The trade-off between expressiveness and interpretability remains a core challenge when building human-centric models for classification and decision-making. While symbolic rules offer interpretability, they often lack expressiveness, whereas neural networks excel in performance but are known for being black boxes. This paper shows a combination of Large Language Models (LLMs) and symbolic programs can bridge this gap. In the proposed LLM-based Symbolic Programs (LSPs), the pretrained LLM with natural language prompts provides a massive set of interpretable modules that can transform raw input into natural language concepts. Symbolic programs then integrate these modules into interpretable decision rules. To train LSPs, we develop a divide-and-conquer approach to incrementally build the program from scratch, where the learning process of each step is guided by LLMs. To evaluate the effectiveness of LSPs in extracting interpretable and accurate knowledge from data, we introduce IL-Bench, a collection of diverse tasks, including both synthetic and real-world scenarios across different modalities. Empirical results demonstrate LSP's superior performance compared to traditional neurosymbolic programs and vanilla automatic prompt tuning methods. Moreover, as the knowledge learned by LSP is a combination of natural language descriptions and symbolic rules, it is easily transferable to humans (interpretable), and other LLMs, and generalizes well to out-of-distribution samples. Our code and benchmark will be released for future research.
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Reinforcement Learning · Batch/Offline
In safe offline reinforcement learning, the objective is to develop a policy that maximizes cumulative rewards while strictly adhering to safety constraints, utilizing only offline data. Traditional methods often face difficulties in balancing these constraints, leading to either diminished performance or increased safety risks. We address these issues with a novel approach that begins by learning a conservatively safe policy through the use of Conditional Variational Autoencoders, which model the latent safety constraints. Subsequently, we frame this as a Constrained Reward-Return Maximization problem, wherein the policy aims to optimize rewards while complying with the inferred latent safety constraints. This is achieved by training an encoder with a reward-Advantage Weighted Regression objective within the latent constraint space. Our methodology is supported by theoretical analysis, including bounds on policy performance and sample complexity. Extensive empirical evaluation on benchmark datasets, including challenging autonomous driving scenarios, demonstrates that our approach not only maintains safety compliance but also excels in cumulative reward optimization, surpassing existing methods. Additional visualizations provide further insights into the effectiveness and underlying mechanisms of our approach.
Applications · Everything Else
Sound content creation, essential for multimedia works such as video games and films, often involves extensive trial-and-error, enabling creators to semantically reflect their artistic ideas and inspirations, which evolve throughout the creation process, into the sound.Recent high-quality diffusion-based Text-to-Sound (T2S) generative models provide valuable tools for creators. However, these models often suffer from slow inference speeds, imposing an undesirable burden that hinders the trial-and-error process.While existing T2S distillation models address this limitation through $1$-step generation, the sample quality of $1$-step generation remains insufficient for production use.Additionally, while multi-step sampling in those distillation models improves sample quality itself, the semantic content changes due to their lack of deterministic sampling capabilities.Thus, developing a T2S generative model that allows creators to efficiently conduct trial-and-error while producing high-quality sound remains a key challenge.To address these issues, we introduce Sound Consistency Trajectory Models (SoundCTM), which allow flexible transitions between high-quality $1$-step sound generation and superior sound quality through multi-step deterministic sampling. This allows creators to efficiently conduct trial-and-error with $1$-step generation to semantically align samples with their intention, and subsequently refine sample quality with preserving semantic content through deterministic multi-step sampling.To develop SoundCTM, we reframe the CTM training framework, originally proposed in computer vision, and introduce a novel feature distance using the teacher network for a distillation loss. Additionally, while distilling classifier-free guided trajectories, we introduce a $\nu$-sampling, a new algorithm that offers another source of quality improvement. For the $\nu$-sampling, we simultaneously train both conditional and unconditional student models.For production-level generation, we scale up our model to 1B trainable parameters, making SoundCTM-DiT-1B the first large-scale distillation model in the sound community to achieve both promising high-quality $1$-step and multi-step full-band (44.1kHz) generation.Audio samples are available at \url{https://anonymus-soundctm.github.io/soundctm_iclr/}.
Deep Learning · Generative Models and Autoencoders
We formulate a hierarchical rectified flow to model data distributions. It hierarchically couples multiple ordinary differential equations (ODEs) and defines a time-differentiable stochastic process that generates a data distribution from a known source distribution. Each ODE resembles the ODE that is solved in a classic rectified flow, but differs in its domain, i.e., location, velocity, acceleration, etc. Unlike the classic rectified flow formulation, which formulates a single ODE in the location domain and only captures the expected velocity field (sufficient to capture a multi-modal data distribution), the hierarchical rectified flow formulation models the multi-modal random velocity field, acceleration field, etc., in their entirety. This more faithful modeling of the random velocity field enables integration paths to intersect when the underlying ODE is solved during data generation. Intersecting paths in turn lead to integration trajectories that are more straight than those obtained in the classic rectified flow formulation, where integration paths cannot intersect. This leads to modeling of data distributions with fewer neural function evaluations. We empirically verify this on synthetic 1D and 2D data as well as MNIST, CIFAR-10, and ImageNet-32 data. Our code is available at: https://riccizz.github.io/HRF/.
Deep Learning · Generative Models and Autoencoders
Diffusion and flow matching models have recently been used to solve various linear inverse problems in image restoration, such as super-resolution and inpainting. Using a pre-trained diffusion or flow-matching model as a prior, most existing methods modify the reverse-time sampling process by incorporating the likelihood information from the measurement. However, they struggle in challenging scenarios, such as high measurement noise or severe ill-posedness. In this paper, we propose Flow with Interpolant Guidance (FIG), an algorithm where reverse-time sampling is efficiently guided with measurement interpolants through theoretically justified schemes. Experimentally, we demonstrate that FIG efficiently produces highly competitive results on a variety of linear image reconstruction tasks on natural image datasets, especially for challenging tasks. Our code is available at: https://riccizz.github.io/FIG/.
Applications · Robotics
Public urban spaces such as streetscapes and plazas serve residents and accommodate social life in all its vibrant variations. Recent advances in robotics and embodied AI make public urban spaces no longer exclusive to humans. Food delivery bots and electric wheelchairs have started sharing sidewalks with pedestrians, while robot dogs and humanoids have recently emerged in the street. **Micromobility** enabled by AI for short-distance travel in public urban spaces plays a crucial component in future transportation systems. It is essential to ensure the generalizability and safety of AI models used for maneuvering mobile machines. In this work, we present **MetaUrban**, a *compositional* simulation platform for the AI-driven urban micromobility research. MetaUrban can construct an *infinite* number of interactive urban scenes from compositional elements, covering a vast array of ground plans, object placements, pedestrians, vulnerable road users, and other mobile agents' appearances and dynamics. We design point navigation and social navigation tasks as the pilot study using MetaUrban for urban micromobility research and establish various baselines of Reinforcement Learning and Imitation Learning. We conduct extensive evaluation across mobile machines, demonstrating that heterogeneous mechanical structures significantly influence the learning and execution of AI policies. We perform a thorough ablation study, showing that the compositional nature of the simulated environments can substantially improve the generalizability and safety of the trained mobile agents. MetaUrban will be made publicly available to provide research opportunities and foster safe and trustworthy embodied AI and micromobility in cities. The code and data have been released.
Out-of-Domain (OOD) generalization is the ability of a model trained on one or more domains to generalize to unseen domains. In the ImageNet era of computer vision, evaluation sets for measuring a model's OOD performance were designed to be strictly OOD with respect to style. However, the emergence of foundation models and expansive web-scale datasets has obfuscated this evaluation process, as datasets cover a broad range of domains and risk test domain contamination. In search of the forgotten domain generalization, we create large-scale datasets subsampled from LAION---LAION-Natural and LAION-Rendition---that are strictly OOD to corresponding ImageNet and DomainNet test sets in terms of style. Training CLIP models on these datasets reveals that a significant portion of their performance is explained by in-domain examples. This indicates that the OOD generalization challenges from the ImageNet era still prevail and that training on web-scale data merely creates the illusion of OOD generalization. Furthermore, through a systematic exploration of combining natural and rendition datasets in varying proportions, we identify optimal mixing ratios for model generalization across these domains. Our datasets and results re-enable meaningful assessment of OOD robustness at scale---a crucial prerequisite for improving model robustness.
Deep Learning · Generative Models and Autoencoders
Understanding and modeling pedestrian movements in the real world is crucial for applications like motion forecasting and scene simulation. Many factors influence pedestrian movements, such as scene context, individual characteristics, and goals, which are often ignored by the existing human generation methods. Web videos contain natural pedestrian behavior and rich motion context, but annotating them with pre-trained predictors leads to noisy labels. In this work, we propose learning diverse pedestrian movements from web videos. We first curate a large-scale dataset called CityWalkers that captures diverse real-world pedestrian movements in urban scenes. Then, based on CityWalkers, we propose a generative model called PedGen for diverse pedestrian movement generation. PedGen introduces automatic label filtering to remove the low-quality labels and a mask embedding to train with partial labels. It also contains a novel context encoder that lifts the 2D scene context to 3D and can incorporate various context factors in generating realistic pedestrian movements in urban scenes. Experiments show that PedGen outperforms existing baseline methods for pedestrian movement generation by learning from noisy labels and incorporating the context factors. In addition, PedGen achieves zero-shot generalization in both real-world and simulated environments. The code, model, and data are available at https://genforce.github.io/PedGen/.
Supervised learning has become a cornerstone of modern machine learning, yet a comprehensive theory explaining its effectiveness remains elusive. Empirical phenomena, such as neural analogy-making and the linear representation hypothesis, suggest that supervised models can learn interpretable factors of variation in a linear fashion. Recent advances in self-supervised learning, particularly nonlinear Independent Component Analysis, have shown that these methods can recover latent structures by inverting the data generating process. We extend these identifiability results to parametric instance discrimination, then show how insights transfer to the ubiquitous setting of supervised learning with cross-entropy minimization. We prove that even in standard classification tasks, models learn representations of ground-truth factors of variation up to a linear transformation under a certain DGP. We corroborate our theoretical contribution with a series of empirical studies. First, using simulated data matching our theoretical assumptions, we demonstrate successful disentanglement of latent factors. Second, we show that on DisLib, a widely-used disentanglement benchmark, simple classification tasks recover latent structures up to linear transformations. Finally, we reveal that models trained on ImageNet encode representations that permit linear decoding of proxy factors of variation.Together, our theoretical findings and experiments offer a compelling explanation for recent observations of linear representations, such as superposition in neural networks. This work takes a significant step toward a cohesive theory that accounts for the unreasonable effectiveness of supervised learning.
In this work, we investigate a typical scenario in code generation where a developer edits existing code in real time and requests a code assistant, e.g., a large language model, to re-predict the next token or next line on the fly. Naively, the LLM needs to re-encode the entire KV cache to provide an accurate prediction. However, this process is computationally expensive, especially when the sequence length is long. Simply encoding the edited subsequence and integrating it to the original KV cache meets the temporal confusion problem, leading to significantly worse performance. We address this efficiency and accuracy trade-off by introducing $\underline{\textbf{P}\text{ositional}\ \textbf{I}\text{ntegrity}\ \textbf{E}\text{ncoding}}$ (PIE). Building upon the rotary positional encoding, PIE first removes the rotary matrices in the Key cache that introduce temporal confusion and then reapplies the correct rotary matrices. This process ensures that positional relationships between tokens are correct and requires only a single round of matrix multiplication. We validate the effectiveness of PIE through extensive experiments on the RepoBench-C-8k dataset, utilizing DeepSeek-Coder models with 1.3B, 6.7B, and 33B parameters. Our evaluation includes three real-world coding tasks: code insertion, code deletion, and multi-place code editing. Results demonstrate that PIE reduces computational overhead by over 85% compared to the standard full recomputation approach across all model sizes and tasks while well approximating the model performance.
Deep Learning · Self-Supervised Learning
Supervised learning has become a cornerstone of modern machine learning, yet a comprehensive theory explaining its effectiveness remains elusive. Empirical phenomena, such as neural analogy-making and the linear representation hypothesis, suggest that supervised models can learn interpretable factors of variation in a linear fashion. Recent advances in self-supervised learning, particularly nonlinear Independent Component Analysis, have shown that these methods can recover latent structures by inverting the data generating process. We extend these identifiability results to parametric instance discrimination, then show how insights transfer to the ubiquitous setting of supervised learning with cross-entropy minimization. We prove that even in standard classification tasks, models learn representations of ground-truth factors of variation up to a linear transformation under a certain DGP. We corroborate our theoretical contribution with a series of empirical studies. First, using simulated data matching our theoretical assumptions, we demonstrate successful disentanglement of latent factors. Second, we show that on DisLib, a widely-used disentanglement benchmark, simple classification tasks recover latent structures up to linear transformations. Finally, we reveal that models trained on ImageNet encode representations that permit linear decoding of proxy factors of variation.Together, our theoretical findings and experiments offer a compelling explanation for recent observations of linear representations, such as superposition in neural networks. This work takes a significant step toward a cohesive theory that accounts for the unreasonable effectiveness of supervised learning.
Deep Learning · Other Representation Learning
Learning disentangled representations of concepts and re-composing them in unseen ways is crucial for generalizing to out-of-domain situations. However, the underlying properties of concepts that enable such disentanglement and compositional generalization remain poorly understood. In this work, we propose the principle of interaction asymmetry which states: "Parts of the same concept have more complex interactions than parts of different concepts". We formalize this via block diagonality conditions on the $(n+1)$th order derivatives of the generator mapping concepts to observed data, where different orders of "complexity" correspond to different $n$. Using this formalism, we prove that interaction asymmetry enables both disentanglement and compositional generalization. Our results unify recent theoretical results for learning concepts of objects, which we show are recovered as special cases with $n=0$ or $1$. We provide results for up to $n=2$, thus extending these prior works to more flexible generator functions, and conjecture that the same proof strategies generalize to larger $n$. Practically, our theory suggests that, to disentangle concepts, an autoencoder should penalize its latent capacity and the interactions between concepts during decoding. We propose an implementation of these criteria using a flexible Transformer-based VAE, with a novel regularizer on the attention weights of the decoder. On synthetic image datasets consisting of objects, we provide evidence that this model can achieve comparable object disentanglement to existing models that use more explicit object-centric priors.
The task of identifying multimodal image-text representations has garnered increasing attention, particularly with models such as CLIP (Contrastive Language-Image Pretraining), which demonstrate exceptional performance in learning complex associations between images and text. Despite these advancements, ensuring the interpretability of such models is paramount for their safe deployment in real-world applications, such as healthcare. While numerous interpretability methods have been developed for unimodal tasks, these approaches often fail to transfer effectively to multimodal contexts due to inherent differences in the representation structures. Bottleneck methods, well-established in information theory, have been applied to enhance CLIP's interpretability. However, they are often hindered by strong assumptions or intrinsic randomness. To overcome these challenges, we propose the Narrowing Information Bottleneck Theory, a novel framework that fundamentally redefines the traditional bottleneck approach. This theory is specifically designed to satisfy contemporary attribution axioms, providing a more robust and reliable solution for improving the interpretability of multimodal models. In our experiments, compared to state-of-the-art methods, our approach enhances image interpretability by an average of 9\%, text interpretability by an average of 58.83\%, and accelerates processing speed by 63.95\%. Our code is publicly accessible at https://github.com/LMBTough/NIB.
Miscellaneous Aspects of Machine Learning · Causality
Identifying latent representations or causal structures is important for good generalization and downstream task performance. However, both fields developed rather independently.We observe that several structure and representation identifiability methods, particularly those that require multiple environments, rely on exchangeable non--i.i.d. (independent and identically distributed) data.To formalize this connection, we propose the Identifiable Exchangeable Mechanisms (IEM) framework to unify key representation and causal structure learning methods. IEM provides a unified probabilistic graphical model encompassing causal discovery, Independent Component Analysis, and Causal Representation Learning.With the help of the IEM model, we generalize the Causal de Finetti theorem of Guo et al., 2022 by relaxing the necessary conditions for causal structure identification in exchangeable data.We term these conditions cause and mechanism variability, and show how they imply a duality condition in identifiable representation learning, leading to new identifiability results.
Deep Learning · Generative Models and Autoencoders
By harnessing the potent generative capabilities of pre-trained large video diffusion models, we propose a new novel view synthesis paradigm that operates without the need for training. The proposed method adaptively modulates the diffusion sampling process with the given views to enable the creation of visually pleasing results from single or multiple views of static scenes or monocular videos of dynamic scenes. Specifically, built upon our theoretical modeling, we iteratively modulate the score function with the given scene priors represented with warped input views to control the video diffusion process. Moreover, by theoretically exploring the boundary of the estimation error, we achieve the modulation in an adaptive fashion according to the view pose and the number of diffusion steps. Extensive evaluations on both static and dynamic scenes substantiate the significant superiority of our method over state-of-the-art methods both quantitatively and qualitatively. The source code can be found on https://github.com/ZHU-Zhiyu/NVS_Solver.
Deep Learning · Generative Models and Autoencoders
This paper explores the challenge of accelerating the sequential inference process of Diffusion Probabilistic Models (DPMs). We tackle this critical issue from a dynamic systems perspective, in which the inherent sequential nature is transformed into a parallel sampling process. Specifically, we propose a unified framework that generalizes the sequential sampling process of DPMs as solving a system of banded nonlinear equations. Under this generic framework, we reveal that the Jacobian of the banded nonlinear equations system possesses a unit-diagonal structure, enabling further approximation for acceleration. Moreover, we theoretically propose an effective initialization approach for parallel sampling methods. Finally, we construct \textit{ParaSolver}, a hierarchical parallel sampling technique that enhances sampling speed without compromising quality. Extensive experiments show that ParaSolver achieves up to \textbf{12.1× speedup} in terms of wall-clock time. The source code is publicly available at https://github.com/Jianrong-Lu/ParaSolver.git.
Social Aspects · Fairness, Equity, Justice and Safety
Direct Preference Optimization (DPO) has been widely adopted for preference alignment of Large Language Models (LLMs) due to its simplicity and effectiveness. However, DPO is derived as a bandit problem in which the whole response is treated as a single arm, ignoring the importance differences between tokens, which may affect optimization efficiency and make it difficult to achieve optimal results.In this work, we propose that the optimal data for DPO has equal expected rewards for each token in winning and losing responses, as there is no difference in token importance. However, since the optimal dataset is unavailable in practice, we propose using the original dataset for importance sampling to achieve unbiased optimization. Accordingly, we propose a token-level importance sampling DPO objective named TIS-DPO that assigns importance weights to each token based on its reward.Inspired by previous works, we estimate the token importance weights using the difference in prediction probabilities from a pair of contrastive LLMs. We explore three methods to construct these contrastive LLMs: (1) guiding the original LLM with contrastive prompts, (2) training two separate LLMs using winning and losing responses, and (3) performing forward and reverse DPO training with winning and losing responses.Experiments show that TIS-DPO significantly outperforms various baseline methods on harmlessness and helpfulness alignment and summarization tasks. We also visualize the estimated weights, demonstrating their ability to identify key token positions.
Applications · Language, Speech and Dialog
The recent wave of audio foundation models (FMs) could provide new capabilities for conversational modeling. However, there have been limited efforts to evaluate these audio FMs comprehensively on their ability to have natural and interactive conversations. To engage in meaningful conversation with the end user, we would want the FMs to additionally perform a fluent succession of turns without too much overlapping speech or long stretches of silence. Inspired by this, we ask whether the recently proposed audio FMs can understand, predict, and perform turn-taking events? To answer this, we propose a novel evaluation protocol that can assess spoken dialog system's turn-taking capabilities using a supervised model as a judge that has been trained to predict turn-taking events in human-human conversations. Using this protocol, we present the first comprehensive user study that evaluates existing spoken dialogue systems on their ability to perform turn-taking events and reveal many interesting insights, such as they sometimes do not understand when to speak up, can interrupt too aggressively and rarely backchannel. We further evaluate multiple open-source and proprietary audio FMs accessible through APIs on carefully curated test benchmarks from Switchboard to measure their ability to understand and predict turn-taking events and identify significant room for improvement. We will open source our evaluation platform to promote the development of advanced conversational AI systems.
Deep Learning · Theory
''Grokking'' is a phenomenon where a neural network first memorizes training data and generalizes poorly, but then suddenly transitions to near-perfect generalization after prolonged training. While intriguing, this delayed generalization phenomenon compromises predictability and efficiency. Ideally, models should generalize directly without delay. To this end, this paper proposes GrokTransfer, a simple and principled method for accelerating grokking in training neural networks, based on the key observation that data embedding plays acrucial role in determining whether generalization is delayed. GrokTransfer first trains a smaller, weaker model to reach a nontrivial (but far from optimal) test performance. Then, the learned input embedding from this weaker model is extracted and used to initialize the embedding in the target, stronger model. We rigorously prove that, on a synthetic XOR task where delayed generalization alwaysoccurs in normal training, GrokTransfer enables the target model to generalize directly without delay. Moreover, we demonstrate that, across empirical studies of different tasks, GrokTransfer effectively reshapes the training dynamics and eliminates delayed generalization, for both fully-connected neural networks and Transformers.
Deep Learning · Large Language Models
Multiple-choice question answering (MCQA) is a key competence of performant transformer language models that is tested by mainstream benchmarks. However, recent evidence shows that models can have quite a range of performance, particularly when the task format is diversified slightly (such as by shuffling answer choice order). In this work we ask: how do successful models perform formatted MCQA? We employ vocabulary projection and activation patching methods to localize key hidden states that encode relevant information for predicting the correct answer. We find that prediction of a specific answer symbol is causally attributed to a few middle layers, and specifically their multi-head self-attention mechanisms. We show that subsequent layers increase the probability of the predicted answer symbol in vocabulary space, and that this probability increase is associated with a sparse set of attention heads with unique roles. We additionally uncover differences in how different models adjust to alternative symbols. Finally, we demonstrate that a synthetic task can disentangle sources of model error to pinpoint when a model has learned formatted MCQA, and show that logit differences between answer choice tokens continue to grow over the course of training.