Yuyang Wang

Oleksandr Shchur, Caner Turkmen, Nick Erickson et al. · amazon-science

We introduce AutoGluon-TimeSeries - an open-source AutoML library for probabilistic time series forecasting. Focused on ease of use and robustness, AutoGluon-TimeSeries enables users to generate accurate point and quantile forecasts with just 3 lines of Python code. Built on the design philosophy of AutoGluon, AutoGluon-TimeSeries leverages ensembles of diverse forecasting models to deliver high accuracy within a short training time. AutoGluon-TimeSeries combines both conventional statistical models, machine-learning based forecasting approaches, and ensembling techniques. In our evaluation on 29 benchmark datasets, AutoGluon-TimeSeries demonstrates strong empirical performance, outperforming a range of forecasting methods in terms of both point and quantile forecast accuracy, and often even improving upon the best-in-hindsight combination of prior methods.

Andrej Tschalzev, Nick Erickson, Yuyang Wang et al.

Progress in tabular machine learning has largely focused on increasingly sophisticated model architectures. At the same time, feature engineering remains a critical yet underexplored component of real-world modeling pipelines that is entirely absent from modern benchmarks, which creates an unquantified evaluation gap. In this work, we introduce TabPrep, a lightweight preprocessing pipeline composed of feature generators that are carefully designed to target three specific structural data patterns. We show that many widely used model classes exhibit predictable blind spots to these patterns and that systematic feature engineering alone can establish new peak performance. Across the TabArena benchmark, integrating TabPrep into model training and tuning consistently improves performance for tree-based, neural, linear, and foundation models, often surpassing gains achieved by model-centric innovations alone. TabPrep outperforms previous automated feature engineering approaches in performance, efficiency, and applicability across datasets, enabling integration into large-scale benchmarks. By releasing TabPrep (see https://github.com/atschalz/tabprep), we enable researchers to integrate feature engineering into their benchmarking setup, filling a longstanding gap in tabular evaluations.

Zhihan Gao, Xingjian Shi, Hao Wang et al.

Conventionally, Earth system (e.g., weather and climate) forecasting relies on numerical simulation with complex physical models and are hence both expensive in computation and demanding on domain expertise. With the explosive growth of the spatiotemporal Earth observation data in the past decade, data-driven models that apply Deep Learning (DL) are demonstrating impressive potential for various Earth system forecasting tasks. The Transformer as an emerging DL architecture, despite its broad success in other domains, has limited adoption in this area. In this paper, we propose Earthformer, a space-time Transformer for Earth system forecasting. Earthformer is based on a generic, flexible and efficient space-time attention block, named Cuboid Attention. The idea is to decompose the data into cuboids and apply cuboid-level self-attention in parallel. These cuboids are further connected with a collection of global vectors. We conduct experiments on the MovingMNIST dataset and a newly proposed chaotic N-body MNIST dataset to verify the effectiveness of cuboid attention and figure out the best design of Earthformer. Experiments on two real-world benchmarks about precipitation nowcasting and El Nino/Southern Oscillation (ENSO) forecasting show Earthformer achieves state-of-the-art performance. Code is available: https://github.com/amazon-science/earth-forecasting-transformer .

Zhihan Gao, Xingjian Shi, Boran Han et al. · amazon-science

Earth system forecasting has traditionally relied on complex physical models that are computationally expensive and require significant domain expertise. In the past decade, the unprecedented increase in spatiotemporal Earth observation data has enabled data-driven forecasting models using deep learning techniques. These models have shown promise for diverse Earth system forecasting tasks but either struggle with handling uncertainty or neglect domain-specific prior knowledge, resulting in averaging possible futures to blurred forecasts or generating physically implausible predictions. To address these limitations, we propose a two-stage pipeline for probabilistic spatiotemporal forecasting: 1) We develop PreDiff, a conditional latent diffusion model capable of probabilistic forecasts. 2) We incorporate an explicit knowledge alignment mechanism to align forecasts with domain-specific physical constraints. This is achieved by estimating the deviation from imposed constraints at each denoising step and adjusting the transition distribution accordingly. We conduct empirical studies on two datasets: N-body MNIST, a synthetic dataset with chaotic behavior, and SEVIR, a real-world precipitation nowcasting dataset. Specifically, we impose the law of conservation of energy in N-body MNIST and anticipated precipitation intensity in SEVIR. Experiments demonstrate the effectiveness of PreDiff in handling uncertainty, incorporating domain-specific prior knowledge, and generating forecasts that exhibit high operational utility.

Tim Januschowski, Jan Gasthaus, Yuyang Wang et al. · amazon-science

Classifying forecasting methods as being either of a "machine learning" or "statistical" nature has become commonplace in parts of the forecasting literature and community, as exemplified by the M4 competition and the conclusion drawn by the organizers. We argue that this distinction does not stem from fundamental differences in the methods assigned to either class. Instead, this distinction is probably of a tribal nature, which limits the insights into the appropriateness and effectiveness of different forecasting methods. We provide alternative characteristics of forecasting methods which, in our view, allow to draw meaningful conclusions. Further, we discuss areas of forecasting which could benefit most from cross-pollination between the ML and the statistics communities.

Alan Edelman, Ekin Akyurek, Yuyang Wang · amazon-science, mit

We present a linear algebra formulation of backpropagation which allows the calculation of gradients by using a generically written ``backslash'' or Gaussian elimination on triangular systems of equations. Generally, the matrix elements are operators. This paper has three contributions: (i) it is of intellectual value to replace traditional treatments of automatic differentiation with a (left acting) operator theoretic, graph-based approach; (ii) operators can be readily placed in matrices in software in programming languages such as Julia as an implementation option; (iii) we introduce a novel notation, ``transpose dot'' operator ``$\{\}^{T_\bullet}$'' that allows for the reversal of operators. We further demonstrate the elegance of the operators approach in a suitable programming language consisting of generic linear algebra operators such as Julia \cite{bezanson2017julia}, and that it is possible to realize this abstraction in code. Our implementation shows how generic linear algebra can allow operators as elements of matrices. In contrast to ``operator overloading,'' where backslash would normally have to be rewritten to take advantage of operators, with ``generic programming'' there is no such need.

Changwen Xu, Yuyang Wang, Amir Barati Farimani

Accurate and efficient prediction of polymer properties is of great significance in polymer design. Conventionally, expensive and time-consuming experiments or simulations are required to evaluate polymer functions. Recently, Transformer models, equipped with self-attention mechanisms, have exhibited superior performance in natural language processing. However, such methods have not been investigated in polymer sciences. Herein, we report TransPolymer, a Transformer-based language model for polymer property prediction. Our proposed polymer tokenizer with chemical awareness enables learning representations from polymer sequences. Rigorous experiments on ten polymer property prediction benchmarks demonstrate the superior performance of TransPolymer. Moreover, we show that TransPolymer benefits from pretraining on large unlabeled dataset via Masked Language Modeling. Experimental results further manifest the important role of self-attention in modeling polymer sequences. We highlight this model as a promising computational tool for promoting rational polymer design and understanding structure-property relationships from a data science view.

Zhonglin Cao, Rishikesh Magar, Yuyang Wang et al.

Metal-Organic Frameworks (MOFs) are materials with a high degree of porosity that can be used for applications in energy storage, water desalination, gas storage, and gas separation. However, the chemical space of MOFs is close to an infinite size due to the large variety of possible combinations of building blocks and topology. Discovering the optimal MOFs for specific applications requires an efficient and accurate search over an enormous number of potential candidates. Previous high-throughput screening methods using computational simulations like DFT can be time-consuming. Such methods also require optimizing 3D atomic structure of MOFs, which adds one extra step when evaluating hypothetical MOFs. In this work, we propose a structure-agnostic deep learning method based on the Transformer model, named as MOFormer, for property predictions of MOFs. The MOFormer takes a text string representation of MOF (MOFid) as input, thus circumventing the need of obtaining the 3D structure of hypothetical MOF and accelerating the screening process. Furthermore, we introduce a self-supervised learning framework that pretrains the MOFormer via maximizing the cross-correlation between its structure-agnostic representations and structure-based representations of crystal graph convolutional neural network (CGCNN) on >400k publicly available MOF data. Using self-supervised learning allows the MOFormer to intrinsically learn 3D structural information though it is not included in the input. Experiments show that pretraining improved the prediction accuracy of both models on various downstream prediction tasks. Furthermore, we revealed that MOFormer can be more data-efficient on quantum-chemical property prediction than structure-based CGCNN when training data is limited. Overall, MOFormer provides a novel perspective on efficient MOF design using deep learning.

Richard Kurle, Ralf Herbrich, Tim Januschowski et al. · amazon-science

Variational Bayesian posterior inference often requires simplifying approximations such as mean-field parametrisation to ensure tractability. However, prior work has associated the variational mean-field approximation for Bayesian neural networks with underfitting in the case of small datasets or large model sizes. In this work, we show that invariances in the likelihood function of over-parametrised models contribute to this phenomenon because these invariances complicate the structure of the posterior by introducing discrete and/or continuous modes which cannot be well approximated by Gaussian mean-field distributions. In particular, we show that the mean-field approximation has an additional gap in the evidence lower bound compared to a purpose-built posterior that takes into account the known invariances. Importantly, this invariance gap is not constant; it vanishes as the approximation reverts to the prior. We proceed by first considering translation invariances in a linear model with a single data point in detail. We show that, while the true posterior can be constructed from a mean-field parametrisation, this is achieved only if the objective function takes into account the invariance gap. Then, we transfer our analysis of the linear model to neural networks. Our analysis provides a framework for future work to explore solutions to the invariance problem.

Yuyang Wang, Ahmed A. Elhag, Navdeep Jaitly et al.

We present a novel way to predict molecular conformers through a simple formulation that sidesteps many of the heuristics of prior works and achieves state of the art results by using the advantages of scale. By training a diffusion generative model directly on 3D atomic positions without making assumptions about the explicit structure of molecules (e.g. modeling torsional angles) we are able to radically simplify structure learning, and make it trivial to scale up the model sizes. This model, called Molecular Conformer Fields (MCF), works by parameterizing conformer structures as functions that map elements from a molecular graph directly to their 3D location in space. This formulation allows us to boil down the essence of structure prediction to learning a distribution over functions. Experimental results show that scaling up the model capacity leads to large gains in generalization performance without enforcing inductive biases like rotational equivariance. MCF represents an advance in extending diffusion models to handle complex scientific problems in a conceptually simple, scalable and effective manner.

Matthias Karlbauer, Danielle C. Maddix, Abdul Fatir Ansari et al.

A large number of Deep Learning Weather Prediction (DLWP) architectures -- based on various backbones, including U-Net, Transformer, Graph Neural Network, and Fourier Neural Operator (FNO) -- have demonstrated their potential at forecasting atmospheric states. However, due to differences in training protocols, forecast horizons, and data choices, it remains unclear which (if any) of these methods and architectures are most suitable for weather forecasting and for future model development. Here, we step back and provide a detailed empirical analysis, under controlled conditions, comparing and contrasting the most prominent DLWP models, along with their backbones. We accomplish this by predicting synthetic two-dimensional incompressible Navier-Stokes and real-world global weather dynamics. On synthetic data, we observe favorable performance of FNO, while on the real-world WeatherBench dataset, our results demonstrate the suitability of ConvLSTM and SwinTransformer for short-to-mid-ranged forecasts. For long-ranged weather rollouts of up to 50 years, we observe superior stability and physical soundness in architectures that formulate a spherical data representation, i.e., GraphCast and Spherical FNO. The code is available at https://github.com/amazon-science/dlwp-benchmark.

Yuyang Wang, Zijie Li, Amir Barati Farimani

Graph neural networks (GNNs), which are capable of learning representations from graphical data, are naturally suitable for modeling molecular systems. This review introduces GNNs and their various applications for small organic molecules. GNNs rely on message-passing operations, a generic yet powerful framework, to update node features iteratively. Many researches design GNN architectures to effectively learn topological information of 2D molecule graphs as well as geometric information of 3D molecular systems. GNNs have been implemented in a wide variety of molecular applications, including molecular property prediction, molecular scoring and docking, molecular optimization and de novo generation, molecular dynamics simulation, etc. Besides, the review also summarizes the recent development of self-supervised learning for molecules with GNNs.

Xiyuan Zhang, Xiaoyong Jin, Karthick Gopalswamy et al.

Transformer-based models have gained large popularity and demonstrated promising results in long-term time-series forecasting in recent years. In addition to learning attention in time domain, recent works also explore learning attention in frequency domains (e.g., Fourier domain, wavelet domain), given that seasonal patterns can be better captured in these domains. In this work, we seek to understand the relationships between attention models in different time and frequency domains. Theoretically, we show that attention models in different domains are equivalent under linear conditions (i.e., linear kernel to attention scores). Empirically, we analyze how attention models of different domains show different behaviors through various synthetic experiments with seasonality, trend and noise, with emphasis on the role of softmax operation therein. Both these theoretical and empirical analyses motivate us to propose a new method: TDformer (Trend Decomposition Transformer), that first applies seasonal-trend decomposition, and then additively combines an MLP which predicts the trend component with Fourier attention which predicts the seasonal component to obtain the final prediction. Extensive experiments on benchmark time-series forecasting datasets demonstrate that TDformer achieves state-of-the-art performance against existing attention-based models.

Yuyang Wang, Changwen Xu, Zijie Li et al.

Recent advances in equivariant graph neural networks (GNNs) have made deep learning amenable to developing fast surrogate models to expensive ab initio quantum mechanics (QM) approaches for molecular potential predictions. However, building accurate and transferable potential models using GNNs remains challenging, as the data is greatly limited by the expensive computational costs and level of theory of QM methods, especially for large and complex molecular systems. In this work, we propose denoise pretraining on nonequilibrium molecular conformations to achieve more accurate and transferable GNN potential predictions. Specifically, atomic coordinates of sampled nonequilibrium conformations are perturbed by random noises and GNNs are pretrained to denoise the perturbed molecular conformations which recovers the original coordinates. Rigorous experiments on multiple benchmarks reveal that pretraining significantly improves the accuracy of neural potentials. Furthermore, we show that the proposed pretraining approach is model-agnostic, as it improves the performance of different invariant and equivariant GNNs. Notably, our models pretrained on small molecules demonstrate remarkable transferability, improving performance when fine-tuned on diverse molecular systems, including different elements, charged molecules, biomolecules, and larger systems. These results highlight the potential for leveraging denoise pretraining approaches to build more generalizable neural potentials for complex molecular systems.

Rishikesh Magar, Yuyang Wang, Amir Barati Farimani

Machine learning (ML) models have been widely successful in the prediction of material properties. However, large labeled datasets required for training accurate ML models are elusive and computationally expensive to generate. Recent advances in Self-Supervised Learning (SSL) frameworks capable of training ML models on unlabeled data have mitigated this problem and demonstrated superior performance in computer vision and natural language processing tasks. Drawing inspiration from the developments in SSL, we introduce Crystal Twins (CT): an SSL method for crystalline materials property prediction. Using a large unlabeled dataset, we pre-train a Graph Neural Network (GNN) by applying the redundancy reduction principle to the graph latent embeddings of augmented instances obtained from the same crystalline system. By sharing the pre-trained weights when fine-tuning the GNN for regression tasks, we significantly improve the performance for 7 challenging material property prediction benchmarks

Yue Jian, Yuyang Wang, Amir Barati Farimani

Ionic Liquids (ILs) provide a promising solution for CO$_2$ capture and storage to mitigate global warming. However, identifying and designing the high-capacity IL from the giant chemical space requires expensive, and exhaustive simulations and experiments. Machine learning (ML) can accelerate the process of searching for desirable ionic molecules through accurate and efficient property predictions in a data-driven manner. But existing descriptors and ML models for the ionic molecule suffer from the inefficient adaptation of molecular graph structure. Besides, few works have investigated the explainability of ML models to help understand the learned features that can guide the design of efficient ionic molecules. In this work, we develop both fingerprint-based ML models and Graph Neural Networks (GNNs) to predict the CO$_2$ absorption in ILs. Fingerprint works on graph structure at the feature extraction stage, while GNNs directly handle molecule structure in both the feature extraction and model prediction stage. We show that our method outperforms previous ML models by reaching a high accuracy (MAE of 0.0137, $R^2$ of 0.9884). Furthermore, we take the advantage of GNNs feature representation and develop a substructure-based explanation method that provides insight into how each chemical fragments within IL molecules contribute to the CO$_2$ absorption prediction of ML models. We also show that our explanation result agrees with some ground truth from the theoretical reaction mechanism of CO$_2$ absorption in ILs, which can advise on the design of novel and efficient functional ILs in the future.

Panyu Jiao, Shuizhou Chen, Yiheng Shen et al.

Message-passing neural networks (MPNNs) are widely used for molecular property prediction, but their deployment as monolithic architectures makes it difficult to identify how specific message-passing operators affect performance. We present an operator-level factorial benchmark that decomposes 2D molecular MPNNs into the three families of message-seed initialization, node-edge fusion, and node update operators. The resulting 84 configurations are benchmarked on ten MoleculeNet datasets under a shared experimental setup and statistical analysis protocol. Across this controlled design, performance variation is associated primarily with message construction rather than update complexity. Message-seed initialization shows significant family-level effects for both regression and classification, node-edge fusion shows a significant family-level effect for regression with descriptive advantages for concatenation-based mixing, and the update family shows no statistically supported effect for either endpoint family. A representation probe into the Quinethazone molecule further demonstrates that concatenation-based mixing can better differentiate chemically distinct heteroatoms and withstand oversmoothing than Hadamard gating. Representative configurations selected separately for classification and regression recover competitive performance relative to established molecular graph neural network (GNN) baselines, ranking numerically best on eight of ten benchmark datasets. These empirical results are interpreted through concise mechanistic analyses of representative node-edge fusion and update operators. Our findings provide empirical design heuristics for molecular MPNNs by turning model design from a search over monolithic architectures into a targeted assessment of where and how chemical information enters the message-passing pipeline.

Lei Xiong, Kun Luo, Ziyi Xia et al.

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to acquire evidence for verifying assumptions and supporting claims. To assess AI agents' capability in driving this process, we present AutoResearchBench, a dedicated benchmark for autonomous scientific literature discovery. AutoResearchBench consists of two complementary task types: (1) Deep Research, which requires tracking down a specific target paper through a progressive, multi-step probing process, and (2) Wide Research, which requires comprehensively collecting a set of papers satisfying given conditions. Compared to previous benchmarks on agentic web browsing, AutoResearchBench is distinguished along three dimensions: it is research-oriented, calling for in-depth comprehension of scientific concepts; literature-focused, demanding fine-grained utilization of detailed information; and open-ended, involving an unknown number of qualified papers and thus requiring deliberate reasoning and search throughout. These properties make AutoResearchBench uniquely suited for evaluating autonomous research capabilities, and extraordinarily challenging. Even the most powerful LLMs, despite having largely conquered general agentic web-browsing benchmarks such as BrowseComp, achieve only 9.39% accuracy on Deep Research and 9.31% IoU on Wide Research, while many other strong baselines fall below 5%. We publicly release the dataset and evaluation pipeline to facilitate future research in this direction. We publicly release the dataset, evaluation pipeline, and code at https://github.com/CherYou/AutoResearchBench.

Marcel Kollovieh, Abdul Fatir Ansari, Michael Bohlke-Schneider et al.

Diffusion models have achieved state-of-the-art performance in generative modeling tasks across various domains. Prior works on time series diffusion models have primarily focused on developing conditional models tailored to specific forecasting or imputation tasks. In this work, we explore the potential of task-agnostic, unconditional diffusion models for several time series applications. We propose TSDiff, an unconditionally-trained diffusion model for time series. Our proposed self-guidance mechanism enables conditioning TSDiff for downstream tasks during inference, without requiring auxiliary networks or altering the training procedure. We demonstrate the effectiveness of our method on three different time series tasks: forecasting, refinement, and synthetic data generation. First, we show that TSDiff is competitive with several task-specific conditional forecasting methods (predict). Second, we leverage the learned implicit probability density of TSDiff to iteratively refine the predictions of base forecasters with reduced computational overhead over reverse diffusion (refine). Notably, the generative performance of the model remains intact -- downstream forecasters trained on synthetic samples from TSDiff outperform forecasters that are trained on samples from other state-of-the-art generative time series models, occasionally even outperforming models trained on real data (synthesize).

Zhonglin Cao, Yuyang Wang, Cooper Lorsung et al.

Modeling the ion concentration profile in nanochannel plays an important role in understanding the electrical double layer and electroosmotic flow. Due to the non-negligible surface interaction and the effect of discrete solvent molecules, molecular dynamics (MD) simulation is often used as an essential tool to study the behavior of ions under nanoconfinement. Despite the accuracy of MD simulation in modeling nanoconfinement systems, it is computationally expensive. In this work, we propose neural network to predict ion concentration profiles in nanochannels with different configurations, including channel widths, ion molarity, and ion types. By modeling the ion concentration profile as a probability distribution, our neural network can serve as a much faster surrogate model for MD simulation with high accuracy. We further demonstrate the superior prediction accuracy of neural network over XGBoost. Lastly, we demonstrated that neural network is flexible in predicting ion concentration profiles with different bin sizes. Overall, our deep learning model is a fast, flexible, and accurate surrogate model to predict ion concentration profiles in nanoconfinement.

Yizhan Feng, Hichem Snoussi, Jing Teng et al.

The demand for real-time visual understanding and interaction in complex scenarios is increasingly critical for unmanned aerial vehicles. However, a significant challenge arises from the contradiction between the high computational cost of large Vision language models and the limited computing resources available on UAV edge devices. To address this challenge, this paper proposes a lightweight multimodal task platform based on BLIP-2, integrated with YOLO-World and YOLOv8-Seg models. This integration extends the multi-task capabilities of BLIP-2 for UAV applications with minimal adaptation and without requiring task-specific fine-tuning on drone data. Firstly, the deep integration of BLIP-2 with YOLO models enables it to leverage the precise perceptual results of YOLO for fundamental tasks like object detection and instance segmentation, thereby facilitating deeper visual-attention understanding and reasoning. Secondly, a content-aware key frame sampling mechanism based on K-Means clustering is designed, which incorporates intelligent frame selection and temporal feature concatenation. This equips the lightweight BLIP-2 architecture with the capability to handle video-level interactive tasks effectively. Thirdly, a unified prompt optimization scheme for multi-task adaptation is implemented. This scheme strategically injects structured event logs from the YOLO models as contextual information into BLIP-2's input. Combined with output constraints designed to filter out technical details, this approach effectively guides the model to generate accurate and contextually relevant outputs for various tasks.

Ziru Zhang, Xuling Zhang, Guangzhi Zhu et al.

In the era of Internet of Things (IoT), Digital Twin (DT) is envisioned to empower various areas as a bridge between physical objects and the digital world. Through virtualization and simulation techniques, multiple functions can be achieved by leveraging computing resources. In this process, Mobile Cloud Computing (MCC) and Mobile Edge Computing (MEC) have become two of the key factors to achieve real-time feedback. However, current works only considered edge servers or cloud servers in the DT system models. Besides, The models ignore the DT with not only one data resource. In this paper, we propose a new DT system model considering a heterogeneous MEC/MCC environment. Each DT in the model is maintained in one of the servers via multiple data collection devices. The offloading decision-making problem is also considered and a new offloading scheme is proposed based on Distributed Deep Learning (DDL). Simulation results demonstrate that our proposed algorithm can effectively and efficiently decrease the system's average latency and energy consumption. Significant improvement is achieved compared with the baselines under the dynamic environment of DTs.

Yuyang Wang, Ruichen Li, Jean-Rémy Chardonnet et al.

This work presents a dataset collected to predict cybersickness in virtual reality environments. The data was collected from navigation tasks in a virtual environment designed to induce cybersickness. The dataset consists of many data points collected from diverse participants, including physiological responses (EDA and Heart Rate) and self-reported cybersickness symptoms. The paper will provide a detailed description of the dataset, including the arranged navigation task, the data collection procedures, and the data format. The dataset will serve as a valuable resource for researchers to develop and evaluate predictive models for cybersickness and will facilitate more research in cybersickness mitigation.

Bonan Liu, Guoyang Zhao, Jianhao Jiao et al.

A Colored point cloud, as a simple and efficient 3D representation, has many advantages in various fields, including robotic navigation and scene reconstruction. This representation is now commonly used in 3D reconstruction tasks relying on cameras and LiDARs. However, fusing data from these two types of sensors is poorly performed in many existing frameworks, leading to unsatisfactory mapping results, mainly due to inaccurate camera poses. This paper presents OmniColor, a novel and efficient algorithm to colorize point clouds using an independent 360-degree camera. Given a LiDAR-based point cloud and a sequence of panorama images with initial coarse camera poses, our objective is to jointly optimize the poses of all frames for mapping images onto geometric reconstructions. Our pipeline works in an off-the-shelf manner that does not require any feature extraction or matching process. Instead, we find optimal poses by directly maximizing the photometric consistency of LiDAR maps. In experiments, we show that our method can overcome the severe visual distortion of omnidirectional images and greatly benefit from the wide field of view (FOV) of 360-degree cameras to reconstruct various scenarios with accuracy and stability. The code will be released at https://github.com/liubonan123/OmniColor/.

Arun Jambulapati, Hilaf Hasson, Youngsuk Park et al.

Determining causal relationship between high dimensional observations are among the most important tasks in scientific discoveries. In this paper, we revisited the \emph{linear trace method}, a technique proposed in~\citep{janzing2009telling,zscheischler2011testing} to infer the causal direction between two random variables of high dimensions. We strengthen the existing results significantly by providing an improved tail analysis in addition to extending the results to nonlinear trace functionals with sharper confidence bounds under certain distributional assumptions. We obtain our results by interpreting the trace estimator in the causal regime as a function over random orthogonal matrices, where the concentration of Lipschitz functions over such space could be applied. We additionally propose a novel ridge-regularized variant of the estimator in \cite{zscheischler2011testing}, and give provable bounds relating the ridge-estimated terms to their ground-truth counterparts. We support our theoretical results with encouraging experiments on synthetic datasets, more prominently, under high-dimension low sample size regime.

Abdul Fatir Ansari, Lorenzo Stella, Caner Turkmen et al.

We introduce Chronos, a simple yet effective framework for pretrained probabilistic time series models. Chronos tokenizes time series values using scaling and quantization into a fixed vocabulary and trains existing transformer-based language model architectures on these tokenized time series via the cross-entropy loss. We pretrained Chronos models based on the T5 family (ranging from 20M to 710M parameters) on a large collection of publicly available datasets, complemented by a synthetic dataset that we generated via Gaussian processes to improve generalization. In a comprehensive benchmark consisting of 42 datasets, and comprising both classical local models and deep learning methods, we show that Chronos models: (a) significantly outperform other methods on datasets that were part of the training corpus; and (b) have comparable and occasionally superior zero-shot performance on new datasets, relative to methods that were trained specifically on them. Our results demonstrate that Chronos models can leverage time series data from diverse domains to improve zero-shot accuracy on unseen forecasting tasks, positioning pretrained models as a viable tool to greatly simplify forecasting pipelines.

Chengzhi Xu, Yuyang Wang, Lai Wei et al.

Recently, multimodal large language models (MLLMs) have attracted increasing research attention due to their powerful visual understanding capabilities. While they have achieved impressive results on various vision tasks, their performance on chart-to-code generation remains suboptimal. This task requires MLLMs to generate executable code that can reproduce a given chart, demanding not only precise visual understanding but also accurate translation of visual elements into structured code. Directly prompting MLLMs to perform this complex task often yields unsatisfactory results. To address this challenge, we propose {ChartIR}, an iterative refinement method based on structured instruction. First, we distinguish two tasks: visual understanding and code translation. To accomplish the visual understanding component, we design two types of structured instructions: description and difference. The description instruction captures the visual elements of the reference chart, while the difference instruction characterizes the discrepancies between the reference chart and the generated chart. These instructions effectively transform visual features into language representations, thereby facilitating the subsequent code translation process. Second, we decompose the overall chart generation pipeline into two stages: initial code generation and iterative refinement, enabling progressive enhancement of the final output. Experimental results show that, compared to other method, our method achieves superior performance on both the open-source model Qwen2-VL and the closed-source model GPT-4o.

Anqi Wang, Lei Han, Jiahua Dong et al.

Digital platforms frequently reproduce heteronormative norms and structural biases, limiting inclusive communication between LGBTQ+ and cisgender individuals. The Metaverse, with its affordances for identity fluidity, presence, and community governance, offers a promising site for reimagining such interactions. To investigate this potential, we conducted participatory design workshops involving LGBTQ+ and cisgender participants, situating them in speculative Metaverse contexts to surface barriers and co-create alternative futures. The workshops followed a three-phase process-identifying challenges, speculative problem-solving, and visualizing futures-yielding socio-spatial-technical solutions across four layers: activity, interaction, scene, and space. These findings highlight the importance of spatial cues and power dynamics in shaping digital encounters. We contribute by (1) articulating challenges of cross-group communication in virtual environments, (2) proposing inclusive design opportunities for the Metaverse, and (3) advancing principles for addressing power geometry in digital space. This work demonstrates futuring as a critical strategy for designing equitable, transformative communication infrastructures.

Jiatao Gu, Ying Shen, Tianrong Chen et al.

Normalizing flows (NFs) are end-to-end likelihood-based generative models for continuous data, and have recently regained attention with encouraging progress on image generation. Yet in the video generation domain, where spatiotemporal complexity and computational cost are substantially higher, state-of-the-art systems almost exclusively rely on diffusion-based models. In this work, we revisit this design space by presenting STARFlow-V, a normalizing flow-based video generator with substantial benefits such as end-to-end learning, robust causal prediction, and native likelihood estimation. Building upon the recently proposed STARFlow, STARFlow-V operates in the spatiotemporal latent space with a global-local architecture which restricts causal dependencies to a global latent space while preserving rich local within-frame interactions. This eases error accumulation over time, a common pitfall of standard autoregressive diffusion model generation. Additionally, we propose flow-score matching, which equips the model with a light-weight causal denoiser to improve the video generation consistency in an autoregressive fashion. To improve the sampling efficiency, STARFlow-V employs a video-aware Jacobi iteration scheme that recasts inner updates as parallelizable iterations without breaking causality. Thanks to the invertible structure, the same model can natively support text-to-video, image-to-video as well as video-to-video generation tasks. Empirically, STARFlow-V achieves strong visual fidelity and temporal consistency with practical sampling throughput relative to diffusion-based baselines. These results present the first evidence, to our knowledge, that NFs are capable of high-quality autoregressive video generation, establishing them as a promising research direction for building world models. Code and generated samples are available at https://github.com/apple/ml-starflow.

Yitong Zhu, Zhuowen Liang, Yiming Wu et al.

Cybersickness remains a major obstacle to the widespread adoption of immersive virtual reality (VR), particularly in consumer-grade environments. While prior methods rely on invasive signals such as electroencephalography (EEG) for high predictive accuracy, these approaches require specialized hardware and are impractical for real-world applications. In this work, we propose a scalable, deployable framework for personalized cybersickness prediction leveraging only non-invasive signals readily available from commercial VR headsets, including head motion, eye tracking, and physiological responses. Our model employs a modality-specific graph neural network enhanced with a Difference Attention Module to extract temporal-spatial embeddings capturing dynamic changes across modalities. A cross-modal alignment module jointly trains the video encoder to learn personalized traits by aligning video features with sensor-derived representations. Consequently, the model accurately predicts individual cybersickness using only video input during inference. Experimental results show our model achieves 88.4\% accuracy, closely matching EEG-based approaches (89.16\%), while reducing deployment complexity. With an average inference latency of 90ms, our framework supports real-time applications, ideal for integration into consumer-grade VR platforms without compromising personalization or performance. The code will be relesed at https://github.com/U235-Aurora/PTGNN.

Zihao Xu, Hao He, Guang-He Lee et al.

Existing domain adaptation methods tend to treat every domain equally and align them all perfectly. Such uniform alignment ignores topological structures among different domains; therefore it may be beneficial for nearby domains, but not necessarily for distant domains. In this work, we relax such uniform alignment by using a domain graph to encode domain adjacency, e.g., a graph of states in the US with each state as a domain and each edge indicating adjacency, thereby allowing domains to align flexibly based on the graph structure. We generalize the existing adversarial learning framework with a novel graph discriminator using encoding-conditioned graph embeddings. Theoretical analysis shows that at equilibrium, our method recovers classic domain adaptation when the graph is a clique, and achieves non-trivial alignment for other types of graphs. Empirical results show that our approach successfully generalizes uniform alignment, naturally incorporates domain information represented by graphs, and improves upon existing domain adaptation methods on both synthetic and real-world datasets. Code will soon be available at https://github.com/Wang-ML-Lab/GRDA.

Rishikesh Magar, Yuyang Wang, Cooper Lorsung et al.

Machine learning (ML) has demonstrated the promise for accurate and efficient property prediction of molecules and crystalline materials. To develop highly accurate ML models for chemical structure property prediction, datasets with sufficient samples are required. However, obtaining clean and sufficient data of chemical properties can be expensive and time-consuming, which greatly limits the performance of ML models. Inspired by the success of data augmentations in computer vision and natural language processing, we developed AugLiChem: the data augmentation library for chemical structures. Augmentation methods for both crystalline systems and molecules are introduced, which can be utilized for fingerprint-based ML models and Graph Neural Networks(GNNs). We show that using our augmentation strategies significantly improves the performance of ML models, especially when using GNNs. In addition, the augmentations that we developed can be used as a direct plug-in module during training and have demonstrated the effectiveness when implemented with different GNN models through the AugliChem library. The Python-based package for our implementation of Auglichem: Data augmentation library for chemical structures, is publicly available at: https://github.com/BaratiLab/AugLiChem.

Shantanu Gupta, Hao Wang, Zachary C. Lipton et al.

Link prediction methods are frequently applied in recommender systems, e.g., to suggest citations for academic papers or friends in social networks. However, exposure bias can arise when users are systematically underexposed to certain relevant items. For example, in citation networks, authors might be more likely to encounter papers from their own field and thus cite them preferentially. This bias can propagate through naively trained link predictors, leading to both biased evaluation and high generalization error (as assessed by true relevance). Moreover, this bias can be exacerbated by feedback loops. We propose estimators that leverage known exposure probabilities to mitigate this bias and consequent feedback loops. Next, we provide a loss function for learning the exposure probabilities from data. Finally, experiments on semi-synthetic data based on real-world citation networks, show that our methods reliably identify (truly) relevant citations. Additionally, our methods lead to greater diversity in the recommended papers' fields of study. The code is available at https://github.com/shantanu95/exposure-bias-link-rec.

Yuyang Wang, Xin Liu

Variational Monte Carlo (VMC) combined with expressive neural network wavefunctions has become a powerful route to high-accuracy ground-state calculations, yet its practical success hinges on efficient and stable wavefunction optimization. While stochastic reconfiguration (SR) provides a geometry-aware preconditioner motivated by imaginary-time evolution, its Kaczmarz-inspired variant, subsampled projected-increment natural gradient descent (SPRING), achieves state-of-the-art empirical performance. However, the effectiveness of SPRING is highly sensitive to the choice of a momentum-like parameter $μ$. The original sensitivity of $μ$ and the instability observed at $μ=1$, have remained unclear. In this work, we clarify the distinct mechanisms governing the regimes $μ<1$ and $μ=1$. We establish convergence guarantees for $0\leμ<1$ under mild assumptions, and construct counterexamples showing that $μ=1$ can induce divergence via uncontrolled growth along kernel-related directions when the step-size is not summable. Motivated by these theoretical insights and numerical observations, we further propose \textit{Principal Range Informed MomEntum SR} (PRIME-SR), a tuning-free momentum-adaptive SR method based on effective spectral dimension and subspace overlap. PRIME-SR achieves performance comparable to optimally tuned SPRING while significantly improving robustness in VMC optimization.

Ying Shen, Tianrong Chen, Yuan Gao et al.

Deep generative models have advanced rapidly across text and vision, motivating unified multimodal systems that can understand, reason over, and generate interleaved text-image sequences. Most existing approaches combine autoregressive language modeling with diffusion-based image generators, inheriting a structural mismatch between causal text generation and iterative visual denoising. We observe that autoregressive normalizing flows are autoregressive Transformers--sharing the same causal mask, KV-cache mechanism, and left-to-right structure as LLMs--making them the most natural paradigm for true unified multimodal generation. We present STARFlow2, built on the Pretzel architecture that vertically interleaves a pretrained VLM stream with a TarFlow stream via residual skip connections, both operating under the same causal mask. Combined with a deep-shallow flow design and a unified FAE latent space, STARFlow2 enables cache-friendly interleaved generation where both text and visual outputs directly enter the KV-cache without re-encoding. Experiments demonstrate strong performance across image generation and multimodal understanding benchmarks, validating autoregressive flows as a viable foundation for unified multimodal modeling.

Yuyang Wang, Yukuan Hu, Xin Liu

Tensor product function (TPF) approximations have been widely adopted in solving high-dimensional problems, such as partial differential equations and eigenvalue problems, achieving desirable accuracy with computational overhead that scales linearly with problem dimensions. However, recent studies have underscored the extraordinarily high computational cost of TPFs on quantum many-body problems, even for systems with as few as three particles. A key distinction in these problems is the antisymmetry requirement on the unknown functions. In the present work, we rigorously establish that the minimum number of involved terms for a class of TPFs to be exactly antisymmetric increases exponentially fast with the problem dimension. This class encompasses both traditionally discretized TPFs and the recent ones parameterized by neural networks. Our proof exploits the link between the antisymmetric TPFs in this class and the corresponding antisymmetric tensors and focuses on the Canonical Polyadic rank of the latter. As a result, our findings reveal that low-rank TPFs are fundamentally unsuitable for high-dimensional problems where antisymmetry is essential.

Dianyu Liu, Chuan Qin, Xi Chen et al.

AI-for-Science (AI4Science) is increasingly transforming scientific discovery by embedding machine learning models into prediction, simulation, and hypothesis generation workflows across domains. However, the effectiveness of these models is fundamentally constrained by the AI-readiness of scientific data, for which no scalable and systematic evaluation mechanism currently exists. In this work, we propose SciHorizon-DataEVA, a novel agentic system to scalable AI-readiness evaluation of heterogeneous scientific data. At the evaluation-criteria level, we introduce the Sci-TQA2 principles, which organize AI-readiness into four complementary dimensions: Governance Trustworthiness, Data Quality, AI Compatibility, and Scientific Adaptability. Each dimension is decomposed into measurable atomic elements that enable fine-grained and executable assessment. To operationalize these principles at scale, we develop Sci-TQA2-Eval, a hierarchical multi-agent evaluation approach orchestrated through a directed, cyclic workflow. Our Sci-TQA2-Eval dynamically constructs dataset-aware evaluation specifications by combining lightweight dataset profiling, applicability-aware metric activation, and knowledge-augmented planning grounded in domain constraints and dataset-paper signals. These specifications are executed through an adaptive, tool-centric evaluation mechanism with built-in verification and self-correction, enabling scalable and reliable assessment across heterogeneous scientific data. Extensive experiments on scientific datasets spanning multiple domains demonstrate the effectiveness and generality of SciHorizon-DataEVA for principled AI-readiness evaluation.

Chaoran Cheng, Boran Han, Danielle C. Maddix et al.

Generative models that satisfy hard constraints are critical in many scientific and engineering applications, where physical laws or system requirements must be strictly respected. Many existing constrained generative models, especially those developed for computer vision, rely heavily on gradient information, which is often sparse or computationally expensive in some fields, e.g., partial differential equations (PDEs). In this work, we introduce a novel framework for adapting pre-trained, unconstrained flow-matching models to satisfy constraints exactly in a zero-shot manner without requiring expensive gradient computations or fine-tuning. Our framework, ECI sampling, alternates between extrapolation (E), correction (C), and interpolation (I) stages during each iterative sampling step of flow matching sampling to ensure accurate integration of constraint information while preserving the validity of the generation. We demonstrate the effectiveness of our approach across various PDE systems, showing that ECI-guided generation strictly adheres to physical constraints and accurately captures complex distribution shifts induced by these constraints. Empirical results demonstrate that our framework consistently outperforms baseline approaches in various zero-shot constrained generation tasks and also achieves competitive results in the regression tasks without additional fine-tuning.

Sebastian Pineda Arango, Pedro Mercado, Shubham Kapoor et al.

Covariates provide valuable information on external factors that influence time series and are critical in many real-world time series forecasting tasks. For example, in retail, covariates may indicate promotions or peak dates such as holiday seasons that heavily influence demand forecasts. Recent advances in pretraining large language model architectures for time series forecasting have led to highly accurate forecasters. However, the majority of these models do not readily use covariates as they are often specific to a certain task or domain. This paper introduces a new method to incorporate covariates into pretrained time series forecasting models. Our proposed approach incorporates covariate information into pretrained forecasting models through modular blocks that inject past and future covariate information, without necessarily modifying the pretrained model in consideration. In order to evaluate our approach, we introduce a benchmark composed of 32 different synthetic datasets with varying dynamics to evaluate the effectivity of forecasting models with covariates. Extensive evaluations on both synthetic and real datasets show that our approach effectively incorporates covariate information into pretrained models, outperforming existing baselines.

Bingqing Song, Boran Han, Shuai Zhang et al. · amazon-science

Having an LLM that aligns with human preferences is essential for accommodating individual needs, such as maintaining writing style or generating specific topics of interest. The majority of current alignment methods rely on fine-tuning or prompting, which can be either costly or difficult to control. Model steering algorithms, which modify the model output by constructing specific steering directions, are typically easy to implement and optimization-free. However, their capabilities are typically limited to steering the model into one of the two directions (i.e., bidirectional steering), and there has been no theoretical understanding to guarantee their performance. In this work, we propose a theoretical framework to understand and quantify the model steering methods. Inspired by the framework, we propose a confident direction steering method (CONFST) that steers LLMs via modifying their activations at inference time. More specifically, CONFST builds a confident direction that is closely aligned with users' preferences, and this direction is then added to the activations of the LLMs to effectively steer the model output. Our approach offers three key advantages over popular bidirectional model steering methods: 1) It is more powerful, since multiple (i.e. more than two) users' preferences can be aligned simultaneously; 2) It is simple to implement, since there is no need to determine which layer to add the steering vector to; 3) No explicit user instruction is required. We validate our method on GPT-2 XL (1.5B), Mistral (7B) and Gemma-it (9B) models for tasks that require shifting the output of LLMs across various topics and styles, achieving superior performance over competing methods.

Luca Masserano, Abdul Fatir Ansari, Boran Han et al.

How to best develop foundational models for time series forecasting remains an important open question. Tokenization is a crucial consideration in this effort: what is an effective discrete vocabulary for a real-valued sequential input? To address this question, we develop WaveToken, a wavelet-based tokenizer that allows models to learn complex representations directly in the space of time-localized frequencies. Our method first scales and decomposes the input time series, then thresholds and quantizes the wavelet coefficients, and finally pre-trains an autoregressive model to forecast coefficients for the forecast horizon. By decomposing coarse and fine structures in the inputs, wavelets provide an eloquent and compact language for time series forecasting that simplifies learning. Empirical results on a comprehensive benchmark, including 42 datasets for both in-domain and zero-shot settings, show that WaveToken: i) provides better accuracy than recently proposed foundation models for forecasting while using a much smaller vocabulary (1024 tokens), and performs on par or better than modern deep learning models trained specifically on each dataset; and ii) exhibits superior generalization capabilities, achieving the best average rank across all datasets for three complementary metrics. In addition, we show that our method can easily capture complex temporal patterns of practical relevance that are challenging for other recent pre-trained models, including trends, sparse spikes, and non-stationary time series with varying frequencies evolving over time.

Syama Sundar Rangapuram, Jan Gasthaus, Lorenzo Stella et al.

This paper presents non-parametric baseline models for time series forecasting. Unlike classical forecasting models, the proposed approach does not assume any parametric form for the predictive distribution and instead generates predictions by sampling from the empirical distribution according to a tunable strategy. By virtue of this, the model is always able to produce reasonable forecasts (i.e., predictions within the observed data range) without fail unlike classical models that suffer from numerical stability on some data distributions. Moreover, we develop a global version of the proposed method that automatically learns the sampling strategy by exploiting the information across multiple related time series. The empirical evaluation shows that the proposed methods have reasonable and consistent performance across all datasets, proving them to be strong baselines to be considered in one's forecasting toolbox.

Yuyang Wang, Yizhi Hao, Amando Xu Cong

In the realm of digital media, the advent of AI-generated synthetic images has introduced significant challenges in distinguishing between real and fabricated visual content. These images, often indistinguishable from authentic ones, pose a threat to the credibility of digital media, with potential implications for disinformation and fraud. Our research addresses this challenge by employing machine learning techniques to discern between AI-generated and genuine images. Central to our approach is the CIFAKE dataset, a comprehensive collection of images labeled as "Real" and "Fake". We refine and adapt advanced deep learning architectures like ResNet, VGGNet, and DenseNet, utilizing transfer learning to enhance their precision in identifying synthetic images. We also compare these with a baseline model comprising a vanilla Support Vector Machine (SVM) and a custom Convolutional Neural Network (CNN). The experimental results were significant, demonstrating that our optimized deep learning models outperform traditional methods, with DenseNet achieving an accuracy of 97.74%. Our application study contributes by applying and optimizing these advanced models for synthetic image detection, conducting a comparative analysis using various metrics, and demonstrating their superior capability in identifying AI-generated images over traditional machine learning techniques. This research not only advances the field of digital media integrity but also sets a foundation for future explorations into the ethical and technical dimensions of AI-generated content in digital media.

S. Chandra Mouli, Danielle C. Maddix, Shima Alizadeh et al.

Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural Operators (NOs) have emerged as particularly promising. We observe that several uncertainty quantification (UQ) methods for NOs fail for test inputs that are even moderately out-of-domain (OOD), even when the model approximates the solution well for in-domain tasks. To address this limitation, we show that ensembling several NOs can identify high-error regions and provide good uncertainty estimates that are well-correlated with prediction errors. Based on this, we propose a cost-effective alternative, DiverseNO, that mimics the properties of the ensemble by encouraging diverse predictions from its multiple heads in the last feed-forward layer. We then introduce Operator-ProbConserv, a method that uses these well-calibrated UQ estimates within the ProbConserv framework to update the model. Our empirical results show that Operator-ProbConserv enhances OOD model performance for a variety of challenging PDE problems and satisfies physical constraints such as conservation laws.

Xinjie Zhao, Fan Gao, Xingyu Song et al.

Recent advances in large language models (LLMs) have significantly improved multi-hop question answering (QA) through direct Chain-of-Thought (CoT) reasoning. However, the irreversible nature of CoT leads to error accumulation, making it challenging to correct mistakes in multi-hop reasoning. This paper introduces ReAgent: a Reversible multi-Agent collaborative framework augmented with explicit backtracking mechanisms, enabling reversible multi-hop reasoning. By incorporating text-based retrieval, information aggregation and validation, our system can detect and correct errors mid-reasoning, leading to more robust and interpretable QA outcomes. The framework and experiments serve as a foundation for future work on error-tolerant QA systems. Empirical evaluations across three benchmarks indicate ReAgent's efficacy, yielding average about 6\% improvements against baseline models.

Yuyang Wang, Jiarui Lu, Navdeep Jaitly et al.

Protein folding models have achieved groundbreaking results typically via a combination of integrating domain knowledge into the architectural blocks and training pipelines. Nonetheless, given the success of generative models across different but related problems, it is natural to question whether these architectural designs are a necessary condition to build performant models. In this paper, we introduce SimpleFold, the first flow-matching based protein folding model that solely uses general purpose transformer blocks. Protein folding models typically employ computationally expensive modules involving triangular updates, explicit pair representations or multiple training objectives curated for this specific domain. Instead, SimpleFold employs standard transformer blocks with adaptive layers and is trained via a generative flow-matching objective with an additional structural term. We scale SimpleFold to 3B parameters and train it on approximately 9M distilled protein structures together with experimental PDB data. On standard folding benchmarks, SimpleFold-3B achieves competitive performance compared to state-of-the-art baselines, in addition SimpleFold demonstrates strong performance in ensemble prediction which is typically difficult for models trained via deterministic reconstruction objectives. Due to its general-purpose architecture, SimpleFold shows efficiency in deployment and inference on consumer-level hardware. SimpleFold challenges the reliance on complex domain-specific architectures designs in protein folding, opening up an alternative design space for future progress.

Abdul Fatir Ansari, Oleksandr Shchur, Jaris Küken et al. · cmu

Pretrained time series models have enabled inference-only forecasting systems that produce accurate predictions without task-specific training. However, existing approaches largely focus on univariate forecasting, limiting their applicability in real-world scenarios where multivariate data and covariates play a crucial role. We present Chronos-2, a pretrained model capable of handling univariate, multivariate, and covariate-informed forecasting tasks in a zero-shot manner. Chronos-2 employs a group attention mechanism that facilitates in-context learning (ICL) through efficient information sharing across multiple time series within a group, which may represent sets of related series, variates of a multivariate series, or targets and covariates in a forecasting task. These general capabilities are achieved through training on synthetic datasets that impose diverse multivariate structures on univariate series. Chronos-2 delivers state-of-the-art performance across three comprehensive benchmarks: fev-bench, GIFT-Eval, and Chronos Benchmark II. On fev-bench, which emphasizes multivariate and covariate-informed forecasting, Chronos-2's universal ICL capabilities lead to substantial improvements over existing models. On tasks involving covariates, it consistently outperforms baselines by a wide margin. Case studies in the energy and retail domains further highlight its practical advantages. The in-context learning capabilities of Chronos-2 establish it as a general-purpose forecasting model that can be used "as is" in real-world forecasting pipelines.

Haoran Li, Yuli Tian, Yonghui Wang et al.

Distilling 3D representations from pretrained 2D diffusion models is essential for 3D creative applications across gaming, film, and interior design. Current SDS-based methods are hindered by inefficient information distillation from diffusion models, which prevents the creation of photorealistic 3D contents. In this paper, we first reevaluate the SDS approach by analyzing its fundamental nature as a basic image editing process that commonly results in over-saturation, over-smoothing, lack of rich content and diversity due to the poor-quality single-step denoising. In light of this, we then propose a novel method called 3D Generation by Editing (GE3D). Each iteration of GE3D utilizes a 2D editing framework that combines a noising trajectory to preserve the information of the input image, alongside a text-guided denoising trajectory. We optimize the process by aligning the latents across both trajectories. This approach fully exploits pretrained diffusion models to distill multi-granularity information through multiple denoising steps, resulting in photorealistic 3D outputs. Both theoretical and experimental results confirm the effectiveness of our approach, which not only advances 3D generation technology but also establishes a novel connection between 3D generation and 2D editing. This could potentially inspire further research in the field. Code and demos are released at https://jahnsonblack.github.io/GE3D/.

Yuyang Wang, Anurag Ranjan, Josh Susskind et al.

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained in two stages: first, a data compressor is trained, and in a subsequent training stage a flow matching generative model is trained in the latent space of the data compressor. This two-stage paradigm sets obstacles for unifying models across data domains, as hand-crafted compressors architectures are used for different data modalities. To this end, we introduce INRFlow, a domain-agnostic approach to learn flow matching transformers directly in ambient space. Drawing inspiration from INRs, we introduce a conditionally independent point-wise training objective that enables INRFlow to make predictions continuously in coordinate space. Our empirical results demonstrate that INRFlow effectively handles different data modalities such as images, 3D point clouds and protein structure data, achieving strong performance in different domains and outperforming comparable approaches. INRFlow is a promising step towards domain-agnostic flow matching generative models that can be trivially adopted in different data domains.

Yitong Zhu, Yuxuan Jiang, Guanxuan Jiang et al.

Multimodal Sentiment Analysis (MSA) aims to infer human sentiment from textual, acoustic, and visual signals. In real-world scenarios, however, multimodal inputs are often compromised by dynamic noise or modality missingness. Existing methods typically treat these imperfections as discrete cases or assume fixed corruption ratios, which limits their adaptability to continuously varying reliability conditions. To address this, we first introduce a Continuous Reliability Spectrum to unify missingness and quality degradation into a single framework. Building on this, we propose QA-MoE, a Quality-Aware Mixture-of-Experts framework that quantifies modality reliability via self-supervised aleatoric uncertainty. This mechanism explicitly guides expert routing, enabling the model to suppress error propagation from unreliable signals while preserving task-relevant information. Extensive experiments indicate that QA-MoE achieves competitive or state-of-the-art performance across diverse degradation scenarios and exhibits a promising One-Checkpoint-for-All property in practice.