arXiv subjects

Jianwen Xie

Publications and source records attributed to Jianwen Xie.

At least 55 records · Page 3Linked to original sources

arXiv2025

FFT-Accelerated Auxiliary Variable MCMC for Fermionic Lattice Models: A Determinant-Free Approach with $O(N\log N)$ Complexity

We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited by $O(N^3)$ computational complexity. Our method avoids this bottleneck, achieving near-linear $O(N \log N)$ scaling per sweep. Our approach samples a joint probability measure over two coupled variable sets: (1) particle trajectories of the fundamental fermions, and (2) auxiliary variables that decouple fermion interactions. The key innovation is a novel transition kernel for particle trajectories formulated in the Fourier domain, revealing the transition probability as a convolution that enables massive acceleration via the Fast Fourier Transform (FFT). The auxiliary variables admit closed-form, factorized conditional distributions, enabling efficient exact Gibbs sampling update. We validate our algorithm on benchmark quantum physics problems, accurately reproducing known theoretical results and matching traditional $O(N^3)$ algorithms on $32\times 32$ lattice simulations at a fraction of the wall-clock time, empirically demonstrating $N \log N$ scaling. By reformulating a long-standing physics simulation problem in machine learning language, our work provides a powerful tool for large-scale probabilistic inference and opens avenues for physics-inspired generative models.

cond-mat.str-el↗

arXiv2025

To Compress or Not? Pushing the Frontier of Lossless GenAI Model Weights Compression with Exponent Concentration

The scaling of Generative AI (GenAI) models into the hundreds of billions of parameters makes low-precision computation indispensable for efficient deployment. We argue that the fundamental solution lies in developing low-precision floating-point formats, which inherently provide numerical stability, memory savings, and hardware efficiency without dequantization overhead. In this paper, we present a theoretical and empirical study of an exponent concentration phenomenon in GenAI weights: exponents consistently exhibit low entropy across architectures and modalities. We show that this arises naturally from $α$-stable distributions induced by stochastic gradient descent, and we prove tight bounds on the entropy of exponents. Our analysis establishes a theoretical compression limit near FP4.67, which motivates the design of a practical FP8 format. Building on these insights, we propose Exponent-Concentrated FP8 (ECF8), a lossless compression framework with entropy-aware encoding and GPU-optimized decoding. Experiments on LLMs and DiTs up to 671B parameters demonstrate up to 26.9% memory savings and 177.1% throughput acceleration, with perfectly lossless computations, i.e., no deviation in model outputs. Our results establish exponent concentration as a statistical law of trained models and open a principled path for lossless low-precision floating-point design in the FP8 era.

cs.LG↗

arXiv2025

DEL-ToM: Inference-Time Scaling for Theory-of-Mind Reasoning via Dynamic Epistemic Logic

Theory-of-Mind (ToM) tasks pose a unique challenge for large language models (LLMs), which often lack the capability for dynamic logical reasoning. In this work, we propose DEL-ToM, a framework that improves verifiable ToM reasoning through inference-time scaling rather than architectural changes. Our approach decomposes ToM tasks into a sequence of belief updates grounded in Dynamic Epistemic Logic (DEL), enabling structured and verifiable dynamic logical reasoning. We use data generated automatically via a DEL simulator to train a verifier, which we call the Process Belief Model (PBM), to score each belief update step. During inference, the PBM evaluates candidate belief traces from the LLM and selects the highest-scoring one. This allows LLMs to allocate extra inference-time compute to yield more transparent reasoning. Experiments across model scales and benchmarks show that DEL-ToM consistently improves performance, demonstrating that verifiable belief supervision significantly enhances LLMs' ToM capabilities without retraining. Code is available at https://github.com/joel-wu/DEL-ToM.

cs.AI↗

arXiv2025

OverLayBench: A Benchmark for Layout-to-Image Generation with Dense Overlaps

Despite steady progress in layout-to-image generation, current methods still struggle with layouts containing significant overlap between bounding boxes. We identify two primary challenges: (1) large overlapping regions and (2) overlapping instances with minimal semantic distinction. Through both qualitative examples and quantitative analysis, we demonstrate how these factors degrade generation quality. To systematically assess this issue, we introduce OverLayScore, a novel metric that quantifies the complexity of overlapping bounding boxes. Our analysis reveals that existing benchmarks are biased toward simpler cases with low OverLayScore values, limiting their effectiveness in evaluating model performance under more challenging conditions. To bridge this gap, we present OverLayBench, a new benchmark featuring high-quality annotations and a balanced distribution across different levels of OverLayScore. As an initial step toward improving performance on complex overlaps, we also propose CreatiLayout-AM, a model fine-tuned on a curated amodal mask dataset. Together, our contributions lay the groundwork for more robust layout-to-image generation under realistic and challenging scenarios. Project link: https://mlpc-ucsd.github.io/OverLayBench.

cs.CV↗

arXiv2025

Latent Adaptive Planner for Dynamic Manipulation

We present the Latent Adaptive Planner (LAP), a trajectory-level latent-variable policy for dynamic nonprehensile manipulation (e.g., box catching) that formulates planning as inference in a low-dimensional latent space and is learned effectively from human demonstration videos. During execution, LAP achieves real-time adaptation by maintaining a posterior over the latent plan and performing variational replanning as new observations arrive. To bridge the embodiment gap between humans and robots, we introduce a model-based proportional mapping that regenerates accurate kinematic-dynamic joint states and object positions from human demonstrations. Through challenging box catching experiments with varying object properties, LAP demonstrates superior success rates, trajectory smoothness, and energy efficiency by learning human-like compliant motions and adaptive behaviors. Overall, LAP enables dynamic manipulation with real-time adaptation and successfully transfer across heterogeneous robot platforms using the same human demonstration videos.

cs.RO↗

arXiv2025

Latent Plan Transformer for Trajectory Abstraction: Planning as Latent Space Inference

In tasks aiming for long-term returns, planning becomes essential. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent variable to connect a Transformer-based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs. In learning, posterior sampling of the latent variable naturally integrates sub-trajectories to form a consistent abstraction despite the finite context. At test time, the latent variable is inferred from an expected return before policy execution, realizing the idea of planning as inference. Our experiments demonstrate that LPT can discover improved decisions from sub-optimal trajectories, achieving competitive performance across several benchmarks, including Gym-Mujoco, Franka Kitchen, Maze2D, and Connect Four. It exhibits capabilities in nuanced credit assignments, trajectory stitching, and adaptation to environmental contingencies. These results validate that latent variable inference can be a strong alternative to step-wise reward prompting.

cs.LG↗

arXiv2025

DepR: Depth Guided Single-view Scene Reconstruction with Instance-level Diffusion

We propose DepR, a depth-guided single-view scene reconstruction framework that integrates instance-level diffusion within a compositional paradigm. Instead of reconstructing the entire scene holistically, DepR generates individual objects and subsequently composes them into a coherent 3D layout. Unlike previous methods that use depth solely for object layout estimation during inference and therefore fail to fully exploit its rich geometric information, DepR leverages depth throughout both training and inference. Specifically, we introduce depth-guided conditioning to effectively encode shape priors into diffusion models. During inference, depth further guides DDIM sampling and layout optimization, enhancing alignment between the reconstruction and the input image. Despite being trained on limited synthetic data, DepR achieves state-of-the-art performance and demonstrates strong generalization in single-view scene reconstruction, as shown through evaluations on both synthetic and real-world datasets.

cs.CV↗

arXiv2025

SpatialReasoner: Towards Explicit and Generalizable 3D Spatial Reasoning

Despite recent advances on multi-modal models, 3D spatial reasoning remains a challenging task for state-of-the-art open-source and proprietary models. Recent studies explore data-driven approaches and achieve enhanced spatial reasoning performance by fine-tuning models on 3D-related visual question-answering data. However, these methods typically perform spatial reasoning in an implicit manner and often fail on questions that are trivial to humans, even with long chain-of-thought reasoning. In this work, we introduce SpatialReasoner, a novel large vision-language model (LVLM) that addresses 3D spatial reasoning with explicit 3D representations shared between multiple stages--3D perception, computation, and reasoning. Explicit 3D representations provide a coherent interface that supports advanced 3D spatial reasoning and improves the generalization ability to novel question types. Furthermore, by analyzing the explicit 3D representations in multi-step reasoning traces of SpatialReasoner, we study the factual errors and identify key shortcomings of current LVLMs. Results show that our SpatialReasoner achieves improved performance on a variety of spatial reasoning benchmarks, outperforming Gemini 2.0 by 9.2% on 3DSRBench, and generalizes better when evaluating on novel 3D spatial reasoning questions. Our study bridges the 3D parsing capabilities of prior visual foundation models with the powerful reasoning abilities of large language models, opening new directions for 3D spatial reasoning.

cs.CV↗

arXiv2025

OAT-Rephrase: Optimization-Aware Training Data Rephrasing for Zeroth-Order LLM Fine-Tuning

Fine-tuning large language models (LLMs) using zeroth-order optimization (ZO) offers a memory-efficient alternative to gradient-based methods but suffers from slower convergence and unstable optimization due to noisy gradient estimates. This paper introduces OAT-Rephrase, an Optimization-Aware Training data rephrasing strategy that leverages an LLM to rephrase training instances based on its understanding of the ZO dynamics, specifically MeZO, derived directly from its paper. The approach incorporates a dual-stage pipeline featuring a rewriter LLM and a semantic judge, ensuring all rephrasings retain task relevance and logical consistency. Evaluations across five classification tasks and three LLM architectures demonstrate that OAT-Rephrase consistently improves MeZO fine-tuning performance, often narrowing or eliminating the gap with first-order methods. Our findings suggest that optimization-aware rephrasing serves as a reusable and low-overhead enhancement for zeroth-order tuning regimes.

cs.LG↗

arXiv2025

Latent Thought Models with Variational Bayes Inference-Time Computation

We propose a novel class of language models, Latent Thought Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors (inference-time computation), and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional Large Language Models (LLMs), such as the number of iterations in inference-time computation and number of latent thought vectors. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling tasks. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model size, and achieve competitive performance in conditional and unconditional text generation.

cs.CL↗

arXiv2025

Mitigating Non-IID Drift in Zeroth-Order Federated LLM Fine-Tuning with Transferable Sparsity

Federated Learning enables collaborative fine-tuning of Large Language Models (LLMs) across decentralized Non-Independent and Identically Distributed (Non-IID) clients, but such models' massive parameter sizes lead to significant memory and communication challenges. This work introduces Meerkat, a sparse zeroth-order optimization (ZO) method designed for federated LLM fine-tuning. By limiting fine-tuning to a transferable, static, extremely sparse subset of parameters, Meerkat achieves remarkable communication efficiency, enabling cost-effective high-frequency synchronization. With theoretical analysis and experiments, we show that this high-frequency communication effectively mitigates Non-IID data challenges and leads to superior performance compared to full-parameter ZO. Furthermore, experiment results show that Meerkat outperforms existing sparsity baselines with better performance at the same communication frequency. To further handle Non-IID drift, Meerkat leverages traceable local updates and forms a virtual path for each client. This virtual path mechanism reveals the GradIP phenomenon: the inner products between LLM pre-training gradients maintained by server and client gradients estimated via ZO converges for extreme Non-IID clients but oscillates for IID ones. This distinct behavior provides a signal for identifying clients with extreme data heterogeneity. Using this signal, Meerkat-vp is proposed to analyze GradIP trajectories to identify extreme Non-IID clients and applies early stopping to enhance aggregated model quality. Experiments confirm that Meerkat and Meerkat-vp significantly improve the efficiency and effectiveness of ZO federated LLM fine-tuning.

cs.LG↗

arXiv2025

A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures

Machine learning interatomic potentials (MLIPs) can predict energy, force, and stress of materials and enable a wide range of downstream discovery tasks. A key design choice in MLIPs involves the trade-off between invariant and equivariant architectures. Invariant models offer computational efficiency but may not perform as well, especially when predicting high-order outputs. In contrast, equivariant models can capture high-order symmetries, but are computationally expensive. In this work, we propose HIENet, a hybrid invariant-equivariant materials interatomic potential model that integrates both invariant and equivariant message passing layers, while provably satisfying key physical constraints. HIENet achieves state-of-the-art performance with considerable computational speedups over prior models. Experimental results on both common benchmarks and downstream materials discovery tasks demonstrate the efficiency and effectiveness of HIENet.

cs.LG↗

arXiv2025

Video-MMLU: A Massive Multi-Discipline Lecture Understanding Benchmark

Recent advancements in language multimodal models (LMMs) for video have demonstrated their potential for understanding video content, yet the task of comprehending multi-discipline lectures remains largely unexplored. We introduce Video-MMLU, a massive benchmark designed to evaluate the capabilities of LMMs in understanding Multi-Discipline Lectures. We evaluate over 90 open-source and proprietary models, ranging from 0.5B to 40B parameters. Our results highlight the limitations of current models in addressing the cognitive challenges presented by these lectures, especially in tasks requiring both perception and reasoning. Additionally, we explore how the number of visual tokens and the large language models influence performance, offering insights into the interplay between multimodal perception and reasoning in lecture comprehension.

cs.CV↗

arXiv2025

Latent Space Energy-based Neural ODEs

This paper introduces novel deep dynamical models designed to represent continuous-time sequences. Our approach employs a neural emission model to generate each data point in the time series through a non-linear transformation of a latent state vector. The evolution of these latent states is implicitly defined by a neural ordinary differential equation (ODE), with the initial state drawn from an informative prior distribution parameterized by an Energy-based model (EBM). This framework is extended to disentangle dynamic states from underlying static factors of variation, represented as time-invariant variables in the latent space. We train the model using maximum likelihood estimation with Markov chain Monte Carlo (MCMC) in an end-to-end manner. Experimental results on oscillating systems, videos and real-world state sequences (MuJoCo) demonstrate that our model with the learnable energy-based prior outperforms existing counterparts, and can generalize to new dynamic parameterization, enabling long-horizon predictions.

cs.LG↗

arXiv2024

Learning Energy-Based Models by Cooperative Diffusion Recovery Likelihood

Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To close this gap, inspired by the recent efforts of learning EBMs by maximizing diffusion recovery likelihood (DRL), we propose cooperative diffusion recovery likelihood (CDRL), an effective approach to tractably learn and sample from a series of EBMs defined on increasingly noisy versions of a dataset, paired with an initializer model for each EBM. At each noise level, the two models are jointly estimated within a cooperative training framework: samples from the initializer serve as starting points that are refined by a few MCMC sampling steps from the EBM. The EBM is then optimized by maximizing recovery likelihood, while the initializer model is optimized by learning from the difference between the refined samples and the initial samples. In addition, we made several practical designs for EBM training to further improve the sample quality. Combining these advances, our approach significantly boost the generation performance compared to existing EBM methods on CIFAR-10 and ImageNet datasets. We also demonstrate the effectiveness of our models for several downstream tasks, including classifier-free guided generation, compositional generation, image inpainting and out-of-distribution detection.

stat.ML↗

arXiv2024

Molecule Design by Latent Prompt Transformer

This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables. We propose the Latent Prompt Transformer (LPT), a novel generative model comprising three components: (1) a latent vector with a learnable prior distribution modeled by a neural transformation of Gaussian white noise; (2) a molecule generation model based on a causal Transformer, which uses the latent vector as a prompt; and (3) a property prediction model that predicts a molecule's target properties and/or constraint values using the latent prompt. LPT can be learned by maximum likelihood estimation on molecule-property pairs. During property optimization, the latent prompt is inferred from target properties and constraints through posterior sampling and then used to guide the autoregressive molecule generation. After initial training on existing molecules and their properties, we adopt an online learning algorithm to progressively shift the model distribution towards regions that support desired target properties. Experiments demonstrate that LPT not only effectively discovers useful molecules across single-objective, multi-objective, and structure-constrained optimization tasks, but also exhibits strong sample efficiency.

cs.LG↗

arXiv2024

CoopHash: Cooperative Learning of Multipurpose Descriptor and Contrastive Pair Generator via Variational MCMC Teaching for Supervised Image Hashing

Leveraging supervised information can lead to superior retrieval performance in the image hashing domain but the performance degrades significantly without enough labeled data. One effective solution to boost performance is to employ generative models, such as Generative Adversarial Networks (GANs), to generate synthetic data in an image hashing model. However, GAN-based methods are difficult to train, which prevents the hashing approaches from jointly training the generative models and the hash functions. This limitation results in sub-optimal retrieval performance. To overcome this limitation, we propose a novel framework, the generative cooperative hashing network, which is based on energy-based cooperative learning. This framework jointly learns a powerful generative representation of the data and a robust hash function via two components: a top-down contrastive pair generator that synthesizes contrastive images and a bottom-up multipurpose descriptor that simultaneously represents the images from multiple perspectives, including probability density, hash code, latent code, and category. The two components are jointly learned via a novel likelihood-based cooperative learning scheme. We conduct experiments on several real-world datasets and show that the proposed method outperforms the competing hashing supervised methods, achieving up to 10\% relative improvement over the current state-of-the-art supervised hashing methods, and exhibits a significantly better performance in out-of-distribution retrieval.

cs.CV↗

arXiv2024

Molecule Design by Latent Prompt Transformer

This paper proposes a latent prompt Transformer model for solving challenging optimization problems such as molecule design, where the goal is to find molecules with optimal values of a target chemical or biological property that can be computed by an existing software. Our proposed model consists of three components. (1) A latent vector whose prior distribution is modeled by a Unet transformation of a Gaussian white noise vector. (2) A molecule generation model that generates the string-based representation of molecule conditional on the latent vector in (1). We adopt the causal Transformer model that takes the latent vector in (1) as prompt. (3) A property prediction model that predicts the value of the target property of a molecule based on a non-linear regression on the latent vector in (1). We call the proposed model the latent prompt Transformer model. After initial training of the model on existing molecules and their property values, we then gradually shift the model distribution towards the region that supports desired values of the target property for the purpose of molecule design. Our experiments show that our proposed model achieves state of the art performances on several benchmark molecule design tasks.

cs.LG↗