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Apr 17

Training Chain-of-Thought via Latent-Variable Inference

Large language models (LLMs) solve problems more accurately and interpretably when instructed to work out the answer step by step using a ``chain-of-thought'' (CoT) prompt. One can also improve LLMs' performance on a specific task by supervised fine-tuning, i.e., by using gradient ascent on some tunable parameters to maximize the average log-likelihood of correct answers from a labeled training set. Naively combining CoT with supervised tuning requires supervision not just of the correct answers, but also of detailed rationales that lead to those answers; these rationales are expensive to produce by hand. Instead, we propose a fine-tuning strategy that tries to maximize the marginal log-likelihood of generating a correct answer using CoT prompting, approximately averaging over all possible rationales. The core challenge is sampling from the posterior over rationales conditioned on the correct answer; we address it using a simple Markov-chain Monte Carlo (MCMC) expectation-maximization (EM) algorithm inspired by the self-taught reasoner (STaR), memoized wake-sleep, Markovian score climbing, and persistent contrastive divergence. This algorithm also admits a novel control-variate technique that drives the variance of our gradient estimates to zero as the model improves. Applying our technique to GSM8K and the tasks in BIG-Bench Hard, we find that this MCMC-EM fine-tuning technique typically improves the model's accuracy on held-out examples more than STaR or prompt-tuning with or without CoT.

  • 10 authors
·
Nov 28, 2023

Enhancing Image Rescaling using Dual Latent Variables in Invertible Neural Network

Normalizing flow models have been used successfully for generative image super-resolution (SR) by approximating complex distribution of natural images to simple tractable distribution in latent space through Invertible Neural Networks (INN). These models can generate multiple realistic SR images from one low-resolution (LR) input using randomly sampled points in the latent space, simulating the ill-posed nature of image upscaling where multiple high-resolution (HR) images correspond to the same LR. Lately, the invertible process in INN has also been used successfully by bidirectional image rescaling models like IRN and HCFlow for joint optimization of downscaling and inverse upscaling, resulting in significant improvements in upscaled image quality. While they are optimized for image downscaling too, the ill-posed nature of image downscaling, where one HR image could be downsized to multiple LR images depending on different interpolation kernels and resampling methods, is not considered. A new downscaling latent variable, in addition to the original one representing uncertainties in image upscaling, is introduced to model variations in the image downscaling process. This dual latent variable enhancement is applicable to different image rescaling models and it is shown in extensive experiments that it can improve image upscaling accuracy consistently without sacrificing image quality in downscaled LR images. It is also shown to be effective in enhancing other INN-based models for image restoration applications like image hiding.

  • 4 authors
·
Jul 24, 2022

Time-Evolving Dynamical System for Learning Latent Representations of Mouse Visual Neural Activity

Seeking high-quality representations with latent variable models (LVMs) to reveal the intrinsic correlation between neural activity and behavior or sensory stimuli has attracted much interest. In the study of the biological visual system, naturalistic visual stimuli are inherently high-dimensional and time-dependent, leading to intricate dynamics within visual neural activity. However, most work on LVMs has not explicitly considered neural temporal relationships. To cope with such conditions, we propose Time-Evolving Visual Dynamical System (TE-ViDS), a sequential LVM that decomposes neural activity into low-dimensional latent representations that evolve over time. To better align the model with the characteristics of visual neural activity, we split latent representations into two parts and apply contrastive learning to shape them. Extensive experiments on synthetic datasets and real neural datasets from the mouse visual cortex demonstrate that TE-ViDS achieves the best decoding performance on naturalistic scenes/movies, extracts interpretable latent trajectories that uncover clear underlying neural dynamics, and provides new insights into differences in visual information processing between subjects and between cortical regions. In summary, TE-ViDS is markedly competent in extracting stimulus-relevant embeddings from visual neural activity and contributes to the understanding of visual processing mechanisms. Our codes are available at https://github.com/Grasshlw/Time-Evolving-Visual-Dynamical-System.

  • 5 authors
·
Aug 14, 2024

LaRS: Latent Reasoning Skills for Chain-of-Thought Reasoning

Chain-of-thought (CoT) prompting is a popular in-context learning (ICL) approach for large language models (LLMs), especially when tackling complex reasoning tasks. Traditional ICL approaches construct prompts using examples that contain questions similar to the input question. However, CoT prompting, which includes crucial intermediate reasoning steps (rationales) within its examples, necessitates selecting examples based on these rationales rather than the questions themselves. Existing methods require human experts or pre-trained LLMs to describe the skill, a high-level abstraction of rationales, to guide the selection. These methods, however, are often costly and difficult to scale. Instead, this paper introduces a new approach named Latent Reasoning Skills (LaRS) that employs unsupervised learning to create a latent space representation of rationales, with a latent variable called a reasoning skill. Concurrently, LaRS learns a reasoning policy to determine the required reasoning skill for a given question. Then the ICL examples are selected by aligning the reasoning skills between past examples and the question. This approach is theoretically grounded and compute-efficient, eliminating the need for auxiliary LLM inference or manual prompt design. Empirical results demonstrate that LaRS consistently outperforms SOTA skill-based selection methods, processing example banks four times faster, reducing LLM inferences during the selection stage by half, and showing greater robustness to sub-optimal example banks.

  • 6 authors
·
Dec 7, 2023

Reasoning Palette: Modulating Reasoning via Latent Contextualization for Controllable Exploration for (V)LMs

Exploration capacity shapes both inference-time performance and reinforcement learning (RL) training for large (vision-) language models, as stochastic sampling often yields redundant reasoning paths with little high-level diversity. This paper proposes Reasoning Palette, a novel latent-modulation framework that endows the model with a stochastic latent variable for strategic contextualization, guiding its internal planning prior to token generation. This latent context is inferred from the mean-pooled embedding of a question-answer pair via a variational autoencoder (VAE), where each sampled latent potentially encodes a distinct reasoning context. During inference, a sampled latent is decoded into learnable token prefixes and prepended to the input prompt, modulating the model's internal reasoning trajectory. In this way, the model performs internal sampling over reasoning strategies prior to output generation, which shapes the style and structure of the entire response sequence. A brief supervised fine-tuning (SFT) warm-up phase allows the model to adapt to this latent conditioning. Within RL optimization, Reasoning Palette facilitates structured exploration by enabling on-demand injection for diverse reasoning modes, significantly enhancing exploration efficiency and sustained learning capability. Experiments across multiple reasoning benchmarks demonstrate that our method enables interpretable and controllable control over the (vision-) language model's strategic behavior, thereby achieving consistent performance gains over standard RL methods.

alibaba-inc alibaba-inc
·
Dec 18, 2025 2

HAM-TTS: Hierarchical Acoustic Modeling for Token-Based Zero-Shot Text-to-Speech with Model and Data Scaling

Token-based text-to-speech (TTS) models have emerged as a promising avenue for generating natural and realistic speech, yet they grapple with low pronunciation accuracy, speaking style and timbre inconsistency, and a substantial need for diverse training data. In response, we introduce a novel hierarchical acoustic modeling approach complemented by a tailored data augmentation strategy and train it on the combination of real and synthetic data, scaling the data size up to 650k hours, leading to the zero-shot TTS model with 0.8B parameters. Specifically, our method incorporates a latent variable sequence containing supplementary acoustic information based on refined self-supervised learning (SSL) discrete units into the TTS model by a predictor. This significantly mitigates pronunciation errors and style mutations in synthesized speech. During training, we strategically replace and duplicate segments of the data to enhance timbre uniformity. Moreover, a pretrained few-shot voice conversion model is utilized to generate a plethora of voices with identical content yet varied timbres. This facilitates the explicit learning of utterance-level one-to-many mappings, enriching speech diversity and also ensuring consistency in timbre. Comparative experiments (Demo page: https://anonymous.4open.science/w/ham-tts/)demonstrate our model's superiority over VALL-E in pronunciation precision and maintaining speaking style, as well as timbre continuity.

  • 9 authors
·
Mar 9, 2024

Thought Communication in Multiagent Collaboration

Natural language has long enabled human cooperation, but its lossy, ambiguous, and indirect nature limits the potential of collective intelligence. While machines are not subject to these constraints, most LLM-based multi-agent systems still rely solely on natural language, exchanging tokens or their embeddings. To go beyond language, we introduce a new paradigm, thought communication, which enables agents to interact directly mind-to-mind, akin to telepathy. To uncover these latent thoughts in a principled way, we formalize the process as a general latent variable model, where agent states are generated by an unknown function of underlying thoughts. We prove that, in a nonparametric setting without auxiliary information, both shared and private latent thoughts between any pair of agents can be identified. Moreover, the global structure of thought sharing, including which agents share which thoughts and how these relationships are structured, can also be recovered with theoretical guarantees. Guided by the established theory, we develop a framework that extracts latent thoughts from all agents prior to communication and assigns each agent the relevant thoughts, along with their sharing patterns. This paradigm naturally extends beyond LLMs to all modalities, as most observational data arise from hidden generative processes. Experiments on both synthetic and real-world benchmarks validate the theory and demonstrate the collaborative advantages of thought communication. We hope this work illuminates the potential of leveraging the hidden world, as many challenges remain unsolvable through surface-level observation alone, regardless of compute or data scale.

  • 7 authors
·
Oct 23, 2025 3

Towards Understanding Unsafe Video Generation

Video generation models (VGMs) have demonstrated the capability to synthesize high-quality output. It is important to understand their potential to produce unsafe content, such as violent or terrifying videos. In this work, we provide a comprehensive understanding of unsafe video generation. First, to confirm the possibility that these models could indeed generate unsafe videos, we choose unsafe content generation prompts collected from 4chan and Lexica, and three open-source SOTA VGMs to generate unsafe videos. After filtering out duplicates and poorly generated content, we created an initial set of 2112 unsafe videos from an original pool of 5607 videos. Through clustering and thematic coding analysis of these generated videos, we identify 5 unsafe video categories: Distorted/Weird, Terrifying, Pornographic, Violent/Bloody, and Political. With IRB approval, we then recruit online participants to help label the generated videos. Based on the annotations submitted by 403 participants, we identified 937 unsafe videos from the initial video set. With the labeled information and the corresponding prompts, we created the first dataset of unsafe videos generated by VGMs. We then study possible defense mechanisms to prevent the generation of unsafe videos. Existing defense methods in image generation focus on filtering either input prompt or output results. We propose a new approach called Latent Variable Defense (LVD), which works within the model's internal sampling process. LVD can achieve 0.90 defense accuracy while reducing time and computing resources by 10x when sampling a large number of unsafe prompts.

  • 4 authors
·
Jul 17, 2024 2

Direct Retrieval-augmented Optimization: Synergizing Knowledge Selection and Language Models

Retrieval-augmented generation (RAG) integrates large language models ( LLM s) with retrievers to access external knowledge, improving the factuality of LLM generation in knowledge-grounded tasks. To optimize the RAG performance, most previous work independently fine-tunes the retriever to adapt to frozen LLM s or trains the LLMs to use documents retrieved by off-the-shelf retrievers, lacking end-to-end training supervision. Recent work addresses this limitation by jointly training these two components but relies on overly simplifying assumptions of document independence, which has been criticized for being far from real-world scenarios. Thus, effectively optimizing the overall RAG performance remains a critical challenge. We propose a direct retrieval-augmented optimization framework, named DRO, that enables end-to-end training of two key components: (i) a generative knowledge selection model and (ii) an LLM generator. DRO alternates between two phases: (i) document permutation estimation and (ii) re-weighted maximization, progressively improving RAG components through a variational approach. In the estimation step, we treat document permutation as a latent variable and directly estimate its distribution from the selection model by applying an importance sampling strategy. In the maximization step, we calibrate the optimization expectation using importance weights and jointly train the selection model and LLM generator. Our theoretical analysis reveals that DRO is analogous to policy-gradient methods in reinforcement learning. Extensive experiments conducted on five datasets illustrate that DRO outperforms the best baseline with 5%-15% improvements in EM and F1. We also provide in-depth experiments to qualitatively analyze the stability, convergence, and variance of DRO.

  • 10 authors
·
May 5, 2025

What and How does In-Context Learning Learn? Bayesian Model Averaging, Parameterization, and Generalization

In this paper, we conduct a comprehensive study of In-Context Learning (ICL) by addressing several open questions: (a) What type of ICL estimator is learned by large language models? (b) What is a proper performance metric for ICL and what is the error rate? (c) How does the transformer architecture enable ICL? To answer these questions, we adopt a Bayesian view and formulate ICL as a problem of predicting the response corresponding to the current covariate, given a number of examples drawn from a latent variable model. To answer (a), we show that, without updating the neural network parameters, ICL implicitly implements the Bayesian model averaging algorithm, which is proven to be approximately parameterized by the attention mechanism. For (b), we analyze the ICL performance from an online learning perspective and establish a O(1/T) regret bound for perfectly pretrained ICL, where T is the number of examples in the prompt. To answer (c), we show that, in addition to encoding Bayesian model averaging via attention, the transformer architecture also enables a fine-grained statistical analysis of pretraining under realistic assumptions. In particular, we prove that the error of pretrained model is bounded by a sum of an approximation error and a generalization error, where the former decays to zero exponentially as the depth grows, and the latter decays to zero sublinearly with the number of tokens in the pretraining dataset. Our results provide a unified understanding of the transformer and its ICL ability with bounds on ICL regret, approximation, and generalization, which deepens our knowledge of these essential aspects of modern language models.

  • 4 authors
·
May 30, 2023

Optimizing Chain-of-Thought Reasoners via Gradient Variance Minimization in Rejection Sampling and RL

Chain-of-thought (CoT) reasoning in large language models (LLMs) can be formalized as a latent variable problem, where the model needs to generate intermediate reasoning steps. While prior approaches such as iterative reward-ranked fine-tuning (RAFT) have relied on such formulations, they typically apply uniform inference budgets across prompts, which fails to account for variability in difficulty and convergence behavior. This work identifies the main bottleneck in CoT training as inefficient stochastic gradient estimation due to static sampling strategies. We propose GVM-RAFT, a prompt-specific Dynamic Sample Allocation Strategy designed to minimize stochastic gradient variance under a computational budget constraint. The method dynamically allocates computational resources by monitoring prompt acceptance rates and stochastic gradient norms, ensuring that the resulting gradient variance is minimized. Our theoretical analysis shows that the proposed dynamic sampling strategy leads to accelerated convergence guarantees under suitable conditions. Experiments on mathematical reasoning show that GVM-RAFT achieves a 2-4x speedup and considerable accuracy improvements over vanilla RAFT. The proposed dynamic sampling strategy is general and can be incorporated into other reinforcement learning algorithms, such as GRPO, leading to similar improvements in convergence and test accuracy. Our code is available at https://github.com/RLHFlow/GVM.

  • 7 authors
·
May 5, 2025 1

InPO: Inversion Preference Optimization with Reparametrized DDIM for Efficient Diffusion Model Alignment

Without using explicit reward, direct preference optimization (DPO) employs paired human preference data to fine-tune generative models, a method that has garnered considerable attention in large language models (LLMs). However, exploration of aligning text-to-image (T2I) diffusion models with human preferences remains limited. In comparison to supervised fine-tuning, existing methods that align diffusion model suffer from low training efficiency and subpar generation quality due to the long Markov chain process and the intractability of the reverse process. To address these limitations, we introduce DDIM-InPO, an efficient method for direct preference alignment of diffusion models. Our approach conceptualizes diffusion model as a single-step generative model, allowing us to fine-tune the outputs of specific latent variables selectively. In order to accomplish this objective, we first assign implicit rewards to any latent variable directly via a reparameterization technique. Then we construct an Inversion technique to estimate appropriate latent variables for preference optimization. This modification process enables the diffusion model to only fine-tune the outputs of latent variables that have a strong correlation with the preference dataset. Experimental results indicate that our DDIM-InPO achieves state-of-the-art performance with just 400 steps of fine-tuning, surpassing all preference aligning baselines for T2I diffusion models in human preference evaluation tasks.

  • 6 authors
·
Mar 24, 2025

ThinkSum: Probabilistic reasoning over sets using large language models

Large language models (LLMs) have a substantial capacity for high-level analogical reasoning: reproducing patterns in linear text that occur in their training data (zero-shot evaluation) or in the provided context (few-shot in-context learning). However, recent studies show that even the more advanced LLMs fail in scenarios that require reasoning over multiple objects or facts and making sequences of logical deductions. We propose a two-stage probabilistic inference paradigm, ThinkSum, which reasons over sets of objects or facts in a structured manner. In the first stage (Think - retrieval of associations), a LLM is queried in parallel over a set of phrases extracted from the prompt or an auxiliary model call. In the second stage (Sum - probabilistic inference or reasoning), the results of these queries are aggregated to make the final prediction. We demonstrate the possibilities and advantages of ThinkSum on the BIG-bench suite of LLM evaluation tasks, achieving improvements over the state of the art using GPT-family models on thirteen difficult tasks, often with far smaller model variants. We also compare and contrast ThinkSum with other proposed modifications to direct prompting of LLMs, such as variants of chain-of-thought prompting. Our results suggest that because the probabilistic inference in ThinkSum is performed outside of calls to the LLM, ThinkSum is less sensitive to prompt design, yields more interpretable predictions, and can be flexibly combined with latent variable models to extract structured knowledge from LLMs. Overall, our proposed paradigm represents a promising approach for enhancing the reasoning capabilities of LLMs.

  • 4 authors
·
Oct 3, 2022

Beyond Fixed: Variable-Length Denoising for Diffusion Large Language Models

Diffusion Large Language Models (DLLMs) are emerging as a powerful alternative to the dominant Autoregressive Large Language Models, offering efficient parallel generation and capable global context modeling. However, the practical application of DLLMs is hindered by a critical architectural constraint: the need for a statically predefined generation length. This static length allocation leads to a problematic trade-off: insufficient lengths cripple performance on complex tasks, while excessive lengths incur significant computational overhead and sometimes result in performance degradation. While the inference framework is rigid, we observe that the model itself possesses internal signals that correlate with the optimal response length for a given task. To bridge this gap, we leverage these latent signals and introduce DAEDAL, a novel training-free denoising strategy that enables Dynamic Adaptive Length Expansion for Diffusion Large Language Models. DAEDAL operates in two phases: 1) Before the denoising process, DAEDAL starts from a short initial length and iteratively expands it to a coarse task-appropriate length, guided by a sequence completion metric. 2) During the denoising process, DAEDAL dynamically intervenes by pinpointing and expanding insufficient generation regions through mask token insertion, ensuring the final output is fully developed. Extensive experiments on DLLMs demonstrate that DAEDAL achieves performance comparable, and in some cases superior, to meticulously tuned fixed-length baselines, while simultaneously enhancing computational efficiency by achieving a higher effective token ratio. By resolving the static length constraint, DAEDAL unlocks new potential for DLLMs, bridging a critical gap with their Autoregressive counterparts and paving the way for more efficient and capable generation.

  • 6 authors
·
Aug 1, 2025 2

Qwen-Image-Layered: Towards Inherent Editability via Layer Decomposition

Recent visual generative models often struggle with consistency during image editing due to the entangled nature of raster images, where all visual content is fused into a single canvas. In contrast, professional design tools employ layered representations, allowing isolated edits while preserving consistency. Motivated by this, we propose Qwen-Image-Layered, an end-to-end diffusion model that decomposes a single RGB image into multiple semantically disentangled RGBA layers, enabling inherent editability, where each RGBA layer can be independently manipulated without affecting other content. To support variable-length decomposition, we introduce three key components: (1) an RGBA-VAE to unify the latent representations of RGB and RGBA images; (2) a VLD-MMDiT (Variable Layers Decomposition MMDiT) architecture capable of decomposing a variable number of image layers; and (3) a Multi-stage Training strategy to adapt a pretrained image generation model into a multilayer image decomposer. Furthermore, to address the scarcity of high-quality multilayer training images, we build a pipeline to extract and annotate multilayer images from Photoshop documents (PSD). Experiments demonstrate that our method significantly surpasses existing approaches in decomposition quality and establishes a new paradigm for consistent image editing. Our code and models are released on https://github.com/QwenLM/Qwen-Image-Layered{https://github.com/QwenLM/Qwen-Image-Layered}

  • 14 authors
·
Dec 17, 2025 9

SwapAnything: Enabling Arbitrary Object Swapping in Personalized Visual Editing

Effective editing of personal content holds a pivotal role in enabling individuals to express their creativity, weaving captivating narratives within their visual stories, and elevate the overall quality and impact of their visual content. Therefore, in this work, we introduce SwapAnything, a novel framework that can swap any objects in an image with personalized concepts given by the reference, while keeping the context unchanged. Compared with existing methods for personalized subject swapping, SwapAnything has three unique advantages: (1) precise control of arbitrary objects and parts rather than the main subject, (2) more faithful preservation of context pixels, (3) better adaptation of the personalized concept to the image. First, we propose targeted variable swapping to apply region control over latent feature maps and swap masked variables for faithful context preservation and initial semantic concept swapping. Then, we introduce appearance adaptation, to seamlessly adapt the semantic concept into the original image in terms of target location, shape, style, and content during the image generation process. Extensive results on both human and automatic evaluation demonstrate significant improvements of our approach over baseline methods on personalized swapping. Furthermore, SwapAnything shows its precise and faithful swapping abilities across single object, multiple objects, partial object, and cross-domain swapping tasks. SwapAnything also achieves great performance on text-based swapping and tasks beyond swapping such as object insertion.

  • 10 authors
·
Apr 8, 2024

PanGu-Draw: Advancing Resource-Efficient Text-to-Image Synthesis with Time-Decoupled Training and Reusable Coop-Diffusion

Current large-scale diffusion models represent a giant leap forward in conditional image synthesis, capable of interpreting diverse cues like text, human poses, and edges. However, their reliance on substantial computational resources and extensive data collection remains a bottleneck. On the other hand, the integration of existing diffusion models, each specialized for different controls and operating in unique latent spaces, poses a challenge due to incompatible image resolutions and latent space embedding structures, hindering their joint use. Addressing these constraints, we present "PanGu-Draw", a novel latent diffusion model designed for resource-efficient text-to-image synthesis that adeptly accommodates multiple control signals. We first propose a resource-efficient Time-Decoupling Training Strategy, which splits the monolithic text-to-image model into structure and texture generators. Each generator is trained using a regimen that maximizes data utilization and computational efficiency, cutting data preparation by 48% and reducing training resources by 51%. Secondly, we introduce "Coop-Diffusion", an algorithm that enables the cooperative use of various pre-trained diffusion models with different latent spaces and predefined resolutions within a unified denoising process. This allows for multi-control image synthesis at arbitrary resolutions without the necessity for additional data or retraining. Empirical validations of Pangu-Draw show its exceptional prowess in text-to-image and multi-control image generation, suggesting a promising direction for future model training efficiencies and generation versatility. The largest 5B T2I PanGu-Draw model is released on the Ascend platform. Project page: https://pangu-draw.github.io

  • 10 authors
·
Dec 27, 2023 1

MIRA: Medical Time Series Foundation Model for Real-World Health Data

A unified foundation model for medical time series -- pretrained on open access and ethics board-approved medical corpora -- offers the potential to reduce annotation burdens, minimize model customization, and enable robust transfer across clinical institutions, modalities, and tasks, particularly in data-scarce or privacy-constrained environments. However, existing generalist time series foundation models struggle to handle medical time series data due to their inherent challenges, including irregular intervals, heterogeneous sampling rates, and frequent missing values. To address these challenges, we introduce MIRA, a unified foundation model specifically designed for medical time series forecasting. MIRA incorporates a Continuous-Time Rotary Positional Encoding that enables fine-grained modeling of variable time intervals, a frequency-specific mixture-of-experts layer that routes computation across latent frequency regimes to further promote temporal specialization, and a Continuous Dynamics Extrapolation Block based on Neural ODE that models the continuous trajectory of latent states, enabling accurate forecasting at arbitrary target timestamps. Pretrained on a large-scale and diverse medical corpus comprising over 454 billion time points collect from publicly available datasets, MIRA achieves reductions in forecasting errors by an average of 10% and 7% in out-of-distribution and in-distribution scenarios, respectively, when compared to other zero-shot and fine-tuned baselines. We also introduce a comprehensive benchmark spanning multiple downstream clinical tasks, establishing a foundation for future research in medical time series modeling.

  • 11 authors
·
Jun 9, 2025

Towards Characterizing Domain Counterfactuals For Invertible Latent Causal Models

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

  • 5 authors
·
Jun 20, 2023

La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching

Recently, many generative models for de novo protein structure design have emerged. Yet, only few tackle the difficult task of directly generating fully atomistic structures jointly with the underlying amino acid sequence. This is challenging, for instance, because the model must reason over side chains that change in length during generation. We introduce La-Proteina for atomistic protein design based on a novel partially latent protein representation: coarse backbone structure is modeled explicitly, while sequence and atomistic details are captured via per-residue latent variables of fixed dimensionality, thereby effectively side-stepping challenges of explicit side-chain representations. Flow matching in this partially latent space then models the joint distribution over sequences and full-atom structures. La-Proteina achieves state-of-the-art performance on multiple generation benchmarks, including all-atom co-designability, diversity, and structural validity, as confirmed through detailed structural analyses and evaluations. Notably, La-Proteina also surpasses previous models in atomistic motif scaffolding performance, unlocking critical atomistic structure-conditioned protein design tasks. Moreover, La-Proteina is able to generate co-designable proteins of up to 800 residues, a regime where most baselines collapse and fail to produce valid samples, demonstrating La-Proteina's scalability and robustness.

  • 9 authors
·
Jul 12, 2025

Beyond Heuristic Prompting: A Concept-Guided Bayesian Framework for Zero-Shot Image Recognition

Vision-Language Models (VLMs), such as CLIP, have significantly advanced zero-shot image recognition. However, their performance remains limited by suboptimal prompt engineering and poor adaptability to target classes. While recent methods attempt to improve prompts through diverse class descriptions, they often rely on heuristic designs, lack versatility, and are vulnerable to outlier prompts. This paper enhances prompt by incorporating class-specific concepts. By treating concepts as latent variables, we rethink zero-shot image classification from a Bayesian perspective, casting prediction as marginalization over the concept space, where each concept is weighted by a prior and a test-image conditioned likelihood. This formulation underscores the importance of both a well-structured concept proposal distribution and the refinement of concept priors. To construct an expressive and efficient proposal distribution, we introduce a multi-stage concept synthesis pipeline driven by LLMs to generate discriminative and compositional concepts, followed by a Determinantal Point Process to enforce diversity. To mitigate the influence of outlier concepts, we propose a training-free, adaptive soft-trim likelihood, which attenuates their impact in a single forward pass. We further provide robustness guarantees and derive multi-class excess risk bounds for our framework. Extensive experiments demonstrate that our method consistently outperforms state-of-the-art approaches, validating its effectiveness in zero-shot image classification. Our code is available at https://github.com/less-and-less-bugs/CGBC.

  • 6 authors
·
Mar 8

Unleashing the Potential of Multimodal LLMs for Zero-Shot Spatio-Temporal Video Grounding

Spatio-temporal video grounding (STVG) aims at localizing the spatio-temporal tube of a video, as specified by the input text query. In this paper, we utilize multimodal large language models (MLLMs) to explore a zero-shot solution in STVG. We reveal two key insights about MLLMs: (1) MLLMs tend to dynamically assign special tokens, referred to as grounding tokens, for grounding the text query; and (2) MLLMs often suffer from suboptimal grounding due to the inability to fully integrate the cues in the text query (e.g., attributes, actions) for inference. Based on these insights, we propose a MLLM-based zero-shot framework for STVG, which includes novel decomposed spatio-temporal highlighting (DSTH) and temporal-augmented assembling (TAS) strategies to unleash the reasoning ability of MLLMs. The DSTH strategy first decouples the original query into attribute and action sub-queries for inquiring the existence of the target both spatially and temporally. It then uses a novel logit-guided re-attention (LRA) module to learn latent variables as spatial and temporal prompts, by regularizing token predictions for each sub-query. These prompts highlight attribute and action cues, respectively, directing the model's attention to reliable spatial and temporal related visual regions. In addition, as the spatial grounding by the attribute sub-query should be temporally consistent, we introduce the TAS strategy to assemble the predictions using the original video frames and the temporal-augmented frames as inputs to help improve temporal consistency. We evaluate our method on various MLLMs, and show that it outperforms SOTA methods on three common STVG benchmarks. The code will be available at https://github.com/zaiquanyang/LLaVA_Next_STVG.

  • 4 authors
·
Sep 18, 2025 2

Unified Multivariate Gaussian Mixture for Efficient Neural Image Compression

Modeling latent variables with priors and hyperpriors is an essential problem in variational image compression. Formally, trade-off between rate and distortion is handled well if priors and hyperpriors precisely describe latent variables. Current practices only adopt univariate priors and process each variable individually. However, we find inter-correlations and intra-correlations exist when observing latent variables in a vectorized perspective. These findings reveal visual redundancies to improve rate-distortion performance and parallel processing ability to speed up compression. This encourages us to propose a novel vectorized prior. Specifically, a multivariate Gaussian mixture is proposed with means and covariances to be estimated. Then, a novel probabilistic vector quantization is utilized to effectively approximate means, and remaining covariances are further induced to a unified mixture and solved by cascaded estimation without context models involved. Furthermore, codebooks involved in quantization are extended to multi-codebooks for complexity reduction, which formulates an efficient compression procedure. Extensive experiments on benchmark datasets against state-of-the-art indicate our model has better rate-distortion performance and an impressive 3.18times compression speed up, giving us the ability to perform real-time, high-quality variational image compression in practice. Our source code is publicly available at https://github.com/xiaosu-zhu/McQuic.

  • 5 authors
·
Mar 21, 2022

DGNO: A Novel Physics-aware Neural Operator for Solving Forward and Inverse PDE Problems based on Deep, Generative Probabilistic Modeling

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

  • 2 authors
·
Feb 10, 2025

PartSLIP++: Enhancing Low-Shot 3D Part Segmentation via Multi-View Instance Segmentation and Maximum Likelihood Estimation

Open-world 3D part segmentation is pivotal in diverse applications such as robotics and AR/VR. Traditional supervised methods often grapple with limited 3D data availability and struggle to generalize to unseen object categories. PartSLIP, a recent advancement, has made significant strides in zero- and few-shot 3D part segmentation. This is achieved by harnessing the capabilities of the 2D open-vocabulary detection module, GLIP, and introducing a heuristic method for converting and lifting multi-view 2D bounding box predictions into 3D segmentation masks. In this paper, we introduce PartSLIP++, an enhanced version designed to overcome the limitations of its predecessor. Our approach incorporates two major improvements. First, we utilize a pre-trained 2D segmentation model, SAM, to produce pixel-wise 2D segmentations, yielding more precise and accurate annotations than the 2D bounding boxes used in PartSLIP. Second, PartSLIP++ replaces the heuristic 3D conversion process with an innovative modified Expectation-Maximization algorithm. This algorithm conceptualizes 3D instance segmentation as unobserved latent variables, and then iteratively refines them through an alternating process of 2D-3D matching and optimization with gradient descent. Through extensive evaluations, we show that PartSLIP++ demonstrates better performance over PartSLIP in both low-shot 3D semantic and instance-based object part segmentation tasks. Code released at https://github.com/zyc00/PartSLIP2.

  • 6 authors
·
Dec 4, 2023

VP-VAE: Rethinking Vector Quantization via Adaptive Vector Perturbation

Vector Quantized Variational Autoencoders (VQ-VAEs) are fundamental to modern generative modeling, yet they often suffer from training instability and "codebook collapse" due to the inherent coupling of representation learning and discrete codebook optimization. In this paper, we propose VP-VAE (Vector Perturbation VAE), a novel paradigm that decouples representation learning from discretization by eliminating the need for an explicit codebook during training. Our key insight is that, from the neural network's viewpoint, performing quantization primarily manifests as injecting a structured perturbation in latent space. Accordingly, VP-VAE replaces the non-differentiable quantizer with distribution-consistent and scale-adaptive latent perturbations generated via Metropolis--Hastings sampling. This design enables stable training without a codebook while making the model robust to inference-time quantization error. Moreover, under the assumption of approximately uniform latent variables, we derive FSP (Finite Scalar Perturbation), a lightweight variant of VP-VAE that provides a unified theoretical explanation and a practical improvement for FSQ-style fixed quantizers. Extensive experiments on image and audio benchmarks demonstrate that VP-VAE and FSP improve reconstruction fidelity and achieve substantially more balanced token usage, while avoiding the instability inherent to coupled codebook training.

  • 8 authors
·
Feb 19

Physics-guided Deep Markov Models for Learning Nonlinear Dynamical Systems with Uncertainty

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from measurement data, where exact inference of latent variables is typically intractable. A recently surfaced option pertains to leveraging variational inference to perform approximate inference. In such a scheme, transition and emission functions of the system are parameterized via feed-forward neural networks (deep generative models). However, due to the generalized and highly versatile formulation of neural network functions, the learned latent space often lacks physical interpretation and structured representation. To address this, we bridge physics-based state space models with Deep Markov Models, thus delivering a hybrid modeling framework for unsupervised learning and identification of nonlinear dynamical systems. The proposed framework takes advantage of the expressive power of deep learning, while retaining the driving physics of the dynamical system by imposing physics-driven restrictions on the side of the latent space. We demonstrate the benefits of such a fusion in terms of achieving improved performance on illustrative simulation examples and experimental case studies of nonlinear systems. Our results indicate that the physics-based models involved in the employed transition and emission functions essentially enforce a more structured and physically interpretable latent space, which is essential for enhancing and generalizing the predictive capabilities of deep learning-based models.

  • 4 authors
·
Oct 16, 2021

Information Shapes Koopman Representation

The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods. The implementation is publicly available at https://github.com/Wenxuan52/InformationKoopman.

  • 7 authors
·
Oct 14, 2025

Pursuing Counterfactual Fairness via Sequential Autoencoder Across Domains

Recognizing the prevalence of domain shift as a common challenge in machine learning, various domain generalization (DG) techniques have been developed to enhance the performance of machine learning systems when dealing with out-of-distribution (OOD) data. Furthermore, in real-world scenarios, data distributions can gradually change across a sequence of sequential domains. While current methodologies primarily focus on improving model effectiveness within these new domains, they often overlook fairness issues throughout the learning process. In response, we introduce an innovative framework called Counterfactual Fairness-Aware Domain Generalization with Sequential Autoencoder (CDSAE). This approach effectively separates environmental information and sensitive attributes from the embedded representation of classification features. This concurrent separation not only greatly improves model generalization across diverse and unfamiliar domains but also effectively addresses challenges related to unfair classification. Our strategy is rooted in the principles of causal inference to tackle these dual issues. To examine the intricate relationship between semantic information, sensitive attributes, and environmental cues, we systematically categorize exogenous uncertainty factors into four latent variables: 1) semantic information influenced by sensitive attributes, 2) semantic information unaffected by sensitive attributes, 3) environmental cues influenced by sensitive attributes, and 4) environmental cues unaffected by sensitive attributes. By incorporating fairness regularization, we exclusively employ semantic information for classification purposes. Empirical validation on synthetic and real-world datasets substantiates the effectiveness of our approach, demonstrating improved accuracy levels while ensuring the preservation of fairness in the evolving landscape of continuous domains.

  • 6 authors
·
Sep 22, 2023

A Periodic Bayesian Flow for Material Generation

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song et al., 2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., ~100x speedup 10 v.s. 2000 steps network forwards) compared with previous diffusion-based methods on MP-20 dataset. Code is available at https://github.com/wu-han-lin/CrysBFN.

  • 9 authors
·
Feb 4, 2025

Weak-to-Strong Diffusion with Reflection

The goal of diffusion generative models is to align the learned distribution with the real data distribution through gradient score matching. However, inherent limitations in training data quality, modeling strategies, and architectural design lead to inevitable gap between generated outputs and real data. To reduce this gap, we propose Weak-to-Strong Diffusion (W2SD), a novel framework that utilizes the estimated difference between existing weak and strong models (i.e., weak-to-strong difference) to approximate the gap between an ideal model and a strong model. By employing a reflective operation that alternates between denoising and inversion with weak-to-strong difference, we theoretically understand that W2SD steers latent variables along sampling trajectories toward regions of the real data distribution. W2SD is highly flexible and broadly applicable, enabling diverse improvements through the strategic selection of weak-to-strong model pairs (e.g., DreamShaper vs. SD1.5, good experts vs. bad experts in MoE). Extensive experiments demonstrate that W2SD significantly improves human preference, aesthetic quality, and prompt adherence, achieving SOTA performance across various modalities (e.g., image, video), architectures (e.g., UNet-based, DiT-based, MoE), and benchmarks. For example, Juggernaut-XL with W2SD can improve with the HPSv2 winning rate up to 90% over the original results. Moreover, the performance gains achieved by W2SD markedly outweigh its additional computational overhead, while the cumulative improvements from different weak-to-strong difference further solidify its practical utility and deployability.

  • 3 authors
·
Feb 1, 2025 2

Bifrost-1: Bridging Multimodal LLMs and Diffusion Models with Patch-level CLIP Latents

There is growing interest in integrating high-fidelity visual synthesis capabilities into large language models (LLMs) without compromising their strong reasoning capabilities. Existing methods that directly train LLMs or bridge LLMs and diffusion models usually suffer from costly training since the backbone LLMs have not seen image representations during pretraining. We present Bifrost-1, a unified framework that bridges pretrained multimodal LLMs (MLLMs) and diffusion models using patch-level CLIP image embeddings as latent variables, which are natively aligned with the MLLM's CLIP visual encoder. These patch-level image embeddings are integrated into the diffusion model with a lightweight adaptation of its ControlNet. To retain the original multimodal reasoning capabilities of MLLMs, we equip the MLLM with a visual generation branch initialized from the original MLLM parameters when predicting the patch-level image embeddings. By seamlessly integrating pretrained MLLMs and diffusion models with patch-level CLIP latents, our framework enables high-fidelity controllable image generation with significant training efficiency. Our experiments demonstrate that Bifrost-1 achieves comparable or better performance than previous methods in terms of visual fidelity and multimodal understanding, with substantially lower compute during training. We also provide comprehensive ablation studies showing the effectiveness of our design choices.

  • 5 authors
·
Aug 7, 2025 2

Improving Classifier-Free Guidance of Flow Matching via Manifold Projection

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance scale. In this work, we provide a principled interpretation of CFG through the lens of optimization. We demonstrate that the velocity field in flow matching corresponds to the gradient of a sequence of smoothed distance functions, which guides latent variables toward the scaled target image set. This perspective reveals that the standard CFG formulation is an approximation of this gradient, where the prediction gap, the discrepancy between conditional and unconditional outputs, governs guidance sensitivity. Leveraging this insight, we reformulate the CFG sampling as a homotopy optimization with a manifold constraint. This formulation necessitates a manifold projection step, which we implement via an incremental gradient descent scheme during sampling. To improve computational efficiency and stability, we further enhance this iterative process with Anderson Acceleration without requiring additional model evaluations. Our proposed methods are training-free and consistently refine generation fidelity, prompt alignment, and robustness to the guidance scale. We validate their effectiveness across diverse benchmarks, demonstrating significant improvements on large-scale models such as DiT-XL-2-256, Flux, and Stable Diffusion 3.5.

  • 4 authors
·
Jan 29

Graph Domain Adaptation: A Generative View

Recent years have witnessed tremendous interest in deep learning on graph-structured data. Due to the high cost of collecting labeled graph-structured data, domain adaptation is important to supervised graph learning tasks with limited samples. However, current graph domain adaptation methods are generally adopted from traditional domain adaptation tasks, and the properties of graph-structured data are not well utilized. For example, the observed social networks on different platforms are controlled not only by the different crowd or communities but also by the domain-specific policies and the background noise. Based on these properties in graph-structured data, we first assume that the graph-structured data generation process is controlled by three independent types of latent variables, i.e., the semantic latent variables, the domain latent variables, and the random latent variables. Based on this assumption, we propose a disentanglement-based unsupervised domain adaptation method for the graph-structured data, which applies variational graph auto-encoders to recover these latent variables and disentangles them via three supervised learning modules. Extensive experimental results on two real-world datasets in the graph classification task reveal that our method not only significantly outperforms the traditional domain adaptation methods and the disentangled-based domain adaptation methods but also outperforms the state-of-the-art graph domain adaptation algorithms.

  • 6 authors
·
Jun 14, 2021

I Predict Therefore I Am: Is Next Token Prediction Enough to Learn Human-Interpretable Concepts from Data?

The remarkable achievements of large language models (LLMs) have led many to conclude that they exhibit a form of intelligence. This is as opposed to explanations of their capabilities based on their ability to perform relatively simple manipulations of vast volumes of data. To illuminate the distinction between these explanations, we introduce a novel generative model that generates tokens on the basis of human-interpretable concepts represented as latent discrete variables. Under mild conditions, even when the mapping from the latent space to the observed space is non-invertible, we establish an identifiability result, i.e., the representations learned by LLMs through next-token prediction can be approximately modeled as the logarithm of the posterior probabilities of these latent discrete concepts given input context, up to an invertible linear transformation. This theoretical finding not only provides evidence that LLMs capture underlying generative factors, but also provide a unified prospective for understanding of the linear representation hypothesis. Taking this a step further, our finding motivates a reliable evaluation of sparse autoencoders by treating the performance of supervised concept extractors as an upper bound. Pushing this idea even further, it inspires a structural variant that enforces dependence among latent concepts in addition to promoting sparsity. Empirically, we validate our theoretical results through evaluations on both simulation data and the Pythia, Llama, and DeepSeek model families, and demonstrate the effectiveness of our structured sparse autoencoder.

  • 9 authors
·
Mar 11, 2025

A versatile informative diffusion model for single-cell ATAC-seq data generation and analysis

The rapid advancement of single-cell ATAC sequencing (scATAC-seq) technologies holds great promise for investigating the heterogeneity of epigenetic landscapes at the cellular level. The amplification process in scATAC-seq experiments often introduces noise due to dropout events, which results in extreme sparsity that hinders accurate analysis. Consequently, there is a significant demand for the generation of high-quality scATAC-seq data in silico. Furthermore, current methodologies are typically task-specific, lacking a versatile framework capable of handling multiple tasks within a single model. In this work, we propose ATAC-Diff, a versatile framework, which is based on a latent diffusion model conditioned on the latent auxiliary variables to adapt for various tasks. ATAC-Diff is the first diffusion model for the scATAC-seq data generation and analysis, composed of auxiliary modules encoding the latent high-level variables to enable the model to learn the semantic information to sample high-quality data. Gaussian Mixture Model (GMM) as the latent prior and auxiliary decoder, the yield variables reserve the refined genomic information beneficial for downstream analyses. Another innovation is the incorporation of mutual information between observed and hidden variables as a regularization term to prevent the model from decoupling from latent variables. Through extensive experiments, we demonstrate that ATAC-Diff achieves high performance in both generation and analysis tasks, outperforming state-of-the-art models.

  • 6 authors
·
Aug 27, 2024

Dynamics Within Latent Chain-of-Thought: An Empirical Study of Causal Structure

Latent or continuous chain-of-thought methods replace explicit textual rationales with a number of internal latent steps, but these intermediate computations are difficult to evaluate beyond correlation-based probes. In this paper, we view latent chain-of-thought as a manipulable causal process in representation space by modeling latent steps as variables in a structural causal model (SCM) and analyzing their effects through step-wise do-interventions. We study two representative paradigms (i.e., Coconut and CODI) on both mathematical and general reasoning tasks to investigate three key questions: (1) which steps are causally necessary for correctness and when answers become decidable early; (2) how does influence propagate across steps, and how does this structure compare to explicit CoT; and (3) do intermediate trajectories retain competing answer modes, and how does output-level commitment differ from representational commitment across steps. We find that latent-step budgets behave less like homogeneous extra depth and more like staged functionality with non-local routing, and we identify a persistent gap between early output bias and late representational commitment. These results motivate mode-conditional and stability-aware analyses -- and corresponding training/decoding objectives -- as more reliable tools for interpreting and improving latent reasoning systems. Code is available at https://github.com/J1mL1/causal-latent-cot.

  • 7 authors
·
Feb 9

Connecting the Dots: Multivariate Time Series Forecasting with Graph Neural Networks

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its variables depend on one another but, upon looking closely, it is fair to say that existing methods fail to fully exploit latent spatial dependencies between pairs of variables. In recent years, meanwhile, graph neural networks (GNNs) have shown high capability in handling relational dependencies. GNNs require well-defined graph structures for information propagation which means they cannot be applied directly for multivariate time series where the dependencies are not known in advance. In this paper, we propose a general graph neural network framework designed specifically for multivariate time series data. Our approach automatically extracts the uni-directed relations among variables through a graph learning module, into which external knowledge like variable attributes can be easily integrated. A novel mix-hop propagation layer and a dilated inception layer are further proposed to capture the spatial and temporal dependencies within the time series. The graph learning, graph convolution, and temporal convolution modules are jointly learned in an end-to-end framework. Experimental results show that our proposed model outperforms the state-of-the-art baseline methods on 3 of 4 benchmark datasets and achieves on-par performance with other approaches on two traffic datasets which provide extra structural information.

  • 6 authors
·
May 24, 2020

Causal Diffusion Autoencoders: Toward Counterfactual Generation via Diffusion Probabilistic Models

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant research effort to improve image sample quality, there is little work on representation-controlled generation using diffusion models. Specifically, causal modeling and controllable counterfactual generation using DPMs is an underexplored area. In this work, we propose CausalDiffAE, a diffusion-based causal representation learning framework to enable counterfactual generation according to a specified causal model. Our key idea is to use an encoder to extract high-level semantically meaningful causal variables from high-dimensional data and model stochastic variation using reverse diffusion. We propose a causal encoding mechanism that maps high-dimensional data to causally related latent factors and parameterize the causal mechanisms among latent factors using neural networks. To enforce the disentanglement of causal variables, we formulate a variational objective and leverage auxiliary label information in a prior to regularize the latent space. We propose a DDIM-based counterfactual generation procedure subject to do-interventions. Finally, to address the limited label supervision scenario, we also study the application of CausalDiffAE when a part of the training data is unlabeled, which also enables granular control over the strength of interventions in generating counterfactuals during inference. We empirically show that CausalDiffAE learns a disentangled latent space and is capable of generating high-quality counterfactual images.

  • 4 authors
·
Apr 26, 2024

Identifying Representations for Intervention Extrapolation

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

  • 5 authors
·
Oct 6, 2023