Neural MJD: Neural Non-Stationary Merton Jump Diffusion for Time Series Prediction

While deep learning methods have achieved strong performance in time series prediction, their black-box nature and inability to explicitly model underlying stochastic processes often limit their generalization to non-stationary data, especially in the presence of abrupt changes. In this work, we introduce Neural MJD, a neural network based non-stationary Merton jump diffusion (MJD) model. Our model explicitly formulates forecasting as a stochastic differential equation (SDE) simulation problem, combining a time-inhomogeneous It\^o diffusion to capture non-stationary stochastic dynamics with a time-inhomogeneous compound Poisson process to model abrupt jumps. To enable tractable learning, we introduce a likelihood truncation mechanism that caps the number of jumps within small time intervals and provide a theoretical error bound for this approximation. Additionally, we propose an Euler-Maruyama with restart solver, which achieves a provably lower error bound in estimating expected states and reduced variance compared to the standard solver. Experiments on both synthetic and real-world datasets demonstrate that Neural MJD consistently outperforms state-of-the-art deep learning and statistical learning methods.

RETRO SYNFLOW: Discrete Flow Matching for Accurate and Diverse Single-Step Retrosynthesis

A fundamental problem in organic chemistry is identifying and predicting the series of reactions that synthesize a desired target product molecule. Due to the combinatorial nature of the chemical search space, single-step reactant prediction -- i.e. single-step retrosynthesis -- remains challenging even for existing state-of-the-art template-free generative approaches to produce an accurate yet diverse set of feasible reactions. In this paper, we model single-step retrosynthesis planning and introduce RETRO SYNFLOW (RSF) a discrete flow-matching framework that builds a Markov bridge between the prescribed target product molecule and the reactant molecule. In contrast to past approaches, RSF employs a reaction center identification step to produce intermediate structures known as synthons as a more informative source distribution for the discrete flow. To further enhance diversity and feasibility of generated samples, we employ Feynman-Kac steering with Sequential Monte Carlo based resampling to steer promising generations at inference using a new reward oracle that relies on a forward-synthesis model. Empirically, we demonstrate \nameshort achieves $60.0 \%$ top-1 accuracy, which outperforms the previous SOTA by $20 \%$. We also substantiate the benefits of steering at inference and demonstrate that FK-steering improves top-$5$ round-trip accuracy by $19 \%$ over prior template-free SOTA methods, all while preserving competitive top-$k$ accuracy results.

UniEdit-Flow: Unleashing Inversion and Editing in the Era of Flow Models

Flow matching models have emerged as a strong alternative to diffusion models, but existing inversion and editing methods designed for diffusion are often ineffective or inapplicable to them. The straight-line, non-crossing trajectories of flow models pose challenges for diffusion-based approaches but also open avenues for novel solutions. In this paper, we introduce a predictor-corrector-based framework for inversion and editing in flow models. First, we propose Uni-Inv, an effective inversion method designed for accurate reconstruction. Building on this, we extend the concept of delayed injection to flow models and introduce Uni-Edit, a region-aware, robust image editing approach. Our methodology is tuning-free, model-agnostic, efficient, and effective, enabling diverse edits while ensuring strong preservation of edit-irrelevant regions. Extensive experiments across various generative models demonstrate the superiority and generalizability of Uni-Inv and Uni-Edit, even under low-cost settings. Project page: https://uniedit-flow.github.io/

Leveraging MoE-based Large Language Model for Zero-Shot Multi-Task Semantic Communication

Multi-task semantic communication (SC) can reduce the computational resources in wireless systems since retraining is not required when switching between tasks. However, existing approaches typically rely on task-specific embeddings to identify the intended task, necessitating retraining the entire model when given a new task. Consequently, this drives the need for a multi-task SC system that can handle new tasks without additional training, known as zero-shot learning. Inspired by the superior zero-shot capabilities of large language models (LLMs), we leverage pre-trained instruction-tuned LLMs, referred to as fine-tuned language net (FLAN), to improve the generalization capability. We incorporate a mixture-of-experts (MoE) architecture in the FLAN model and propose MoE-FLAN-SC architecture for multi-task SC systems. Our proposed MoE-FLAN-SC architecture can further improve the performance of FLAN-T5 model without increasing the computational cost. Moreover, we design a multi-task feature extraction module (FEM) which can adaptively extract relevant features across various tasks given the provided features and signal-to-noise ratio (SNR). Simulation results show that our proposed MoE-FLAN-SC architecture outperforms three state-of-the-art models in terms of the average accuracy on four different unseen tasks.

QDM: Quadtree-Based Region-Adaptive Sparse Diffusion Models for Efficient Image Super-Resolution

Deep learning-based super-resolution (SR) methods often perform pixel-wise computations uniformly across entire images, even in homogeneous regions where high-resolution refinement is redundant. We propose the Quadtree Diffusion Model (QDM), a region-adaptive diffusion framework that leverages a quadtree structure to selectively enhance detail-rich regions while reducing computations in homogeneous areas. By guiding the diffusion with a quadtree derived from the low-quality input, QDM identifies key regions-represented by leaf nodes-where fine detail is essential and applies minimal refinement elsewhere. This mask-guided, two-stream architecture adaptively balances quality and efficiency, producing high-fidelity outputs with low computational redundancy. Experiments demonstrate QDM's effectiveness in high-resolution SR tasks across diverse image types, particularly in medical imaging (e.g., CT scans), where large homogeneous regions are prevalent. Furthermore, QDM outperforms or is comparable to state-of-the-art SR methods on standard benchmarks while significantly reducing computational costs, highlighting its efficiency and suitability for resource-limited environments. Our code is available at https://github.com/linYDTHU/QDM.

MoFlow: One-Step Flow Matching for Human Trajectory Forecasting via Implicit Maximum Likelihood Estimation based Distillation

In this paper, we address the problem of human trajectory forecasting, which aims to predict the inherently multi-modal future movements of humans based on their past trajectories and other contextual cues. We propose a novel motion prediction conditional flow matching model, termed MoFlow, to predict K-shot future trajectories for all agents in a given scene. We design a novel flow matching loss function that not only ensures at least one of the $K$ sets of future trajectories is accurate but also encourages all $K$ sets of future trajectories to be diverse and plausible. Furthermore, by leveraging the implicit maximum likelihood estimation (IMLE), we propose a novel distillation method for flow models that only requires samples from the teacher model. Extensive experiments on the real-world datasets, including SportVU NBA games, ETH-UCY, and SDD, demonstrate that both our teacher flow model and the IMLE-distilled student model achieve state-of-the-art performance. These models can generate diverse trajectories that are physically and socially plausible. Moreover, our one-step student model is $\textbf{100}$ times faster than the teacher flow model during sampling. The code, model, and data are available at our project page: https://moflow-imle.github.io

Leveraging Online Olympiad-Level Math Problems for LLMs Training and Contamination-Resistant Evaluation

Advances in Large Language Models (LLMs) have sparked interest in their ability to solve Olympiad-level math problems. However, the training and evaluation of these models are constrained by the limited size and quality of available datasets, as creating large-scale data for such advanced problems requires extensive effort from human experts. In addition, current benchmarks are prone to contamination, leading to unreliable evaluations. In this paper, we present an automated pipeline that leverages the rich resources of the Art of Problem Solving (AoPS) forum, which predominantly features Olympiad-level problems and community-driven solutions. Using open-source LLMs, we develop a method to extract question-answer pairs from the forum, resulting in AoPS-Instruct, a dataset of more than 600,000 high-quality QA pairs. Our experiments demonstrate that fine-tuning LLMs on AoPS-Instruct improves their reasoning abilities across various benchmarks. Moreover, we build an automatic pipeline that introduces LiveAoPSBench, an evolving evaluation set with timestamps, derived from the latest forum data, providing a contamination-resistant benchmark for assessing LLM performance. Notably, we observe a significant decline in LLM performance over time, suggesting their success on older examples may stem from pre-training exposure rather than true reasoning ability. Our work presents a scalable approach to creating and maintaining large-scale, high-quality datasets for advanced math reasoning, offering valuable insights into the capabilities and limitations of LLMs in this domain. Our benchmark and code is available at https://github.com/DSL-Lab/aops

Multi-scale Latent Point Consistency Models for 3D Shape Generation

Consistency Models (CMs) have significantly accelerated the sampling process in diffusion models, yielding impressive results in synthesizing high-resolution images. To explore and extend these advancements to point-cloud-based 3D shape generation, we propose a novel Multi-scale Latent Point Consistency Model (MLPCM). Our MLPCM follows a latent diffusion framework and introduces hierarchical levels of latent representations, ranging from point-level to super-point levels, each corresponding to a different spatial resolution. We design a multi-scale latent integration module along with 3D spatial attention to effectively denoise the point-level latent representations conditioned on those from multiple super-point levels. Additionally, we propose a latent consistency model, learned through consistency distillation, that compresses the prior into a one-step generator. This significantly improves sampling efficiency while preserving the performance of the original teacher model. Extensive experiments on standard benchmarks ShapeNet and ShapeNet-Vol demonstrate that MLPCM achieves a 100x speedup in the generation process, while surpassing state-of-the-art diffusion models in terms of both shape quality and diversity.

From Graph Diffusion to Graph Classification

Generative models such as diffusion models have achieved remarkable success in state-of-the-art image and text tasks. Recently, score-based diffusion models have extended their success beyond image generation, showing competitive performance with discriminative methods in image {\em classification} tasks~\cite{zimmermann2021score}. However, their application to classification in the {\em graph} domain, which presents unique challenges such as complex topologies, remains underexplored. We show how graph diffusion models can be applied for graph classification. We find that to achieve competitive classification accuracy, score-based graph diffusion models should be trained with a novel training objective that is tailored to graph classification. In experiments with a sampling-based inference method, our discriminative training objective achieves state-of-the-art graph classification accuracy.

SymmetricDiffusers: Learning Discrete Diffusion on Finite Symmetric Groups

Finite symmetric groups $S_n$ are essential in fields such as combinatorics, physics, and chemistry. However, learning a probability distribution over $S_n$ poses significant challenges due to its intractable size and discrete nature. In this paper, we introduce SymmetricDiffusers, a novel discrete diffusion model that simplifies the task of learning a complicated distribution over $S_n$ by decomposing it into learning simpler transitions of the reverse diffusion using deep neural networks. We identify the riffle shuffle as an effective forward transition and provide empirical guidelines for selecting the diffusion length based on the theory of random walks on finite groups. Additionally, we propose a generalized Plackett-Luce (PL) distribution for the reverse transition, which is provably more expressive than the PL distribution. We further introduce a theoretically grounded "denoising schedule" to improve sampling and learning efficiency. Extensive experiments show that our model achieves state-of-the-art or comparable performances on solving tasks including sorting 4-digit MNIST images, jigsaw puzzles, and traveling salesman problems. Our code is released at https://github.com/NickZhang53/SymmetricDiffusers.