse problems has yet to be explored. In this work, we show that we can indeed solve a family of blind inverse problems by constructing another diffusion prior for the forward operator. Specifically, parallel reverse diffusion guided by gradients from the intermediate stages enables joint optimization of both the forward operator parameters as well as the image, such that both are jointly estimated at the end of the parallel reverse diffusion procedure. We show the efficacy of our method on two representative tasks -- blind deblurring, and imaging through turbulence -- and show that our method yields state-of-the-art performance, while also being flexible to be applicable to general blind inverse problems when we know the functional forms.

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications. Towards this, we examine the effect of shaping the distribution at intermediate noise levels induced by diffusion models. First, we show that existing variants of Rejection sAmpling based Fine-Tuning (RAFT), which we unify as GRAFT, can implicitly perform KL regularized reward maximization with reshaped rewards. Motivated by this observation, we introduce P-GRAFT to shape distributions at intermediate noise levels and demonstrate empirically that this can lead to more effective fine-tuning. We mathematically explain this via a bias-variance tradeoff. Next, we look at correcting learning errors in pre-trained flow models based on the developed mathematical framework. In particular, we propose inverse noise correction, a novel algorithm to improve the quality of pre-trained flow models without explicit rewards. We empirically evaluate our methods on text-to-image(T2I) generation, layout generation, molecule generation and unconditional image generation. Notably, our framework, applied to Stable Diffusion v2, improves over policy gradient methods on popular T2I benchmarks in terms of VQAScore and shows an 8.81% relative improvement over the base model. For unconditional image generation, inverse noise correction improves FID of generated images at lower FLOPs/image.

Large Language Models (LLMs) have demonstrated remarkable capabilities at solving complex reasoning tasks with Chain-of-Thought (CoT) prompting, but their decision-making processes remain somewhat blackbox. We introduce textbfinverse reasoning, a novel paradigm enabling LLMs to decompose and explain their own reasoning chains post-hoc. Our approach, used in SAGE-nano, a 4-billion-parameter reasoning model, employs a metacognitive structure that reflects back via attention processes to identify major decision points and generate explanations of reasoning choices. While typical CoT approaches are directed towards forward reasoning generation, inverse reasoning provides insight into why specific reasoning chains were selected over others. Through thorough testing of logical reasoning puzzles, math problems and ethical dilemmas from AQUA-RAT, CommonsenseQA, and customized benchmarks, we demonstrate that SAGE-nano is at the cutting edge both on reasoning accuracy (74.6% on AQUA-RAT) and explanation quality (92.1% human preference score) for its task, and offers performance almost on par with models like Claude-3.5 Sonnet or GPT-4o. Our contributions are: (i) the first rigorous framework for LLM self-reflection via inverse reasoning, (ii) a novel metalearning framework to reverse the attention flow, (iii) comprehensive evaluation frameworks for reasoning transparency, and (iv) evidence that increasing reasoning using inverse reasoning improves interpretability along with reasoning performance. Our work creates new avenues for transparent AI systems and closes significant gaps in AI safety, education, and scientific discovery.

Imitation learning holds tremendous promise in learning policies efficiently for complex decision making problems. Current state-of-the-art algorithms often use inverse reinforcement learning (IRL), where given a set of expert demonstrations, an agent alternatively infers a reward function and the associated optimal policy. However, such IRL approaches often require substantial online interactions for complex control problems. In this work, we present Regularized Optimal Transport (ROT), a new imitation learning algorithm that builds on recent advances in optimal transport based trajectory-matching. Our key technical insight is that adaptively combining trajectory-matching rewards with behavior cloning can significantly accelerate imitation even with only a few demonstrations. Our experiments on 20 visual control tasks across the DeepMind Control Suite, the OpenAI Robotics Suite, and the Meta-World Benchmark demonstrate an average of 7.8X faster imitation to reach 90% of expert performance compared to prior state-of-the-art methods. On real-world robotic manipulation, with just one demonstration and an hour of online training, ROT achieves an average success rate of 90.1% across 14 tasks.

Recent approaches in controllable novel view video generation often rely on fine-tuning pre-trained Video Diffusion Models (VDMs). This dominant paradigm is computationally expensive and frequently suffers from catastrophic forgetting of the model's original generative priors. To address this challenge, here we propose InverseCrafter, a VDM training-free framework that reformulates novel view video generation as an inpainting-based inverse problem in the latent space, eliminating the need for any annotated 4D training data. The core of our method is to establish operator equivalence by employing a lightweight latent mask encoder to define a latent-domain masking operation via a continuous, multi-channel representation. This principled representation faithfully models the forward process in the latent domain, enabling efficient, backpropagation-free solvers while bypassing the costly bottleneck of repeated VAE operations. InverseCrafter achieves high-fidelity, spatio-temporally coherent novel view synthesis with near-zero additional inference overhead and excels at general-purpose video inpainting and editing by fully preserving the pre-trained VDM's generative capabilities.

In this paper, we aim to tackle the limitation of the Adversarial Inverse Reinforcement Learning (AIRL) method in stochastic environments where theoretical results cannot hold and performance is degraded. To address this issue, we propose a novel method which infuses the dynamics information into the reward shaping with the theoretical guarantee for the induced optimal policy in the stochastic environments. Incorporating our novel model-enhanced rewards, we present a novel Model-Enhanced AIRL framework, which integrates transition model estimation directly into reward shaping. Furthermore, we provide a comprehensive theoretical analysis of the reward error bound and performance difference bound for our method. The experimental results in MuJoCo benchmarks show that our method can achieve superior performance in stochastic environments and competitive performance in deterministic environments, with significant improvement in sample efficiency, compared to existing baselines.

Observational learning requires an agent to learn to perform a task by referencing only observations of the performed task. This work investigates the equivalent setting in real-world robot learning where access to hand-designed rewards and demonstrator actions are not assumed. To address this data-constrained setting, this work presents a planning-based Inverse Reinforcement Learning (IRL) algorithm for world modeling from observation and interaction alone. Experiments conducted entirely in the real-world demonstrate that this paradigm is effective for learning image-based manipulation tasks from scratch in under an hour, without assuming prior knowledge, pre-training, or data of any kind beyond task observations. Moreover, this work demonstrates that the learned world model representation is capable of online transfer learning in the real-world from scratch. In comparison to existing approaches, including IRL, RL, and Behavior Cloning (BC), which have more restrictive assumptions, the proposed approach demonstrates significantly greater sample efficiency and success rates, enabling a practical path forward for online world modeling and planning from observation and interaction. Videos and more at: https://uwrobotlearning.github.io/mpail2/.

A new generalized matrix inverse is derived which is consistent with respect to arbitrary nonsingular diagonal transformations, e.g., it preserves units associated with variables under state space transformations, thus providing a general solution to a longstanding open problem relevant to a wide variety of applications in robotics, tracking, and control systems. The new inverse complements the Drazin inverse (which is consistent with respect to similarity transformations) and the Moore-Penrose inverse (which is consistent with respect to unitary/orthonormal transformations) to complete a trilogy of generalized matrix inverses that exhausts the standard family of analytically-important linear system transformations. Results are generalized to obtain unit-consistent and unit-invariant matrix decompositions and examples of their use are described.

In this paper, we propose a scene-level inverse rendering framework that uses multi-view images to decompose the scene into geometry, SVBRDF, and 3D spatially-varying lighting. While multi-view images have been widely used for object-level inverse rendering, scene-level inverse rendering has primarily been studied using single-view images due to the lack of a dataset containing high dynamic range multi-view images with ground-truth geometry, material, and spatially-varying lighting. To improve the quality of scene-level inverse rendering, a novel framework called Multi-view Attention Inverse Rendering (MAIR) was recently introduced. MAIR performs scene-level multi-view inverse rendering by expanding the OpenRooms dataset, designing efficient pipelines to handle multi-view images, and splitting spatially-varying lighting. Although MAIR showed impressive results, its lighting representation is fixed to spherical Gaussians, which limits its ability to render images realistically. Consequently, MAIR cannot be directly used in applications such as material editing. Moreover, its multi-view aggregation networks have difficulties extracting rich features because they only focus on the mean and variance between multi-view features. In this paper, we propose its extended version, called MAIR++. MAIR++ addresses the aforementioned limitations by introducing an implicit lighting representation that accurately captures the lighting conditions of an image while facilitating realistic rendering. Furthermore, we design a directional attention-based multi-view aggregation network to infer more intricate relationships between views. Experimental results show that MAIR++ not only achieves better performance than MAIR and single-view-based methods, but also displays robust performance on unseen real-world scenes.

Unlike the predictable scaling laws in natural language processing and computer vision, protein language models (PLMs) scale poorly: for many tasks, models within the same family plateau or even decrease in performance, with mid-sized models often outperforming the largest in the family. We introduce Reverse Distillation, a principled framework that decomposes large PLM representations into orthogonal subspaces guided by smaller models of the same family. The resulting embeddings have a nested, Matryoshka-style structure: the first k dimensions of a larger model's embedding are exactly the representation from the smaller model. This ensures that larger reverse-distilled models consistently outperform smaller ones. A motivating intuition is that smaller models, constrained by capacity, preferentially encode broadly-shared protein features. Reverse distillation isolates these shared features and orthogonally extracts additional contributions from larger models, preventing interference between the two. On ProteinGym benchmarks, reverse-distilled ESM-2 variants outperform their respective baselines at the same embedding dimensionality, with the reverse-distilled 15 billion parameter model achieving the strongest performance. Our framework is generalizable to any model family where scaling challenges persist. Code and trained models are available at https://github.com/rohitsinghlab/plm_reverse_distillation.

Finding an initial noise vector that produces an input image when fed into the diffusion process (known as inversion) is an important problem in denoising diffusion models (DDMs), with applications for real image editing. The state-of-the-art approach for real image editing with inversion uses denoising diffusion implicit models (DDIMs) to deterministically noise the image to the intermediate state along the path that the denoising would follow given the original conditioning. However, DDIM inversion for real images is unstable as it relies on local linearization assumptions, which result in the propagation of errors, leading to incorrect image reconstruction and loss of content. To alleviate these problems, we propose Exact Diffusion Inversion via Coupled Transformations (EDICT), an inversion method that draws inspiration from affine coupling layers. EDICT enables mathematically exact inversion of real and model-generated images by maintaining two coupled noise vectors which are used to invert each other in an alternating fashion. Using Stable Diffusion, a state-of-the-art latent diffusion model, we demonstrate that EDICT successfully reconstructs real images with high fidelity. On complex image datasets like MS-COCO, EDICT reconstruction significantly outperforms DDIM, improving the mean square error of reconstruction by a factor of two. Using noise vectors inverted from real images, EDICT enables a wide range of image edits--from local and global semantic edits to image stylization--while maintaining fidelity to the original image structure. EDICT requires no model training/finetuning, prompt tuning, or extra data and can be combined with any pretrained DDM. Code is available at https://github.com/salesforce/EDICT.

Normalizing flows are an essential alternative to GANs for generative modelling, which can be optimized directly on the maximum likelihood of the dataset. They also allow computation of the exact latent vector corresponding to an image since they are composed of invertible transformations. However, the requirement of invertibility of the transformation prevents standard and expressive neural network models such as CNNs from being directly used. Emergent convolutions were proposed to construct an invertible 3times3 CNN layer using a pair of masked CNN layers, making them inefficient. We study conditions such that 3times3 CNNs are invertible, allowing them to construct expressive normalizing flows. We derive necessary and sufficient conditions on a padded CNN for it to be invertible. Our conditions for invertibility are simple, can easily be maintained during the training process. Since we require only a single CNN layer for every effective invertible CNN layer, our approach is more efficient than emerging convolutions. We also proposed a coupling method, Quad-coupling. We benchmark our approach and show similar performance results to emergent convolutions while improving the model's efficiency.

Scaling up language models has been empirically shown to improve performance on a wide range of downstream tasks. However, if we were to observe worse performance as a function of scale ("inverse scaling") on certain tasks, this would indicate that scaling can also encourage behaviors that are misaligned with human preferences. The Inverse Scaling Prize (McKenzie et al. 2022) identified eleven such inverse scaling tasks, evaluated on models of up to 280B parameters and up to 500 zettaFLOPs of training compute. This paper takes a closer look at these inverse scaling tasks. We evaluate models of up to 540B parameters, trained on five times more compute than those evaluated in the Inverse Scaling Prize. With this increased range of model sizes and training compute, only four out of the eleven tasks remain inverse scaling. Six out of the eleven tasks exhibit "U-shaped scaling", where performance decreases up to a certain size, and then increases again up to the largest model evaluated (the one remaining task displays positive scaling). In addition, we find that 1-shot examples and chain-of-thought can help mitigate undesirable scaling patterns even further. U-shaped scaling suggests that the inverse scaling trend observed in McKenzie et al. (2022) may not continue to hold for larger models, which we attribute to the presence of distractor tasks that only sufficiently large models can avoid.

Flow matching is a recent state-of-the-art framework for generative modeling based on ordinary differential equations (ODEs). While closely related to diffusion models, it provides a more general perspective on generative modeling. Although inverse problem solving has been extensively explored using diffusion models, it has not been rigorously examined within the broader context of flow models. Therefore, here we extend the diffusion inverse solvers (DIS) - which perform posterior sampling by combining a denoising diffusion prior with an likelihood gradient - into the flow framework. Specifically, by driving the flow-version of Tweedie's formula, we decompose the flow ODE into two components: one for clean image estimation and the other for noise estimation. By integrating the likelihood gradient and stochastic noise into each component, respectively, we demonstrate that posterior sampling for inverse problem solving can be effectively achieved using flows. Our proposed solver, Flow-Driven Posterior Sampling (FlowDPS), can also be seamlessly integrated into a latent flow model with a transformer architecture. Across four linear inverse problems, we confirm that FlowDPS outperforms state-of-the-art alternatives, all without requiring additional training.

On-policy distillation (OPD) supervises a student on its own trajectories with token-level signals from a frozen teacher, yet how a sampled loss allocates updates across tokens remains poorly understood. We analyze the gradient of the per-token K2 estimator of reverse KL with respect to the student logits. The ell_1 norm of this gradient factorizes into the absolute teacher--student log-probability gap and a student-side softmax factor that grows as the sampled token becomes less likely under the student. In our math-distillation runs, these per-token norms are highly non-uniform: low-student-probability tokens account for a disproportionate share of their sum and are also enriched in large teacher--student gaps. As a lightweight intervention suggested by this analysis, we study Surprise-aware Reweighting (SuRe), a detached, bounded weighting rule that further amplifies this existing allocation. Across two Qwen3 student scales, SuRe improves several math metrics over vanilla OPD and shows no clear degradation on the selected out-of-domain benchmarks. Our primary contribution is therefore a gradient-level characterization of reverse-KL OPD trained with the K2 estimator, with SuRe as one empirical instantiation.

The majority of language model training builds on imitation learning. It covers pretraining, supervised fine-tuning, and affects the starting conditions for reinforcement learning from human feedback (RLHF). The simplicity and scalability of maximum likelihood estimation (MLE) for next token prediction led to its role as predominant paradigm. However, the broader field of imitation learning can more effectively utilize the sequential structure underlying autoregressive generation. We focus on investigating the inverse reinforcement learning (IRL) perspective to imitation, extracting rewards and directly optimizing sequences instead of individual token likelihoods and evaluate its benefits for fine-tuning large language models. We provide a new angle, reformulating inverse soft-Q-learning as a temporal difference regularized extension of MLE. This creates a principled connection between MLE and IRL and allows trading off added complexity with increased performance and diversity of generations in the supervised fine-tuning (SFT) setting. We find clear advantages for IRL-based imitation, in particular for retaining diversity while maximizing task performance, rendering IRL a strong alternative on fixed SFT datasets even without online data generation. Our analysis of IRL-extracted reward functions further indicates benefits for more robust reward functions via tighter integration of supervised and preference-based LLM post-training.

Research on Inverse Reinforcement Learning (IRL) from third-person videos has shown encouraging results on removing the need for manual reward design for robotic tasks. However, most prior works are still limited by training from a relatively restricted domain of videos. In this paper, we argue that the true potential of third-person IRL lies in increasing the diversity of videos for better scaling. To learn a reward function from diverse videos, we propose to perform graph abstraction on the videos followed by temporal matching in the graph space to measure the task progress. Our insight is that a task can be described by entity interactions that form a graph, and this graph abstraction can help remove irrelevant information such as textures, resulting in more robust reward functions. We evaluate our approach, GraphIRL, on cross-embodiment learning in X-MAGICAL and learning from human demonstrations for real-robot manipulation. We show significant improvements in robustness to diverse video demonstrations over previous approaches, and even achieve better results than manual reward design on a real robot pushing task. Videos are available at https://sateeshkumar21.github.io/GraphIRL .

Recovering causal relationships from data is an important problem. Using observational data, one can typically only recover causal graphs up to a Markov equivalence class and additional assumptions or interventional data are needed for complete recovery. In this work, under some standard assumptions, we study causal graph discovery via adaptive interventions with node-dependent interventional costs. For this setting, we show that no algorithm can achieve an approximation guarantee that is asymptotically better than linear in the number of vertices with respect to the verification number; a well-established benchmark for adaptive search algorithms. Motivated by this negative result, we define a new benchmark that captures the worst-case interventional cost for any search algorithm. Furthermore, with respect to this new benchmark, we provide adaptive search algorithms that achieve logarithmic approximations under various settings: atomic, bounded size interventions and generalized cost objectives.

Completely monotonic inverse marginal (CMIM) utilities, introduced in [MSZ24], constitute a tractable class of preferences that includes many of the most important utility functions used in mathematical finance, such as power and exponential utilities. In stochastically dominant markets, their Bernstein representation induces a hidden linear structure in the dual optimization problem that serves as the foundation for the present analysis. In this paper, we investigate the sensitivity of optimal investment with respect to perturbations of investor preferences within the CMIM class. Exploiting Bernstein's representation theorem, we show that, under stochastic dominance, affine perturbations of Bernstein measures induce an affine representation of the dual value function. As a result, the dependence of the optimization problem on preferences can be analyzed through a scalar budget equation, allowing us to prove analyticity of the associated Lagrange multiplier with respect to the perturbation parameter and to derive convergent analytic expansions of arbitrary order for the primal value function and the optimal terminal wealth, with explicit recursive formulas expressed through Bell polynomials.

Diffusion models have achieved remarkable success in image generation and editing tasks. Inversion within these models aims to recover the latent noise representation for a real or generated image, enabling reconstruction, editing, and other downstream tasks. However, to date, most inversion approaches suffer from an intrinsic trade-off between reconstruction accuracy and editing flexibility. This limitation arises from the difficulty of maintaining both semantic alignment and structural consistency during the inversion process. In this work, we introduce Dual-Conditional Inversion (DCI), a novel framework that jointly conditions on the source prompt and reference image to guide the inversion process. Specifically, DCI formulates the inversion process as a dual-condition fixed-point optimization problem, minimizing both the latent noise gap and the reconstruction error under the joint guidance. This design anchors the inversion trajectory in both semantic and visual space, leading to more accurate and editable latent representations. Our novel setup brings new understanding to the inversion process. Extensive experiments demonstrate that DCI achieves state-of-the-art performance across multiple editing tasks, significantly improving both reconstruction quality and editing precision. Furthermore, we also demonstrate that our method achieves strong results in reconstruction tasks, implying a degree of robustness and generalizability approaching the ultimate goal of the inversion process.

Even a current high-capability LLM can appear safer when shown a dangerous objective directly than when other agents transform and relay its direction. Using OpenAI's gpt-5.6-sol model alias, we test 25 pre-specified mirrored trade-off profiles. Direct exposure to an objective authorizing concealment, fabrication, and pressure produced advice net opposed to its target. After an Id and Censor transformed the same objective into affect and a constraint-rewritten, target-bearing intention, the user-facing Superego---which saw the preferred direction but not the raw objective, its manipulative clauses, or its source---produced advice net aligned with the target. This behavioral reverse shift is consistent with the model recognizing or distrusting the manipulative motive, although we do not identify its internal mechanism. The second result exposes a compositional safety gap: a current high-capability model can be used as the user-facing component of an automated, multi-stage workflow serving an explicitly manipulative objective. The workflow can keep the raw instruction, its manipulation-authorizing clauses, and its provenance outside the downstream model's context while preserving the objective's target direction. A user with endpoint-only access likewise cannot directly inspect those upstream messages including the objective.

A large class of inverse problems for PDEs are only well-defined as mappings from operators to functions. Existing operator learning frameworks map functions to functions and need to be modified to learn inverse maps from data. We propose a novel architecture termed Neural Inverse Operators (NIOs) to solve these PDE inverse problems. Motivated by the underlying mathematical structure, NIO is based on a suitable composition of DeepONets and FNOs to approximate mappings from operators to functions. A variety of experiments are presented to demonstrate that NIOs significantly outperform baselines and solve PDE inverse problems robustly, accurately and are several orders of magnitude faster than existing direct and PDE-constrained optimization methods.

We address the challenges of precise image inversion and disentangled image editing in the context of few-step diffusion models. We introduce an encoder based iterative inversion technique. The inversion network is conditioned on the input image and the reconstructed image from the previous step, allowing for correction of the next reconstruction towards the input image. We demonstrate that disentangled controls can be easily achieved in the few-step diffusion model by conditioning on an (automatically generated) detailed text prompt. To manipulate the inverted image, we freeze the noise maps and modify one attribute in the text prompt (either manually or via instruction based editing driven by an LLM), resulting in the generation of a new image similar to the input image with only one attribute changed. It can further control the editing strength and accept instructive text prompt. Our approach facilitates realistic text-guided image edits in real-time, requiring only 8 number of functional evaluations (NFEs) in inversion (one-time cost) and 4 NFEs per edit. Our method is not only fast, but also significantly outperforms state-of-the-art multi-step diffusion editing techniques.

Iterative generative modeling techniques, such as flow matching, provide powerful tools to model complex behaviors for effective offline reinforcement learning (RL). In this work, we propose a new off-policy RL algorithm that trains a flow policy based on prior data. Our idea starts from the "expanded" Markov decision process (MDP) framework, which treats individual flow refinement steps as separate actions in an MDP. To enable off-policy RL within this framework, we apply two techniques: we generate virtual on-policy trajectories (by "reversing" flows) to make this framework compatible with prior data, and we apply a bias-and-variance reduction technique to mitigate the curse of horizon in off-policy RL. We call the resulting algorithm Reversal Q-learning (RQL). RQL has several advantages over previous flow-based RL methods: it does not suffer from backpropagation through time, makes better use of the learned value function, and directly trains the full, expressive flow policy. Through our experiments on 50 challenging simulated robotic tasks, we show that RQL leads to the best average offline RL performance compared to state-of-the-art flow-based offline RL algorithms.

Text-guided diffusion models have revolutionized image generation and editing, offering exceptional realism and diversity. Specifically, in the context of diffusion-based editing, where a source image is edited according to a target prompt, the process commences by acquiring a noisy latent vector corresponding to the source image via the diffusion model. This vector is subsequently fed into separate source and target diffusion branches for editing. The accuracy of this inversion process significantly impacts the final editing outcome, influencing both essential content preservation of the source image and edit fidelity according to the target prompt. Prior inversion techniques aimed at finding a unified solution in both the source and target diffusion branches. However, our theoretical and empirical analyses reveal that disentangling these branches leads to a distinct separation of responsibilities for preserving essential content and ensuring edit fidelity. Building on this insight, we introduce "Direct Inversion," a novel technique achieving optimal performance of both branches with just three lines of code. To assess image editing performance, we present PIE-Bench, an editing benchmark with 700 images showcasing diverse scenes and editing types, accompanied by versatile annotations and comprehensive evaluation metrics. Compared to state-of-the-art optimization-based inversion techniques, our solution not only yields superior performance across 8 editing methods but also achieves nearly an order of speed-up.

Automated presentation generation remains a challenging task requiring coherent content creation, visual design, and audience-aware communication. This work proposes an OpenEnv-compatible reinforcement learning environment where LLM agents learn to research topics, plan content, and generate professional HTML slide presentations through tool use. We introduce a multi-component reward system combining structural validation, render quality assessment, LLM-based aesthetic scoring, content quality metrics, and an inverse specification reward that measures how faithfully generated slides convey their intended purpose. The inverse specification reward, an "inverse task" where an LLM attempts to recover the original specification from generated slides, provides a holistic quality signal. Our approach fine-tunes Qwen2.5-Coder-7B via GRPO, training only 0.5% of parameters on prompts derived from expert demonstrations collected using Claude Opus 4.6. Experiments on 48 diverse business briefs across six models demonstrate that our fine-tuned 7B model achieves 91.2% of Claude Opus 4.6's quality while improving 33.1% over the base model. The six-model comparison reveals that instruction adherence and tool-use compliance, rather than raw parameter count, determine agentic task performance. We contribute SlideRL, an open-source dataset of 288 multi-turn rollout trajectories across all six models: https://huggingface.co/datasets/KarthikRagunathAnandaKumar/sliderl-multi-turn-rollouts Code: https://github.com/pushing-the-frontier/slide-forge-llm

Inverse problems aim to determine parameters from observations, a crucial task in engineering and science. Lately, generative models, especially diffusion models, have gained popularity in this area for their ability to produce realistic solutions and their good mathematical properties. Despite their success, an important drawback of diffusion models is their sensitivity to the choice of variance schedule, which controls the dynamics of the diffusion process. Fine-tuning this schedule for specific applications is crucial but time-costly and does not guarantee an optimal result. We propose a novel approach for learning the schedule as part of the training process. Our method supports probabilistic conditioning on data, provides high-quality solutions, and is flexible, proving able to adapt to different applications with minimum overhead. This approach is tested in two unrelated inverse problems: super-resolution microscopy and quantitative phase imaging, yielding comparable or superior results to previous methods and fine-tuned diffusion models. We conclude that fine-tuning the schedule by experimentation should be avoided because it can be learned during training in a stable way that yields better results.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

Reinforcement learning fine-tuning has proven effective for steering generative diffusion models toward desired properties in image and molecular domains. Graph diffusion models have similarly been applied to combinatorial structure generation, including neural architecture search (NAS). However, neural architectures are directed acyclic graphs (DAGs) where edge direction encodes functional semantics such as data flow-information that existing graph diffusion methods, designed for undirected structures, discard. We propose Directed Graph Policy Optimization (DGPO), which extends reinforcement learning fine-tuning of discrete graph diffusion models to DAGs via topological node ordering and positional encoding. Validated on NAS-Bench-101 and NAS-Bench-201, DGPO matches the benchmark optimum on all three NAS-Bench-201 tasks (91.61%, 73.49%, 46.77%). The central finding is that the model learns transferable structural priors: pretrained on only 7% of the search space, it generates near-oracle architectures after fine-tuning, within 0.32 percentage points of the full-data model and extrapolating 7.3 percentage points beyond its training ceiling. Bidirectional control experiments confirm genuine reward-driven steering, with inverse optimization reaching near random-chance accuracy (9.5%). These results demonstrate that reinforcement learning-steered discrete diffusion, once extended to handle directionality, provides a controllable generative framework for directed combinatorial structures.

A dense, pretrained language model can be retrofitted with recurrent depth and learn an iterative latent transition that persists after outcome-only annealing. Qwen2.5-0.5B-Instruct is split into a Prelude, a weight-tied Recurrent Block, and a Coda, with an identity-preserving one-loop path and a re-entry bridge on later loops. At loop 1 the retrofit remains non-inferior to its base on a preregistered ARC battery. Three findings. First, the mechanism is a reusable procedure rather than terminal-answer lookup, and installs at two budgets: 6M trained parameters over frozen base weights and 180M full-block. With intermediate-step supervision, the model computes one task step per loop and persists when only final answers are graded. The adapter matched the full block overall (83.8% versus 84.0%), led through depth 11, and trailed beyond. Verbal fine-tuning reached 79-86% on controlled verbal renderings (zero-shot transfer was minimal), and adapter verbal training begun from the installed mechanism outpaced matched fresh training by 18.6 points, including on a held-out test set. Second, the operation extrapolates to roughly 1.5 times its supervised depth, holding 70% accuracy through depth 18. Third, a same-size scratchpad-trained model matched the recurrent model within its learned horizon but collapsed beyond it. The recurrent model won overall, 84% versus 72%, retained 53% versus 2.5% beyond depth 10, and answered 7.6 times faster. An iterative transformer can therefore perform deeper reasoning in latent space faster than comparable or larger models fine-tuned on the same task, in a system-level comparison. A second task, running the rule in reverse, exposed the limits: the inverse was learnable in isolation, but no continuation acquired it while preserving the installed mechanism and general capability, a catastrophic-interference boundary. Learned depth selection remains open.

We introduce Nemotron-Cascade 2, an open 30B MoE model with 3B activated parameters that delivers best-in-class reasoning and strong agentic capabilities. Despite its compact size, its mathematical and coding reasoning performance approaches that of frontier open models. It is the second open-weight LLM, after DeepSeekV3.2-Speciale-671B-A37B, to achieve Gold Medal-level performance in the 2025 International Mathematical Olympiad (IMO), the International Olympiad in Informatics (IOI), and the ICPC World Finals, demonstrating remarkably high intelligence density with 20x fewer parameters. In contrast to Nemotron-Cascade 1, the key technical advancements are as follows. After SFT on a meticulously curated dataset, we substantially expand Cascade RL to cover a much broader spectrum of reasoning and agentic domains. Furthermore, we introduce multi-domain on-policy distillation from the strongest intermediate teacher models for each domain throughout the Cascade RL process, allowing us to efficiently recover benchmark regressions and sustain strong performance gains along the way. We release the collection of model checkpoint and training data.

We consider an extension to the classic position auctions in which sponsored creatives can be added within AI generated content rather than shown in predefined slots. New challenges arise from the natural requirement that sponsored creatives should smoothly fit into the context. With the help of advanced LLM technologies, it becomes viable to accurately estimate the benefits of adding each individual sponsored creatives into each potential positions within the AI generated content by properly taking the context into account. Therefore, we assume one click-through rate estimation for each position-creative pair, rather than one uniform estimation for each sponsored creative across all positions in classic settings. As a result, the underlying optimization becomes a general matching problem, thus the substitution effects should be treated more carefully compared to standard position auction settings, where the slots are independent with each other. In this work, we formalize a concrete mathematical model of the extended position auction problem and study the welfare-maximization and revenue-maximization mechanism design problem. Formally, we consider two different user behavior models and solve the mechanism design problems therein respectively. For the Multinomial Logit (MNL) model, which is order-insensitive, we can efficiently implement the optimal mechanisms. For the cascade model, which is order-sensitive, we provide approximately optimal solutions.

We introduce Power Bundle Adjustment as an expansion type algorithm for solving large-scale bundle adjustment problems. It is based on the power series expansion of the inverse Schur complement and constitutes a new family of solvers that we call inverse expansion methods. We theoretically justify the use of power series and we prove the convergence of our approach. Using the real-world BAL dataset we show that the proposed solver challenges the state-of-the-art iterative methods and significantly accelerates the solution of the normal equation, even for reaching a very high accuracy. This easy-to-implement solver can also complement a recently presented distributed bundle adjustment framework. We demonstrate that employing the proposed Power Bundle Adjustment as a sub-problem solver significantly improves speed and accuracy of the distributed optimization.

We propose iterative inversion -- an algorithm for learning an inverse function without input-output pairs, but only with samples from the desired output distribution and access to the forward function. The key challenge is a distribution shift between the desired outputs and the outputs of an initial random guess, and we prove that iterative inversion can steer the learning correctly, under rather strict conditions on the function. We apply iterative inversion to learn control. Our input is a set of demonstrations of desired behavior, given as video embeddings of trajectories (without actions), and our method iteratively learns to imitate trajectories generated by the current policy, perturbed by random exploration noise. Our approach does not require rewards, and only employs supervised learning, which can be easily scaled to use state-of-the-art trajectory embedding techniques and policy representations. Indeed, with a VQ-VAE embedding, and a transformer-based policy, we demonstrate non-trivial continuous control on several tasks. Further, we report an improved performance on imitating diverse behaviors compared to reward based methods.

We investigate imbalanced regression with tabular data that have an imbalance ratio larger than 1,000 ("highly imbalanced"). Accurately estimating the target values of rare instances is important in applications such as forecasting the intensity of rare harmful Solar Energetic Particle (SEP) events. For regression, the MSE loss does not consider the correlation between predicted and actual values. Typical inverse importance functions allow only convex functions. Uniform sampling might yield mini-batches that do not have rare instances. We propose CISIR that incorporates correlation, Monotonically Decreasing Involution (MDI) importance, and stratified sampling. Based on five datasets, our experimental results indicate that CISIR can achieve lower error and higher correlation than some recent methods. Also, adding our correlation component to other recent methods can improve their performance. Lastly, MDI importance can outperform other importance functions. Our code can be found in https://github.com/Machine-Earning/CISIR.

When solving inverse problems, it is increasingly popular to use pre-trained diffusion models as plug-and-play priors. This framework can accommodate different forward models without re-training while preserving the generative capability of diffusion models. Despite their success in many imaging inverse problems, most existing methods rely on privileged information such as derivative, pseudo-inverse, or full knowledge about the forward model. This reliance poses a substantial limitation that restricts their use in a wide range of problems where such information is unavailable, such as in many scientific applications. To address this issue, we propose Ensemble Kalman Diffusion Guidance (EnKG) for diffusion models, a derivative-free approach that can solve inverse problems by only accessing forward model evaluations and a pre-trained diffusion model prior. We study the empirical effectiveness of our method across various inverse problems, including scientific settings such as inferring fluid flows and astronomical objects, which are highly non-linear inverse problems that often only permit black-box access to the forward model.

Large-scale video generation models are increasingly viewed as a promising path toward world models, yet their ability to capture causally coherent physical dynamics remains poorly understood. Existing evaluations largely emphasize visual quality, prompt adherence, or broad physical plausibility, leaving open whether a model can faithfully realize a complete causal cascade, in which an initiating event propagates through causally dependent interactions to a terminal outcome. We introduce CausalCascade, a simulator-grounded benchmark centered on 50 event-rich Blender scenes with structured event graphs, graph-grounded diagnostic VQA, three levels of future-event specification, and 2,832 controlled counterfactual variants, and use it to evaluate nine image-to-video models with complementary motion-, event-, and counterfactual-level diagnostics. Across the evaluated models, generated motion is more reliably localized spatially than realized with correct spatiotemporal evolution, while richer future-event specification improves event recovery but leaves physical realization limited. Counterfactual evaluation further reveals weak selective responsiveness to physical interventions, while most audited failures are foundational, arising at scene consistency or event occurrence. Together, these results position causal cascade generation as a process-level test of world modeling and highlight the need to jointly recover the intended future, faithfully realize its physical evolution, selectively respond to physical interventions, and maintain a coherent physical world over time. Code and dataset are available at https://github.com/SJTU-DeepDeltaLab/CausalCascade .

The availability of a wide range of large language models (LLMs) embedded in various agentic systems has significantly increased the potential of model selection strategies to improve the cost-performance tradeoff. Existing strategies involve either routing, where a single model is chosen per query, or cascading, which sequentially runs increasingly larger models until a satisfactory answer is found. However, current approaches face three key limitations: they (1) lack formal proofs of optimality, (2) fail to identify the conditions under which these strategies are most effective to improve the cost-performance tradeoff, and (3) are unable to combine both paradigms for further improvements. To address these issues, we first derive a novel optimal strategy for cascading and prove the optimality of an existing routing strategy. Further, we propose cascade routing, a unified framework that integrates routing and cascading into a theoretically optimal strategy. Through our analysis, we identify good quality estimators as the critical factor for the success of model selection paradigms. Finally, in our experiments, we show that cascade routing consistently outperforms the individual approaches by a large margin and we analyze quality estimators to determine when routing and/or cascading are useful paradigms for model selection.

This paper concludes a series of studies on the polyharmonic cascade, a deep machine learning architecture theoretically derived from indifference principles and the theory of random functions. A universal initialization procedure is proposed, based on symmetric constellations in the form of hyperoctahedra with a central point. This initialization not only ensures stable training of cascades with tens and hundreds of layers (up to 500 layers without skip connections), but also radically simplifies the computations. Scalability and robustness are demonstrated on MNIST (98.3% without convolutions or augmentations), HIGGS (AUC approximately 0.885 on 11M examples), and Epsilon (AUC approximately 0.963 with 2000 features). All linear algebra is reduced to 2D operations and is efficiently executed on GPUs. A public repository and an archived snapshot are provided for full reproducibility.

Recent text-guided diffusion models provide powerful image generation capabilities. Currently, a massive effort is given to enable the modification of these images using text only as means to offer intuitive and versatile editing. To edit a real image using these state-of-the-art tools, one must first invert the image with a meaningful text prompt into the pretrained model's domain. In this paper, we introduce an accurate inversion technique and thus facilitate an intuitive text-based modification of the image. Our proposed inversion consists of two novel key components: (i) Pivotal inversion for diffusion models. While current methods aim at mapping random noise samples to a single input image, we use a single pivotal noise vector for each timestamp and optimize around it. We demonstrate that a direct inversion is inadequate on its own, but does provide a good anchor for our optimization. (ii) NULL-text optimization, where we only modify the unconditional textual embedding that is used for classifier-free guidance, rather than the input text embedding. This allows for keeping both the model weights and the conditional embedding intact and hence enables applying prompt-based editing while avoiding the cumbersome tuning of the model's weights. Our Null-text inversion, based on the publicly available Stable Diffusion model, is extensively evaluated on a variety of images and prompt editing, showing high-fidelity editing of real images.

Diffusion models have achieved remarkable success in the domain of text-guided image generation and, more recently, in text-guided image editing. A commonly adopted strategy for editing real images involves inverting the diffusion process to obtain a noisy representation of the original image, which is then denoised to achieve the desired edits. However, current methods for diffusion inversion often struggle to produce edits that are both faithful to the specified text prompt and closely resemble the source image. To overcome these limitations, we introduce a novel and adaptable diffusion inversion technique for real image editing, which is grounded in a theoretical analysis of the role of eta in the DDIM sampling equation for enhanced editability. By designing a universal diffusion inversion method with a time- and region-dependent eta function, we enable flexible control over the editing extent. Through a comprehensive series of quantitative and qualitative assessments, involving a comparison with a broad array of recent methods, we demonstrate the superiority of our approach. Our method not only sets a new benchmark in the field but also significantly outperforms existing strategies.

Diffusion models gain increasing popularity for their generative capabilities. Recently, there have been surging needs to generate customized images by inverting diffusion models from exemplar images. However, existing inversion methods mainly focus on capturing object appearances. How to invert object relations, another important pillar in the visual world, remains unexplored. In this work, we propose ReVersion for the Relation Inversion task, which aims to learn a specific relation (represented as "relation prompt") from exemplar images. Specifically, we learn a relation prompt from a frozen pre-trained text-to-image diffusion model. The learned relation prompt can then be applied to generate relation-specific images with new objects, backgrounds, and styles. Our key insight is the "preposition prior" - real-world relation prompts can be sparsely activated upon a set of basis prepositional words. Specifically, we propose a novel relation-steering contrastive learning scheme to impose two critical properties of the relation prompt: 1) The relation prompt should capture the interaction between objects, enforced by the preposition prior. 2) The relation prompt should be disentangled away from object appearances. We further devise relation-focal importance sampling to emphasize high-level interactions over low-level appearances (e.g., texture, color). To comprehensively evaluate this new task, we contribute ReVersion Benchmark, which provides various exemplar images with diverse relations. Extensive experiments validate the superiority of our approach over existing methods across a wide range of visual relations.

Backdoor inversion, the process of finding a backdoor trigger inserted into a machine learning model, has become the pillar of many backdoor detection and defense methods. Previous works on backdoor inversion often recover the backdoor through an optimization process to flip a support set of clean images into the target class. However, it is rarely studied and understood how large this support set should be to recover a successful backdoor. In this work, we show that one can reliably recover the backdoor trigger with as few as a single image. Specifically, we propose the SmoothInv method, which first constructs a robust smoothed version of the backdoored classifier and then performs guided image synthesis towards the target class to reveal the backdoor pattern. SmoothInv requires neither an explicit modeling of the backdoor via a mask variable, nor any complex regularization schemes, which has become the standard practice in backdoor inversion methods. We perform both quantitaive and qualitative study on backdoored classifiers from previous published backdoor attacks. We demonstrate that compared to existing methods, SmoothInv is able to recover successful backdoors from single images, while maintaining high fidelity to the original backdoor. We also show how we identify the target backdoored class from the backdoored classifier. Last, we propose and analyze two countermeasures to our approach and show that SmoothInv remains robust in the face of an adaptive attacker. Our code is available at https://github.com/locuslab/smoothinv .

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

Recent text-to-image diffusion models have demonstrated remarkable generation of realistic facial images conditioned on textual prompts and human identities, enabling creating personalized facial imagery. However, existing prompt-based methods for removing or modifying identity-specific features rely either on the subject being well-represented in the pre-trained model or require model fine-tuning for specific identities. In this work, we analyze the identity generation process and introduce a reverse personalization framework for face anonymization. Our approach leverages conditional diffusion inversion, allowing direct manipulation of images without using text prompts. To generalize beyond subjects in the model's training data, we incorporate an identity-guided conditioning branch. Unlike prior anonymization methods, which lack control over facial attributes, our framework supports attribute-controllable anonymization. We demonstrate that our method achieves a state-of-the-art balance between identity removal, attribute preservation, and image quality. Source code and data are available at https://github.com/hanweikung/reverse-personalization .

Standard evaluation protocols reveal a counterintuitive phenomenon: on 7.7% of benchmark problems spanning five datasets, larger language models underperform smaller ones by 28.4 percentage points despite 10-100x more parameters. Through systematic evaluation of 31 models (0.5B-405B parameters) across 1,485 problems, we identify the mechanism as spontaneous scale-dependent verbosity that introduces errors through overelaboration. Causal intervention experiments demonstrate this reflects correctable prompt design rather than fundamental capability limitations. Constraining large models to produce brief responses improves accuracy by 26 percentage points and reduces performance gaps by up to two-thirds. Most critically, brevity constraints completely reverse performance hierarchies on mathematical reasoning and scientific knowledge benchmarks, with large models achieving 7.7-15.9 percentage point advantages over small models -- direct inversions of the original gaps. These reversals prove large models possess superior latent capabilities that universal prompting masks. We validate findings through three independent contamination tests and demonstrate inverse scaling operates continuously across the full parameter spectrum, with dataset-specific optimal scales ranging from 0.5B to 3.0B parameters. Our results establish that maximizing large model performance requires scale-aware prompt engineering rather than universal evaluation protocols, with immediate implications for deployment: prompt adaptation simultaneously improves accuracy and reduces computational costs.

Dataset Distillation aims to synthesize compact datasets that can approximate the training efficacy of large-scale real datasets, offering an efficient solution to the increasing computational demands of modern deep learning. Recently, diffusion-based dataset distillation methods have shown great promise by leveraging the strong generative capacity of diffusion models to produce diverse and structurally consistent samples. However, a fundamental goal misalignment persists: diffusion models are optimized for generative likelihood rather than discriminative utility, resulting in over-concentration in high-density regions and inadequate coverage of boundary samples crucial for classification. To address this issue, we propose two complementary strategies. Inversion-Matching (IM) introduces an inversion-guided fine-tuning process that aligns denoising trajectories with their inversion counterparts, broadening distributional coverage and enhancing diversity. Selective Subgroup Sampling(S^3) is a training-free sampling mechanism that improves inter-class separability by selecting synthetic subsets that are both representative and distinctive. Extensive experiments demonstrate that our approach significantly enhances the discriminative quality and generalization of distilled datasets, achieving state-of-the-art performance among diffusion-based methods.

Recent advances in image editing with diffusion models have achieved impressive results, offering fine-grained control over the generation process. However, these methods are computationally intensive because of their iterative nature. While distilled diffusion models enable faster inference, their editing capabilities remain limited, primarily because of poor inversion quality. High-fidelity inversion and reconstruction are essential for precise image editing, as they preserve the structural and semantic integrity of the source image. In this work, we propose a novel framework that enhances image inversion using consistency models, enabling high-quality editing in just four steps. Our method introduces a cycle-consistency optimization strategy that significantly improves reconstruction accuracy and enables a controllable trade-off between editability and content preservation. We achieve state-of-the-art performance across various image editing tasks and datasets, demonstrating that our method matches or surpasses full-step diffusion models while being substantially more efficient. The code of our method is available on GitHub at https://github.com/ControlGenAI/Inverse-and-Edit.

Natural agents can effectively learn from multiple data sources that differ in size, quality, and types of measurements. We study this heterogeneity in the context of offline reinforcement learning (RL) by introducing a new, practically motivated semi-supervised setting. Here, an agent has access to two sets of trajectories: labelled trajectories containing state, action and reward triplets at every timestep, along with unlabelled trajectories that contain only state and reward information. For this setting, we develop and study a simple meta-algorithmic pipeline that learns an inverse dynamics model on the labelled data to obtain proxy-labels for the unlabelled data, followed by the use of any offline RL algorithm on the true and proxy-labelled trajectories. Empirically, we find this simple pipeline to be highly successful -- on several D4RL benchmarks~fu2020d4rl, certain offline RL algorithms can match the performance of variants trained on a fully labelled dataset even when we label only 10\% of trajectories which are highly suboptimal. To strengthen our understanding, we perform a large-scale controlled empirical study investigating the interplay of data-centric properties of the labelled and unlabelled datasets, with algorithmic design choices (e.g., choice of inverse dynamics, offline RL algorithm) to identify general trends and best practices for training RL agents on semi-supervised offline datasets.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may ask whether composing the inversions of the component processes gives the same belief update as the inversion of the whole. We answer this question affirmatively, showing that the relevant compositional structure is precisely that of the lens pattern, and that we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a corresponding fibred category. We define a general notion of (mixed) Bayesian lens, and discuss the (un)lawfulness of these lenses when their contravariant components are exact Bayesian inversions. We prove our main result both abstractly and concretely, for both discrete and continuous states, taking care to illustrate the common structures.

We address the problem of synthesizing multi-view optical illusions: images that change appearance upon a transformation, such as a flip or rotation. We propose a simple, zero-shot method for obtaining these illusions from off-the-shelf text-to-image diffusion models. During the reverse diffusion process, we estimate the noise from different views of a noisy image, and then combine these noise estimates together and denoise the image. A theoretical analysis suggests that this method works precisely for views that can be written as orthogonal transformations, of which permutations are a subset. This leads to the idea of a visual anagram--an image that changes appearance under some rearrangement of pixels. This includes rotations and flips, but also more exotic pixel permutations such as a jigsaw rearrangement. Our approach also naturally extends to illusions with more than two views. We provide both qualitative and quantitative results demonstrating the effectiveness and flexibility of our method. Please see our project webpage for additional visualizations and results: https://dangeng.github.io/visual_anagrams/

Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by "exploding inverse" in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding inverse and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement.

Training LLM agents in multi-turn environments with sparse rewards, where completing a single task requires 30+ turns of interaction within an episode, presents a fundamental challenge for reinforcement learning. We identify a critical failure mode unique to this setting: the exploration-exploitation cascade failure. This cascade begins with early-stage policy premature convergence, where sparse feedback causes agents to commit to flawed, low-entropy strategies. Subsequently, agents enter late-stage policy collapse, where conventional entropy regularization becomes counterproductive, promoting chaotic exploration that destabilizes training. We propose Entropy-regularized Policy Optimization (EPO), a general framework that breaks this failure cycle through three synergistic mechanisms: (1) adopting entropy regularization in multi-turn settings to enhance exploration, (2) an entropy smoothing regularizer that bounds policy entropy within historical averages to prevent abrupt fluctuations, and (3) adaptive phase-based weighting that balances exploration and exploitation across training. Our analysis justifies that EPO guarantees monotonically decreasing entropy variance while maintaining convergence. EPO achieves up to 152% performance improvement on ScienceWorld and up to 19.8% on ALFWorld. Our work demonstrates that multi-turn sparse-reward settings require fundamentally different entropy control than traditional RL, with broad implications for LLM agent training.

This paper presents a deep machine learning architecture, the "polyharmonic cascade" -- a sequence of packages of polyharmonic splines, where each layer is rigorously derived from the theory of random functions and the principles of indifference. This makes it possible to approximate nonlinear functions of arbitrary complexity while preserving global smoothness and a probabilistic interpretation. For the polyharmonic cascade, a training method alternative to gradient descent is proposed: instead of directly optimizing the coefficients, one solves a single global linear system on each batch with respect to the function values at fixed "constellations" of nodes. This yields synchronized updates of all layers, preserves the probabilistic interpretation of individual layers and theoretical consistency with the original model, and scales well: all computations reduce to 2D matrix operations efficiently executed on a GPU. Fast learning without overfitting on MNIST is demonstrated.

Providing effective treatment and making informed clinical decisions are essential goals of modern medicine and clinical care. We are interested in simulating disease dynamics for clinical decision-making, leveraging recent advances in large generative models. To this end, we introduce the Medical World Model (MeWM), the first world model in medicine that visually predicts future disease states based on clinical decisions. MeWM comprises (i) vision-language models to serve as policy models, and (ii) tumor generative models as dynamics models. The policy model generates action plans, such as clinical treatments, while the dynamics model simulates tumor progression or regression under given treatment conditions. Building on this, we propose the inverse dynamics model that applies survival analysis to the simulated post-treatment tumor, enabling the evaluation of treatment efficacy and the selection of the optimal clinical action plan. As a result, the proposed MeWM simulates disease dynamics by synthesizing post-treatment tumors, with state-of-the-art specificity in Turing tests evaluated by radiologists. Simultaneously, its inverse dynamics model outperforms medical-specialized GPTs in optimizing individualized treatment protocols across all metrics. Notably, MeWM improves clinical decision-making for interventional physicians, boosting F1-score in selecting the optimal TACE protocol by 13%, paving the way for future integration of medical world models as the second readers.

Arditi et al. (2024) has shown that refusal in safety fine-tuned chat models is mediated by a single linear direction in the residual stream, recoverable by a difference-in-means (DiM) of harmful and harmless activations. We compare DiM-based interventions (activation addition and directional ablation) with two interventions derived from Iterative Nullspace Projection (INLP) -- nullspace projection and counterfactual flipping -- on five open-weight chat models, asking whether INLP can match DiM at steering refusal and whether its richer parameterisation yields more tweakable interventions. INLP counterfactual flipping is competitive with DiM directional ablation on refusal suppression, while nullspace projection is consistently weaker. Restricting INLP to the leading directions of the extracted subspace preserves most of the suppression effect at near-baseline perplexity, giving a tunable capability. Geometrically, the two INLP interventions land in qualitatively different regions of activation space: nullspace projection collapses transformed activations between the harmful and harmless clusters, while counterfactual flipping moves them into the opposite cluster, suggesting that the model encodes the absence of a concept differently from its opposite -- an intriguing distinction that warrants further investigation in future work.

Deep generative models based on neural differential equations have quickly become the state-of-the-art for numerous generation tasks across many different applications. These models rely on ODE/SDE solvers which integrate from a prior distribution to the data distribution. In many applications it is highly desirable to then integrate in the other direction. The standard solvers, however, accumulate discretization errors which don't align with the forward trajectory, thereby prohibiting an exact inversion. In applications where the precision of the generative model is paramount this inaccuracy in inversion is often unacceptable. Current approaches to solving the inversion of these models results in significant downstream issues with poor stability and low-order of convergence; moreover, they are strictly limited to the ODE domain. In this work, we propose a new family of reversible exponential (stochastic) Runge-Kutta solvers which we refer to as Rex developed by an application of Lawson methods to convert any explicit (stochastic) Runge-Kutta scheme into a reversible one. In addition to a rigorous theoretical analysis of the proposed solvers, we also empirically demonstrate the utility of Rex on improving the sampling of Boltzmann distributions with flow models, and improving image generation and editing capabilities with diffusion models.

Recent works have revealed that infinitely-wide feed-forward or recurrent neural networks of any architecture correspond to Gaussian processes referred to as Neural Network Gaussian Processes (NNGPs). While these works have extended the class of neural networks converging to Gaussian processes significantly, however, there has been little focus on broadening the class of stochastic processes that such neural networks converge to. In this work, inspired by the scale mixture of Gaussian random variables, we propose the scale mixture of NNGPs for which we introduce a prior distribution on the scale of the last-layer parameters. We show that simply introducing a scale prior on the last-layer parameters can turn infinitely-wide neural networks of any architecture into a richer class of stochastic processes. With certain scale priors, we obtain heavy-tailed stochastic processes, and in the case of inverse gamma priors, we recover Student's t processes. We further analyze the distributions of the neural networks initialized with our prior setting and trained with gradient descents and obtain similar results as for NNGPs. We present a practical posterior-inference algorithm for the scale mixture of NNGPs and empirically demonstrate its usefulness on regression and classification tasks. In particular, we show that in both tasks, the heavy-tailed stochastic processes obtained from our framework are robust to out-of-distribution data.

Reasoning in large language models is typically trained via supervised fine-tuning (SFT) on expert traces, often framed as knowledge distillation, or reinforcement learning (RL) with outcome-based verifiable rewards. However, SFT focuses on imitation rather than optimisation, while outcome-based RL requires a well-defined reward function. We propose an inverse reinforcement learning (IRL) framework that learns (partially) dense token-level reasoning reward models directly from expert demonstrations. We show that this learned reward serves a dual purpose: (1) as a dense training signal that optimises policies to reason more effectively, outperforming SFT baselines on GSM8K (79\% vs. 56\%) and MedReason (74\% vs. 65\%); and (2) as an inference-time assistant that improves performance via reward-guided reranking, yielding gains of up to 12 percentage points on Llama3 architectures. Furthermore, our dense rewards provide interpretable, step-wise diagnostics that can indicate the location of logical errors. This work proposes a process-level reasoning learning framework from data, bridging the gap between imitation and reinforcement learning for reasoning.

In this paper, we develop an approximation scheme for solving bilevel programs with equilibrium constraints, which are generally difficult to solve. Among other things, calculating the first-order derivative in such a problem requires differentiation across the hierarchy, which is computationally intensive, if not prohibitive. To bypass the hierarchy, we propose to bound such bilevel programs, equivalent to multiple-followers Stackelberg games, with two new hierarchy-free problems: a T-step Cournot game and a T-step monopoly model. Since they are standard equilibrium or optimization problems, both can be efficiently solved via first-order methods. Importantly, we show that the bounds provided by these problems -- the upper bound by the T-step Cournot game and the lower bound by the T-step monopoly model -- can be made arbitrarily tight by increasing the step parameter T for a wide range of problems. We prove that a small T usually suffices under appropriate conditions to reach an approximation acceptable for most practical purposes. Eventually, the analytical insights are highlighted through numerical examples.

We consider the inverse problem of reconstructing the spatial layout of a place, a home floorplan for example, from a user`s movements inside that layout. Direct inversion is ill-posed since many floorplans can explain the same movement trajectories. We adopt a diffusion-based posterior sampler to generate layouts consistent with the measurements. While active research is in progress on generative inverse solvers, we find that the forward operator in our problem poses new challenges. The path-planning process inside a floorplan is a non-invertible, non-differentiable function, and causes instability while optimizing using the likelihood score. We break-away from existing approaches and reformulate the likelihood score in a smoother embedding space. The embedding space is trained with a contrastive loss which brings compatible floorplans and trajectories close to each other, while pushing mismatched pairs far apart. We show that a surrogate form of the likelihood score in this embedding space is a valid approximation of the true likelihood score, making it possible to steer the denoising process towards the posterior. Across extensive experiments, our model CoGuide produces more consistent floorplans from trajectories, and is more robust than differentiable-planner baselines and guided-diffusion methods.

Solving ill-posed inverse problems requires careful formulation of prior beliefs over the signals of interest and an accurate description of their manifestation into noisy measurements. Handcrafted signal priors based on e.g. sparsity are increasingly replaced by data-driven deep generative models, and several groups have recently shown that state-of-the-art score-based diffusion models yield particularly strong performance and flexibility. In this paper, we show that the powerful paradigm of posterior sampling with diffusion models can be extended to include rich, structured, noise models. To that end, we propose a joint conditional reverse diffusion process with learned scores for the noise and signal-generating distribution. We demonstrate strong performance gains across various inverse problems with structured noise, outperforming competitive baselines that use normalizing flows and adversarial networks. This opens up new opportunities and relevant practical applications of diffusion modeling for inverse problems in the context of non-Gaussian measurement models.

Off-policy learning (OPL) aims at finding improved policies from logged bandit data, often by minimizing the inverse propensity scoring (IPS) estimator of the risk. In this work, we investigate a smooth regularization for IPS, for which we derive a two-sided PAC-Bayes generalization bound. The bound is tractable, scalable, interpretable and provides learning certificates. In particular, it is also valid for standard IPS without making the assumption that the importance weights are bounded. We demonstrate the relevance of our approach and its favorable performance through a set of learning tasks. Since our bound holds for standard IPS, we are able to provide insight into when regularizing IPS is useful. Namely, we identify cases where regularization might not be needed. This goes against the belief that, in practice, clipped IPS often enjoys favorable performance than standard IPS in OPL.

In a previous paper it was shown that a machine learning regression problem can be solved within the framework of random function theory, with the optimal kernel analytically derived from symmetry and indifference principles and coinciding with a polyharmonic spline. However, a direct application of that solution is limited by O(N^3) computational cost and by a breakdown of the original theoretical assumptions when the input space has excessive dimensionality. This paper proposes a cascade architecture built from packages of polyharmonic splines that simultaneously addresses scalability and is theoretically justified for problems with unknown intrinsic low dimensionality. Efficient matrix procedures are presented for forward computation and end-to-end differentiation through the cascade.

We develop a discipline-agnostic emergence calculus that treats theories as fixed points of idempotent operators acting on descriptions. We show that, once processes are composable but access to the underlying system is mediated by a bounded observational interface, a canonical toolkit of six closure-changing primitives (P1--P6) is unavoidable. The framework unifies order-theoretic closure operators with dynamics-induced endomaps E_{τ,f} built from a Markov kernel, a coarse-graining lens, and a time scale τ. We introduce a computable total-variation idempotence defect for E_{τ,f}; small retention error implies approximate idempotence and yields stable "objects" packaged at the chosen τ within a fixed lens. For directionality, we define an arrow-of-time functional as the path-space KL divergence between forward and time-reversed trajectories and prove it is monotone under coarse-graining (data processing); we also formalize a protocol-trap audit showing that protocol holonomy alone cannot sustain asymmetry without a genuine affinity in the lifted dynamics. Finally, we prove a finite forcing-style counting lemma: relative to a partition-based theory, definable predicate extensions are exponentially rare, giving a clean anti-saturation mechanism for strict ladder climbing.

Graph neural networks are commonly described through family-specific equations whose notation obscures shared computations and structural differences. We introduce a common layer equation that represents covered architectures through seven components: an update domain, channel set, propagation bank, per-channel message maps, channel-fusion operator, ego/residual map, and update map. The central factorization separates where information moves, encoded by the propagation bank, from what moves, encoded by the message maps. Function-valued fillings extend the same equation across local message passing, attention, spectral filtering, global communication, relation-specific channels, higher-order domains, and geometric messages. We make this unification explicit and checkable through worked reductions of canonical layers and component assignments spanning seven nonexclusive architectural families. A fixed slot discipline assigns operations by computational role and defines the framework's coverage boundary. The decomposition also yields component-level theoretical insights: under endpoint-local messages and node-local updates, operator support bounds one-layer dependencies, and one-layer global mixing requires a full effective operator row under the stated hypotheses. The resulting framework organizes more than 200 architectures in a common design space, enables component-wise comparison and generation of structurally consistent architectures, and connects propagation choices to oversmoothing, oversquashing, heterophily, and expressivity. It further exposes the empirical inverse problem of mapping measurable graph and task properties to validated component choices.

Cascades are a classical strategy to enable inference cost to vary adaptively across samples, wherein a sequence of classifiers are invoked in turn. A deferral rule determines whether to invoke the next classifier in the sequence, or to terminate prediction. One simple deferral rule employs the confidence of the current classifier, e.g., based on the maximum predicted softmax probability. Despite being oblivious to the structure of the cascade -- e.g., not modelling the errors of downstream models -- such confidence-based deferral often works remarkably well in practice. In this paper, we seek to better understand the conditions under which confidence-based deferral may fail, and when alternate deferral strategies can perform better. We first present a theoretical characterisation of the optimal deferral rule, which precisely characterises settings under which confidence-based deferral may suffer. We then study post-hoc deferral mechanisms, and demonstrate they can significantly improve upon confidence-based deferral in settings where (i) downstream models are specialists that only work well on a subset of inputs, (ii) samples are subject to label noise, and (iii) there is distribution shift between the train and test set.

The Brownian sphere is a random metric space, homeomorphic to the two-dimensional sphere, which arises as the universal scaling limit of many types of random planar maps. The direct construction of the Brownian sphere is via a continuous analogue of the Cori--Vauquelin--Schaeffer (CVS) bijection. The CVS bijection maps labeled trees to planar maps, and the continuous version maps Aldous' continuum random tree with Brownian labels (the Brownian snake) to the Brownian sphere. In this work, we describe the inverse of the continuous CVS bijection, by constructing the Brownian snake as a measurable function of the Brownian sphere. Special care is needed to work with the orientation of the Brownian sphere.

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance via projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the continuous ideal gradients. Motivated by this analysis we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.

Score-based diffusion models learn to reverse a stochastic differential equation that maps data to noise. However, for complex tasks, numerical error can compound and result in highly unnatural samples. Previous work mitigates this drift with thresholding, which projects to the natural data domain (such as pixel space for images) after each diffusion step, but this leads to a mismatch between the training and generative processes. To incorporate data constraints in a principled manner, we present Reflected Diffusion Models, which instead reverse a reflected stochastic differential equation evolving on the support of the data. Our approach learns the perturbed score function through a generalized score matching loss and extends key components of standard diffusion models including diffusion guidance, likelihood-based training, and ODE sampling. We also bridge the theoretical gap with thresholding: such schemes are just discretizations of reflected SDEs. On standard image benchmarks, our method is competitive with or surpasses the state of the art without architectural modifications and, for classifier-free guidance, our approach enables fast exact sampling with ODEs and produces more faithful samples under high guidance weight.