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Oct 16

Causal Longitudinal Prior-Fitted Networks for Counterfactual Outcome Prediction

Longitudinal treatment decisions require predicting potential outcomes under future treatment sequences in the presence of time-varying confounding, heterogeneous patient dynamics, and limited domain-specific data. Existing longitudinal causal estimators typically train a new model for each cohort or simulator. We introduce Causal Longitudinal Prior-Fitted Networks (CausalLongPFN), a prior-fitted in-context predictor for longitudinal causal prediction. The model is pretrained entirely on synthetic episodes sampled from a broad prior over temporal structural causal models, exposing it to treatment-confounder feedback, latent heterogeneity, nonlinear state evolution, delayed effects, and cumulative treatment responses. At test time, CausalLongPFN is frozen: it conditions on support trajectories, a query history, and a proposed future treatment sequence, and returns a predictive distribution over future outcomes without gradient updates or propensity-model fitting. Multi-step predictions are obtained by recursively applying the one-step predictor under the specified treatment sequence. We evaluate on branchable cancer, HIV, and warfarin benchmarks with ground-truth counterfactual labels, and on factual-only rolling-origin prediction in MIMIC-III ICU trajectories. CausalLongPFN is competitive with domain-trained longitudinal baselines on counterfactual benchmarks and performs strongly on factual MIMIC-III prediction, suggesting that broad synthetic causal pretraining can provide a useful frozen alternative when repeated domain-specific training is costly or impractical.

  • 5 authors
·
Jun 3

Data-driven Kernel-based Predictive Control with Stability and Robustness Guarantees

In this paper, we provide a theoretical analysis of the closed-loop properties of a data-driven kernel-based predictive control (DDKPC) scheme developed solely from input-output data. The proposed formulation integrates a robust data-driven predictive control framework with a multi-step predictor for nonlinear systems constructed via kernel-based methods. This predictor implicitly captures the system's nonlinear behavior using the representer theorem. For the nominal case with noise-free data, we prove that the DDKPC scheme guarantees recursive feasibility and closed-loop stability, provided that the prediction horizon is sufficiently long and the kernel representation error is sufficiently small. To facilitate real-time implementation, we introduce a penalty relaxation formulation to alleviate the computational burden inherently caused by nonconvex implicit constraints. Furthermore, the framework is robustified against measurement noise by aggregating the representation mismatch and the bounded noise into a unified uncertainty bound. Finally, we extend the DDKPC framework to slowly time-varying nonlinear systems by periodically reconstructing the kernel predictor from a fixed-budget online dictionary managed by the approximate linear dependency (ALD) criterion. Under suitable conditions on the rate of variation of the input-output evolution and the online prediction error, recursive feasibility and practical closed-loop stability are preserved. The effectiveness of the proposed approach is illustrated through numerical examples.

  • 4 authors
·
Jul 2

TD-JEPA: Latent-predictive Representations for Zero-Shot Reinforcement Learning

Latent prediction--where agents learn by predicting their own latents--has emerged as a powerful paradigm for training general representations in machine learning. In reinforcement learning (RL), this approach has been explored to define auxiliary losses for a variety of settings, including reward-based and unsupervised RL, behavior cloning, and world modeling. While existing methods are typically limited to single-task learning, one-step prediction, or on-policy trajectory data, we show that temporal difference (TD) learning enables learning representations predictive of long-term latent dynamics across multiple policies from offline, reward-free transitions. Building on this, we introduce TD-JEPA, which leverages TD-based latent-predictive representations into unsupervised RL. TD-JEPA trains explicit state and task encoders, a policy-conditioned multi-step predictor, and a set of parameterized policies directly in latent space. This enables zero-shot optimization of any reward function at test time. Theoretically, we show that an idealized variant of TD-JEPA avoids collapse with proper initialization, and learns encoders that capture a low-rank factorization of long-term policy dynamics, while the predictor recovers their successor features in latent space. Empirically, TD-JEPA matches or outperforms state-of-the-art baselines on locomotion, navigation, and manipulation tasks across 13 datasets in ExoRL and OGBench, especially in the challenging setting of zero-shot RL from pixels.

  • 5 authors
·
Oct 1, 2025

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

  • 10 authors
·
Jan 31, 2023

Protenix-Mini: Efficient Structure Predictor via Compact Architecture, Few-Step Diffusion and Switchable pLM

Lightweight inference is critical for biomolecular structure prediction and other downstream tasks, enabling efficient real-world deployment and inference-time scaling for large-scale applications. In this work, we address the challenge of balancing model efficiency and prediction accuracy by making several key modifications, 1) Multi-step AF3 sampler is replaced by a few-step ODE sampler, significantly reducing computational overhead for the diffusion module part during inference; 2) In the open-source Protenix framework, a subset of pairformer or diffusion transformer blocks doesn't make contributions to the final structure prediction, presenting opportunities for architectural pruning and lightweight redesign; 3) A model incorporating an ESM module is trained to substitute the conventional MSA module, reducing MSA preprocessing time. Building on these key insights, we present Protenix-Mini, a compact and optimized model designed for efficient protein structure prediction. This streamlined version incorporates a more efficient architectural design with a two-step Ordinary Differential Equation (ODE) sampling strategy. By eliminating redundant Transformer components and refining the sampling process, Protenix-Mini significantly reduces model complexity with slight accuracy drop. Evaluations on benchmark datasets demonstrate that it achieves high-fidelity predictions, with only a negligible 1 to 5 percent decrease in performance on benchmark datasets compared to its full-scale counterpart. This makes Protenix-Mini an ideal choice for applications where computational resources are limited but accurate structure prediction remains crucial.

  • 6 authors
·
Jul 15, 2025

Agentic World Modeling: Foundations, Capabilities, Laws, and Beyond

As AI systems move from generating text to accomplishing goals through sustained interaction, the ability to model environment dynamics becomes a central bottleneck. Agents that manipulate objects, navigate software, coordinate with others, or design experiments require predictive environment models, yet the term world model carries different meanings across research communities. We introduce a "levels x laws" taxonomy organized along two axes. The first defines three capability levels: L1 Predictor, which learns one-step local transition operators; L2 Simulator, which composes them into multi-step, action-conditioned rollouts that respect domain laws; and L3 Evolver, which autonomously revises its own model when predictions fail against new evidence. The second identifies four governing-law regimes: physical, digital, social, and scientific. These regimes determine what constraints a world model must satisfy and where it is most likely to fail. Using this framework, we synthesize over 400 works and summarize more than 100 representative systems spanning model-based reinforcement learning, video generation, web and GUI agents, multi-agent social simulation, and AI-driven scientific discovery. We analyze methods, failure modes, and evaluation practices across level-regime pairs, propose decision-centric evaluation principles and a minimal reproducible evaluation package, and outline architectural guidance, open problems, and governance challenges. The resulting roadmap connects previously isolated communities and charts a path from passive next-step prediction toward world models that can simulate, and ultimately reshape, the environments in which agents operate.

  • 42 authors
·
Apr 23 5

Long-Horizon Textual World Modeling through Structured Reasoning

World models must predict how an environment evolves under sequences of actions, enabling agents to compare possible futures and reason about counterfactual actions before acting. Long-horizon prediction is commonly obtained by recursively applying a one-step transition model, but intermediate errors can compound over time. Multi-step dynamics models instead condition on a sequence of future actions and predict their consequences directly, but become harder to learn as horizon grows: the model must track interacting state changes across the trajectory, endpoint supervision provides weak credit assignment, and intermediate predictions can remain plausible while losing information needed for later states. We show that these challenges can be addressed by casting the internal evolution of a multi-step transition as structured reasoning over textual world states: reasoning over sparse state changes reduces the burden of state tracking, a predictive-gain objective rewards the learned state for improving over a matched predictor that conditions on raw history instead, and intermediate predictive rewards supervise each state along the trajectory. Because these intermediate states are explicit textual representations of the world, they provide semantically meaningful targets that can be inspected, scored, and corrected during training. Across ScienceWorld, Jericho, and CEO-Bench, our approach achieves the strongest average long-horizon performance against recursive and non-recursive baselines that condition directly on raw history, with gains increasing at longer horizons. In a controlled counterfactual study, our model is also the only one with statistically significant sensitivity to future actions.

  • 6 authors
·
Oct 4

Lotus-2: Advancing Geometric Dense Prediction with Powerful Image Generative Model

Recovering pixel-wise geometric properties from a single image is fundamentally ill-posed due to appearance ambiguity and non-injective mappings between 2D observations and 3D structures. While discriminative regression models achieve strong performance through large-scale supervision, their success is bounded by the scale, quality and diversity of available data and limited physical reasoning. Recent diffusion models exhibit powerful world priors that encode geometry and semantics learned from massive image-text data, yet directly reusing their stochastic generative formulation is suboptimal for deterministic geometric inference: the former is optimized for diverse and high-fidelity image generation, whereas the latter requires stable and accurate predictions. In this work, we propose Lotus-2, a two-stage deterministic framework for stable, accurate and fine-grained geometric dense prediction, aiming to provide an optimal adaption protocol to fully exploit the pre-trained generative priors. Specifically, in the first stage, the core predictor employs a single-step deterministic formulation with a clean-data objective and a lightweight local continuity module (LCM) to generate globally coherent structures without grid artifacts. In the second stage, the detail sharpener performs a constrained multi-step rectified-flow refinement within the manifold defined by the core predictor, enhancing fine-grained geometry through noise-free deterministic flow matching. Using only 59K training samples, less than 1% of existing large-scale datasets, Lotus-2 establishes new state-of-the-art results in monocular depth estimation and highly competitive surface normal prediction. These results demonstrate that diffusion models can serve as deterministic world priors, enabling high-quality geometric reasoning beyond traditional discriminative and generative paradigms.

  • 4 authors
·
Nov 30, 2025 2

Towards Direct Evaluation of Harness Optimizers via Priority Ranking

Harness optimization enables automated agent creation by having an optimizer agent iteratively update the harness of target agents. Despite its success, current studies evaluate optimizers solely by observing target agents' performance gains. This indirect end-improvement evaluation neglects optimizers' actions at intermediate steps, which are often erroneous and hinder agent performance. Therefore, it is unclear whether harness optimization is driven by optimizers' informed update actions or simply trial-and-error. This necessitates direct evaluation of harness optimizers. However, evaluating harness optimizers directly is non-trivial and costly due to the lack of oracle harnesses. To address this, we present a simple, low-cost design to directly evaluate them, namely priority ranking. By asking harness optimizers to rank components (e.g., tools) in a given harness by their potential to improve/hinder agent performance when updated, our design quantifies optimizer ability at the step level without expensive rollouts or manual examination. More importantly, optimizers' ranking performance correlates with their ability to improve agents in actual multi-step harness optimization, establishing priority ranking as a reliable predictor of optimization ability. Priority ranking is enabled by Shor, a collection of 182 human-verified optimization scenarios spanning across domains, designs, and time stages. Codes and data can be found at https://github.com/k59118/Harness_Optimizer_Evaluation.

  • 12 authors
·
May 20

Semigroup-JEPA: Latent Dynamics Consistency for Zero-Shot Physics Generalization

Joint-Embedding Predictive Architecture (JEPA) world models learn a compact latent representation of the world that supports prediction and planning, but their capability to learn physics and generate physically realistic dynamics remains hitherto untested. In this work, we introduce SemiGroup-JEPA (SG-JEPA), which extends the LeWorldModel framework by supplying the parameter governing the physics to the temporal model via action-conditioning and jointly training an encoder and predictor through an autoregressive latent rollout. To evaluate the model's ability to generalize out of distribution, we design dynamical tasks under different gravitational fields that, despite obeying the same physical law, exhibit qualitatively different dynamics, ranging from floating motion in weak gravitational fields to rapid bouncing in strong ones. In contrast to DINO-WM, SG-JEPA reduces open-loop prediction error by up to 2 times on two-dimensional datasets, and increases control success rate up to 2.5 times for three-dimensional robotic datasets, for which we train independent diffusion policies. To explain this advantage, we develop a linear feature model that separates local law-conditioned error from its recursive amplification under rollout. Guided by this model, we find that back-propagating the multi-step rollout loss into the representation trains the encoder to keep the features that the predictor can carry forward, and that those are the features the dynamics depend on, so most of the gain comes from the encoder learning better features rather than from the predictor learning better dynamics. See project page at https://sg-jepa.github.io.

  • 5 authors
·
Sep 8

DexFuture: Hierarchical Future-State Visuomotor Targeting for Bimanual Dexterous Tool Use

Bimanual dexterous tool use remains challenging for robots due to high-dimensional hand configurations and complex hand-tool-object dynamics and contact. Most existing control policies depend on future configuration references provided from demonstrations, while future action-conditioned world models require slow online planning over high-dimensional action sequences. A significant challenge is generating a dynamically consistent future reference trajectory without relying on privileged states from demonstrations or slow counterfactual planning. We propose DexFuture, a hierarchical system that couples a high-level Future-State Visuomotor Target Predictor with a low-level Target-Conditioned Structured Dexterous Policy. Conditioned on egocentric RGB, proprioceptive and geometric history, the high-level predictor constructs structured hand-tool-object visuomotor embeddings and uses a horizon-conditioned transformer to generate a multi-step future target trajectory. Then, the low-level policy tracks them with a target-conditioned per-link transformer. This hierarchy decouples coarse future reference generation from fine-grained action control, and slow long-horizon semantic prediction from high-frequency execution. On OakInk2 bimanual tool-use tasks, DexFuture achieves 90% of the privileged-oracle performance, compared to 7% for a no-reference policy. DexFuture operates at 60 Hz, approximately 250 times faster than DexWM-style Cross-Entropy Method (CEM) planning with a future action-conditioned world model.

  • 9 authors
·
Jun 3

DiffPose: Multi-hypothesis Human Pose Estimation using Diffusion models

Traditionally, monocular 3D human pose estimation employs a machine learning model to predict the most likely 3D pose for a given input image. However, a single image can be highly ambiguous and induces multiple plausible solutions for the 2D-3D lifting step which results in overly confident 3D pose predictors. To this end, we propose DiffPose, a conditional diffusion model, that predicts multiple hypotheses for a given input image. In comparison to similar approaches, our diffusion model is straightforward and avoids intensive hyperparameter tuning, complex network structures, mode collapse, and unstable training. Moreover, we tackle a problem of the common two-step approach that first estimates a distribution of 2D joint locations via joint-wise heatmaps and consecutively approximates them based on first- or second-moment statistics. Since such a simplification of the heatmaps removes valid information about possibly correct, though labeled unlikely, joint locations, we propose to represent the heatmaps as a set of 2D joint candidate samples. To extract information about the original distribution from these samples we introduce our embedding transformer that conditions the diffusion model. Experimentally, we show that DiffPose slightly improves upon the state of the art for multi-hypothesis pose estimation for simple poses and outperforms it by a large margin for highly ambiguous poses.

  • 2 authors
·
Nov 29, 2022

Transformers Can Navigate Mazes With Multi-Step Prediction

Despite their remarkable success in language modeling, transformers trained to predict the next token in a sequence struggle with long-term planning. This limitation is particularly evident in tasks requiring foresight to plan multiple steps ahead such as maze navigation. The standard next single token prediction objective, however, offers no explicit mechanism to predict multiple steps ahead - or revisit the path taken so far. Consequently, in this work we study whether explicitly predicting multiple steps ahead (and backwards) can improve transformers' maze navigation. We train parameter-matched transformers from scratch, under identical settings, to navigate mazes of varying types and sizes with standard next token prediction and MLM-U, an objective explicitly predicting multiple steps ahead and backwards. We find that MLM-U considerably improves transformers' ability to navigate mazes compared to standard next token prediction across maze types and complexities. We also find MLM-U training is 4x more sample efficient and converges 2x faster in terms of GPU training hours relative to next token training. Finally, for more complex mazes we find MLM-U benefits from scaling to larger transformers. Remarkably, we find transformers trained with MLM-U outperform larger transformers trained with next token prediction using additional supervision from A* search traces. We hope these findings underscore the promise of learning objectives to advance transformers' capacity for long-term planning.

  • 5 authors
·
Dec 6, 2024

Improving Multi-Step Reasoning Abilities of Large Language Models with Direct Advantage Policy Optimization

The role of reinforcement learning (RL) in enhancing the reasoning of large language models (LLMs) is becoming increasingly significant. Despite the success of RL in many scenarios, there are still many challenges in improving the reasoning of LLMs. One challenge is the sparse reward, which makes optimization difficult for RL and necessitates a large amount of data samples. Another challenge stems from the inherent instability of RL, particularly when using Actor-Critic (AC) methods to derive optimal policies, which often leads to unstable training processes. To address these issues, we introduce Direct Advantage Policy Optimization (DAPO), an novel step-level offline RL algorithm. Unlike standard alignment that rely solely outcome rewards to optimize policies (such as DPO), DAPO employs a critic function to predict the reasoning accuracy at each step, thereby generating dense signals to refine the generation strategy. Additionally, the Actor and Critic components in DAPO are trained independently, avoiding the co-training instability observed in standard AC algorithms like PPO. We train DAPO on mathematical and code query datasets and then evaluate its performance on multiple benchmarks. Our results show that DAPO can effectively enhance the mathematical and code capabilities on both SFT models and RL models, demonstrating the effectiveness of DAPO.

  • 8 authors
·
Dec 24, 2024

Stock Price Prediction Using CNN and LSTM-Based Deep Learning Models

Designing robust and accurate predictive models for stock price prediction has been an active area of research for a long time. While on one side, the supporters of the efficient market hypothesis claim that it is impossible to forecast stock prices accurately, many researchers believe otherwise. There exist propositions in the literature that have demonstrated that if properly designed and optimized, predictive models can very accurately and reliably predict future values of stock prices. This paper presents a suite of deep learning based models for stock price prediction. We use the historical records of the NIFTY 50 index listed in the National Stock Exchange of India, during the period from December 29, 2008 to July 31, 2020, for training and testing the models. Our proposition includes two regression models built on convolutional neural networks and three long and short term memory network based predictive models. To forecast the open values of the NIFTY 50 index records, we adopted a multi step prediction technique with walk forward validation. In this approach, the open values of the NIFTY 50 index are predicted on a time horizon of one week, and once a week is over, the actual index values are included in the training set before the model is trained again, and the forecasts for the next week are made. We present detailed results on the forecasting accuracies for all our proposed models. The results show that while all the models are very accurate in forecasting the NIFTY 50 open values, the univariate encoder decoder convolutional LSTM with the previous two weeks data as the input is the most accurate model. On the other hand, a univariate CNN model with previous one week data as the input is found to be the fastest model in terms of its execution speed.

  • 2 authors
·
Oct 21, 2020

FluidWorld: Reaction-Diffusion Dynamics as a Predictive Substrate for World Models

World models learn to predict future states of an environment, enabling planning and mental simulation. Current approaches default to Transformer-based predictors operating in learned latent spaces. This comes at a cost: O(N^2) computation and no explicit spatial inductive bias. This paper asks a foundational question: is self-attention necessary for predictive world modeling, or can alternative computational substrates achieve comparable or superior results? I introduce FluidWorld, a proof-of-concept world model whose predictive dynamics are governed by partial differential equations (PDEs) of reaction-diffusion type. Instead of using a separate neural network predictor, the PDE integration itself produces the future state prediction. In a strictly parameter-matched three-way ablation on unconditional UCF-101 video prediction (64x64, ~800K parameters, identical encoder, decoder, losses, and data), FluidWorld is compared against both a Transformer baseline (self-attention) and a ConvLSTM baseline (convolutional recurrence). While all three models converge to comparable single-step prediction loss, FluidWorld achieves 2x lower reconstruction error, produces representations with 10-15% higher spatial structure preservation and 18-25% more effective dimensionality, and critically maintains coherent multi-step rollouts where both baselines degrade rapidly. All experiments were conducted on a single consumer-grade PC (Intel Core i5, NVIDIA RTX 4070 Ti), without any large-scale compute. These results establish that PDE-based dynamics, which natively provide O(N) spatial complexity, adaptive computation, and global spatial coherence through diffusion, are a viable and parameter-efficient alternative to both attention and convolutional recurrence for world modeling.

  • 1 authors
·
Mar 22 2

A Lightweight Library for Energy-Based Joint-Embedding Predictive Architectures

We present EB-JEPA, an open-source library for learning representations and world models using Joint-Embedding Predictive Architectures (JEPAs). JEPAs learn to predict in representation space rather than pixel space, avoiding the pitfalls of generative modeling while capturing semantically meaningful features suitable for downstream tasks. Our library provides modular, self-contained implementations that illustrate how representation learning techniques developed for image-level self-supervised learning can transfer to video, where temporal dynamics add complexity, and ultimately to action-conditioned world models, where the model must additionally learn to predict the effects of control inputs. Each example is designed for single-GPU training within a few hours, making energy-based self-supervised learning accessible for research and education. We provide ablations of JEA components on CIFAR-10. Probing these representations yields 91% accuracy, indicating that the model learns useful features. Extending to video, we include a multi-step prediction example on Moving MNIST that demonstrates how the same principles scale to temporal modeling. Finally, we show how these representations can drive action-conditioned world models, achieving a 97% planning success rate on the Two Rooms navigation task. Comprehensive ablations reveal the critical importance of each regularization component for preventing representation collapse. Code is available at https://github.com/facebookresearch/eb_jepa.

  • 11 authors
·
Feb 3

Predictive, scalable and interpretable knowledge tracing on structured domains

Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress (''knowledge tracing''; KT), and the prerequisite structure of the learning domain (''knowledge mapping''). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and learning histories. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.

  • 4 authors
·
Mar 19, 2024

RegionE: Adaptive Region-Aware Generation for Efficient Image Editing

Recently, instruction-based image editing (IIE) has received widespread attention. In practice, IIE often modifies only specific regions of an image, while the remaining areas largely remain unchanged. Although these two types of regions differ significantly in generation difficulty and computational redundancy, existing IIE models do not account for this distinction, instead applying a uniform generation process across the entire image. This motivates us to propose RegionE, an adaptive, region-aware generation framework that accelerates IIE tasks without additional training. Specifically, the RegionE framework consists of three main components: 1) Adaptive Region Partition. We observed that the trajectory of unedited regions is straight, allowing for multi-step denoised predictions to be inferred in a single step. Therefore, in the early denoising stages, we partition the image into edited and unedited regions based on the difference between the final estimated result and the reference image. 2) Region-Aware Generation. After distinguishing the regions, we replace multi-step denoising with one-step prediction for unedited areas. For edited regions, the trajectory is curved, requiring local iterative denoising. To improve the efficiency and quality of local iterative generation, we propose the Region-Instruction KV Cache, which reduces computational cost while incorporating global information. 3) Adaptive Velocity Decay Cache. Observing that adjacent timesteps in edited regions exhibit strong velocity similarity, we further propose an adaptive velocity decay cache to accelerate the local denoising process. We applied RegionE to state-of-the-art IIE base models, including Step1X-Edit, FLUX.1 Kontext, and Qwen-Image-Edit. RegionE achieved acceleration factors of 2.57, 2.41, and 2.06. Evaluations by GPT-4o confirmed that semantic and perceptual fidelity were well preserved.

  • 10 authors
·
Oct 29, 2025 1

Continuous surrogates versus threshold Boolean networks for modeling Arabidopsis ISR gene regulation

Gene regulatory network modeling often requires balancing predictive accuracy and mechanistic interpretability. In this work, we compare continuous surrogate models and a discrete mechanistic model on the same Arabidopsis thaliana induced systemic resistance (ISR) dataset, using both the raw continuous gene-expression measurements and their sign-binarized representation. The study considers eight defense-related genes measured over nine time points and evaluates two continuous predictors, Random Forest (RF) regression and a Multi-Layer Perceptron (MLP), against a threshold Boolean network (TBN). The models are assessed using rolling-origin one-step prediction, recursive multi-step rollout, and interpretability analysis. RF achieved the best average one-step numerical performance in the continuous domain, with an MAE of 1.910 and an RMSE of 2.836, compared with 2.089 and 3.106 for the MLP. In the binary domain, the TBN obtained the best average one-step qualitative performance, with a binary accuracy of 0.550 and a Hamming distance of 3.600, compared with 0.500 and 4.000 for RF, and 0.495 and 4.040 for the MLP. In recursive rollout, the TBN exactly reproduced the observed binarized trajectory, while the MLP also showed near-perfect fidelity, with a trajectory binary accuracy of 0.986, and RF accumulated substantially larger deviation, with a trajectory binary accuracy of 0.708. These results highlight that local numerical accuracy and global qualitative dynamical fidelity are not necessarily aligned, and suggest that continuous surrogates and threshold Boolean networks should be viewed as complementary tools for modeling biological regulation.

  • 1 authors
·
Jul 24

RFMSR: Residual Flow Matching for Image Super-Resolution

Image super-resolution (ISR) has witnessed remarkable progress with diffusion models and flow matching. The dominant text-to-image (T2I) based approaches leverage large-scale foundation models as generative priors, achieving impressive perceptual quality but at the cost of massive model sizes and prohibitive training expenses. Recent flow-matching-based vision-only approaches have made significant strides; however, they adopt standard flow formulations that transport from a pure Gaussian prior to the data distribution, discarding the rich structural information already present in the low-quality (LQ) input. Furthermore, existing single-step acceleration techniques often forfeit the model's multi-step inference capability. In this paper, we propose Residual Flow Matching for Image Super-Resolution (RFMSR), a vision-only framework that centers the source distribution at the LQ latent, reducing transport distance and preserving structural priors throughout the flow trajectory. We further introduce a two-phase training strategy: Phase I pretrains the velocity field via conditional flow matching, while Phase II applies end-to-end supervision to the single-step prediction while retaining the velocity loss across all timesteps, achieving high-quality single-step generation without sacrificing multi-step refinement. Extensive experiments demonstrate that RFMSR achieves comparable or even superior perceptual quality compared to state-of-the-art (SOTA) methods. The source code is available at https://github.com/Faze-Hsw/RFMSR.

  • 5 authors
·
Jul 13

VisualPatchWorld: Code World Models as Latent Structured Representations for Planning

Different research lines use the term world model in different ways, yet they share a common aim: to capture how the world evolves under action in a form that supports perception, simulation, and planning. Two prominent realizations are neural predictors that learn dynamics in continuous vector spaces, and hand-built physics engines that expose explicit state and physical laws. Neural predictors scale from data but leave the form of the dynamics implicit; physics engines are inspectable and editable but difficult to construct at scale. We introduce VisualPatchWorld (VPW), which represents world dynamics as code. VPW first selects a qualitative dynamical form with short active probes, then fits that form's free parameters from recorded state-action traces by minimizing multi-step prediction error. The resulting programs can be rolled forward like a simulator, inspected in source form, and used inside model-predictive control; image-derived scene graphs can supply the live state at replan time. Across comparisons with prior code-based world models, VPW attains 69.0% mean planning success and exceeds the strongest code baseline by 23.5 points. The largest gains arise when choosing the correct qualitative dynamics is essential. Under the same planner, the induced models approach ground-truth engine success on navigation and grasp-rich control; a residual gap remains for contact-rich pushing, and checking a shortlist of promising plans in the engine closes most of that gap. These results establish a practical route toward automatically constructed code world models that are useful for planning. Code is available at https://github.com/HKBU-KnowComp/VisualPatchWorld/.

AnyStep-WAM: Budget-Aligned Distillation and Adaptive Inference for World Action Models

World-action models (WAMs) couple predictive visual modeling with action generation, typically relying on iterative denoising with a fixed denoising steps. However, manipulation tasks contain actions chunks with varying sensitivity to generation errors: critical actions require precision, while less sensitive actions allow faster generation with fewer denoising steps. Here we introduce AnyStep World Action Model, a general framework for tunable-budget prediction and scene-dependent computation allocation. Our budget-aligned teacher-trajectory distillation trains interval-conditioned flow maps using explicit frozen-teacher transitions and shared low-rank adapters, supporting action generation from one-step prediction to multi-step refinement. Building on this capability, a lightweight risk-benefit scheduler predicts teacher-curvature-based difficulty and budget-specific student-teacher fidelity from a single one-step preview, selecting the smallest budget predicted to satisfy risk-adaptive fidelity requirements. We evaluate our framework on three widely used WAMs Motus, FastWAM, and LingBotVA using RoboTwin 2.0. Our method reduces average denoising steps by 60.2%, 49.8%, and 85.28%, respectively, while maintaining baseline task success rates. In particular, our AnyStep training substantially improves model performance under a one-step denoising budget, increasing task success rates by 7.07%, 12.08%, and 8.94% on Motus, FastWAM, and LingBotVA, respectively. Experiments on six real-world manipulation tasks further validate its effectiveness.

  • 7 authors
·
Sep 26 2

ATLAS: Aligned Transport of Latent Structure for Reliable World Model Planning

Latent world models rely on representation geometry for planning, yet regularizing the latent marginal alone does not determine the state-to-state relationships used for action selection. We show that this can cause planning-relevant novelty structure to be weakened as representations are transformed into the final latent used by the planner. We introduce Aligned Transport of Latent Structure (ATLAS), a training objective that explicitly preserves relational geometry while calibrating the global latent distribution. ATLAS transfers normalized pairwise structure from an informative encoder representation to the planning latent and uses Wasserstein embedding matching (WEMReg) to calibrate its marginal through one-dimensional Wasserstein-2 transport. Our analysis shows that relational preservation and marginal calibration impose non-redundant constraints, and connects finite-candidate planning stability to relational distortion, latent-scale mismatch, and prediction error. Instantiated in LeWM, ATLAS improves mean goal-reaching success across PushT, TwoRoom, and OGBench-Cube on both lower- and higher-novelty evaluation subsets, with the largest gain on higher-novelty TwoRoom episodes. Representation and rollout diagnostics further show stronger novelty-related structure in the planning latent, improved marginal calibration, and lower multi-step prediction error. Together, these results highlight preservation of planning-relevant latent geometry as an important ingredient for reliable world-model planning. Code is available at https://anonymous.4open.science/r/atlas-world-model-72C4/.

Review of deep learning models for crypto price prediction: implementation and evaluation

There has been much interest in accurate cryptocurrency price forecast models by investors and researchers. Deep Learning models are prominent machine learning techniques that have transformed various fields and have shown potential for finance and economics. Although various deep learning models have been explored for cryptocurrency price forecasting, it is not clear which models are suitable due to high market volatility. In this study, we review the literature about deep learning for cryptocurrency price forecasting and evaluate novel deep learning models for cryptocurrency stock price prediction. Our deep learning models include variants of long short-term memory (LSTM) recurrent neural networks, variants of convolutional neural networks (CNNs), and the Transformer model. We evaluate univariate and multivariate approaches for multi-step ahead predicting of cryptocurrencies close-price. We also carry out volatility analysis on the four cryptocurrencies which reveals significant fluctuations in their prices throughout the COVID-19 pandemic. Additionally, we investigate the prediction accuracy of two scenarios identified by different training sets for the models. First, we use the pre-COVID-19 datasets to model cryptocurrency close-price forecasting during the early period of COVID-19. Secondly, we utilise data from the COVID-19 period to predict prices for 2023 to 2024. Our results show that the convolutional LSTM with a multivariate approach provides the best prediction accuracy in two major experimental settings. Our results also indicate that the multivariate deep learning models exhibit better performance in forecasting four different cryptocurrencies when compared to the univariate models.

  • 5 authors
·
May 18, 2024

What-If Analysis of Large Language Models: Explore the Game World Using Proactive Thinking

Large language models (LLMs) excel at processing information reactively but lack the ability to systemically explore hypothetical futures. They cannot ask, "what if we take this action? how will it affect the final outcome" and forecast its potential consequences before acting. This critical gap limits their utility in dynamic, high-stakes scenarios like strategic planning, risk assessment, and real-time decision making. To bridge this gap, we propose WiA-LLM, a new paradigm that equips LLMs with proactive thinking capabilities. Our approach integrates What-If Analysis (WIA), a systematic approach for evaluating hypothetical scenarios by changing input variables. By leveraging environmental feedback via reinforcement learning, WiA-LLM moves beyond reactive thinking. It dynamically simulates the outcomes of each potential action, enabling the model to anticipate future states rather than merely react to the present conditions. We validate WiA-LLM in Honor of Kings (HoK), a complex multiplayer game environment characterized by rapid state changes and intricate interactions. The game's real-time state changes require precise multi-step consequence prediction, making it an ideal testbed for our approach. Experimental results demonstrate WiA-LLM achieves a remarkable 74.2% accuracy in forecasting game-state changes (up to two times gain over baselines). The model shows particularly significant gains in high-difficulty scenarios where accurate foresight is critical. To our knowledge, this is the first work to formally explore and integrate what-if analysis capabilities within LLMs. WiA-LLM represents a fundamental advance toward proactive reasoning in LLMs, providing a scalable framework for robust decision-making in dynamic environments with broad implications for strategic applications.

  • 8 authors
·
Sep 5, 2025

AstraNav-World: World Model for Foresight Control and Consistency

Embodied navigation in open, dynamic environments demands accurate foresight of how the world will evolve and how actions will unfold over time. We propose AstraNav-World, an end-to-end world model that jointly reasons about future visual states and action sequences within a unified probabilistic framework. Our framework integrates a diffusion-based video generator with a vision-language policy, enabling synchronized rollouts where predicted scenes and planned actions are updated simultaneously. Training optimizes two complementary objectives: generating action-conditioned multi-step visual predictions and deriving trajectories conditioned on those predicted visuals. This bidirectional constraint makes visual predictions executable and keeps decisions grounded in physically consistent, task-relevant futures, mitigating cumulative errors common in decoupled "envision-then-plan" pipelines. Experiments across diverse embodied navigation benchmarks show improved trajectory accuracy and higher success rates. Ablations confirm the necessity of tight vision-action coupling and unified training, with either branch removal degrading both prediction quality and policy reliability. In real-world testing, AstraNav-World demonstrated exceptional zero-shot capabilities, adapting to previously unseen scenarios without any real-world fine-tuning. These results suggest that AstraNav-World captures transferable spatial understanding and planning-relevant navigation dynamics, rather than merely overfitting to simulation-specific data distribution. Overall, by unifying foresight vision and control within a single generative model, we move closer to reliable, interpretable, and general-purpose embodied agents that operate robustly in open-ended real-world settings.

  • 13 authors
·
Dec 25, 2025

Probabilistic NDVI Forecasting from Sparse Satellite Time Series and Weather Covariates

Short-term forecasting of vegetation dynamics is a key enabler for data-driven decision support in precision agriculture. Normalized Difference Vegetation Index (NDVI) forecasting from satellite observations, however, remains challenging due to sparse and irregular sampling caused by cloud masking, as well as the heterogeneous climatic conditions under which crops evolve. In this work, we propose a probabilistic forecasting framework for field-level NDVI prediction under sparse, irregular clear-sky acquisitions. The architecture separates the encoding of historical NDVI and meteorological observations from future exogenous covariates, fusing both representations for multi-step quantile prediction. To address irregular revisit patterns and horizon-dependent uncertainty, we introduce a temporal-distance weighted quantile loss that aligns the training objective with the effective forecasting horizon. In addition, we incorporate cumulative and extreme-weather feature engineering to capture delayed meteorological effects relevant to vegetation response. Experiments on European satellite data show that the proposed approach outperforms statistical, deep learning, and time-series baselines on both pointwise and probabilistic evaluation metrics. Ablation studies confirm that target history is the primary driver of performance, with meteorological covariates providing additional gains in the full multimodal setting. The code is available at https://github.com/arco-group/ndvi-forecasting.

  • 7 authors
·
May 6

WorldCast: Exploring Intelligent Visual Generation in World State Prediction

Humans interpret multimodal observations of the world and forecast how it will evolve. Recent multimodal generative systems have demonstrated similar capabilities: they can integrate multimodal context and synthesize visual outputs that depict changes in the world. To characterize this emerging trajectory, we organize model capabilities into a four-level hierarchy and discover that higher-level tasks remain relatively underexplored despite model progress. To bridge this gap, we explore model performance on multi-step world state prediction, a high-level task that requires models to forecast successive future world states from multimodal observations and diverse references. Such a task requires models to possess entangled understanding and generation capabilities, as well as extensive world knowledge to translate human action sequences, physical transformations, and abstract visual reasoning into coherent visual outputs. We introduce WorldCast, a benchmark comprising 320 manually designed cases across eight categories, and evaluate 12 representative models. The conducted experiments yield three key insights: (a) advances in frontier models are rapidly pushing the boundaries of intelligent world modeling, with the GPT-Image-2.5 System scoring 72.8 and demonstrating early-stage visual state prediction capabilities on real-world tasks; (b) WorldCast reveals substantial gaps between models: even Nano Banana Pro reaches only 42.8 and the best open-source model scores 20.1, with deficits in handling complex context, entangled references, and reasoning-heavy tasks; (c) strong generative models effectively draw on the capabilities of their underlying language models. These findings highlight the need for multimodal generative models that are capable of dynamic planning and reasoning while also being deeply unified to faithfully simulate real-world states.

meituan-longcat LongCat
·
Oct 13 1

EvoScene-VLA: Evolving Scene Beliefs Inside the Action Decoder for Chunked Robot Control

Chunked vision-language-action (VLA) policies predict multi-step robot controls, conditioning each update on the current visual observation alone. Yet robot actions cause contact, occlusion, and object motion, and the geometry that later decisions depend on can change before the next visual update arrives. Spatial VLAs improve current-frame geometry. Temporal VLAs aggregate past frames. Neither maintains an action-updated scene prior across chunks. We argue for a persistent action-updated scene state across control calls, and introduce EvoScene-VLA. Its recurrent scene prefix carries a geometry-aware scene state across chunks. At each vision-language model (VLM) call, the VLM combines scene information from the current observation with the action-updated prior from the previous chunk; the action decoder outputs both the next action chunk and a compact scene update. This update becomes the next prior, which the VLM corrects against the new observation when the next call arrives. Each control call therefore starts from a scene prior that reflects both recent actions and fresh visual evidence. During training, Scene Predictor supplies future scene-token targets, and Geometric Anchor aligns scene slots with frozen depth and 3D teachers. We discard both modules at deployment. On 31 RoboTwin tasks, EvoScene-VLA raises average success from 87.2% to 89.1% in fixed evaluation and from 86.1% to 88.5% in randomized evaluation. On the Galaxea R1-Lite real robot, EvoScene-VLA outperforms all baselines.

  • 6 authors
·
May 20

Hierarchical Text Classification Using Black Box Large Language Models

Hierarchical Text Classification (HTC) aims to assign texts to structured label hierarchies; however, it faces challenges due to data scarcity and model complexity. This study explores the feasibility of using black box Large Language Models (LLMs) accessed via APIs for HTC, as an alternative to traditional machine learning methods that require extensive labeled data and computational resources. We evaluate three prompting strategies -- Direct Leaf Label Prediction (DL), Direct Hierarchical Label Prediction (DH), and Top-down Multi-step Hierarchical Label Prediction (TMH) -- in both zero-shot and few-shot settings, comparing the accuracy and cost-effectiveness of these strategies. Experiments on two datasets show that a few-shot setting consistently improves classification accuracy compared to a zero-shot setting. While a traditional machine learning model achieves high accuracy on a dataset with a shallow hierarchy, LLMs, especially DH strategy, tend to outperform the machine learning model on a dataset with a deeper hierarchy. API costs increase significantly due to the higher input tokens required for deeper label hierarchies on DH strategy. These results emphasize the trade-off between accuracy improvement and the computational cost of prompt strategy. These findings highlight the potential of black box LLMs for HTC while underscoring the need to carefully select a prompt strategy to balance performance and cost.

  • 2 authors
·
Aug 6, 2025

Automatic Failure Attribution and Critical Step Prediction Method for Multi-Agent Systems Based on Causal Inference

Multi-agent systems (MAS) are critical for automating complex tasks, yet their practical deployment is severely hampered by the challenge of failure attribution. Current diagnostic tools, which rely on statistical correlations, are fundamentally inadequate; on challenging benchmarks like Who\&When, state-of-the-art methods achieve less than 15\% accuracy in locating the root-cause step of a failure. To address this critical gap, we introduce the first failure attribution framework for MAS grounded in multi-granularity causal inference. Our approach makes two key technical contributions: (1) a performance causal inversion principle, which correctly models performance dependencies by reversing the data flow in execution logs, combined with Shapley values to accurately assign agent-level blame; (2) a novel causal discovery algorithm, CDC-MAS, that robustly identifies critical failure steps by tackling the non-stationary nature of MAS interaction data. The framework's attribution results directly fuel an automated optimization loop, generating targeted suggestions whose efficacy is validated via counterfactual simulations. Evaluations on the Who\&When and TRAIL benchmarks demonstrate a significant leap in performance. Our method achieves up to 36.2\% step-level accuracy. Crucially, the generated optimizations boost overall task success rates by an average of 22.4\%. This work provides a principled and effective solution for debugging complex agent interactions, paving the way for more reliable and interpretable multi-agent systems.

  • 7 authors
·
Sep 10, 2025

PRompt Optimization in Multi-Step Tasks (PROMST): Integrating Human Feedback and Heuristic-based Sampling

Prompt optimization aims to find the best prompt to a large language model (LLM) for a given task. LLMs have been successfully used to help find and improve prompt candidates for single-step tasks. However, realistic tasks for agents are multi-step and introduce new challenges: (1) Prompt content is likely to be more extensive and complex, making it more difficult for LLMs to analyze errors, (2) the impact of an individual step is difficult to evaluate, and (3) different people may have varied preferences about task execution. While humans struggle to optimize prompts, they are good at providing feedback about LLM outputs; we therefore introduce a new LLM-driven discrete prompt optimization framework PRompt Optimization in Multi-Step Tasks (PROMST) that incorporates human-designed feedback rules to automatically offer direct suggestions for improvement. We also use an extra learned heuristic model that predicts prompt performance to efficiently sample from prompt candidates. This approach significantly outperforms both human-engineered prompts and several other prompt optimization methods across 11 representative multi-step tasks (an average 10.6\%-29.3\% improvement to current best methods on five LLMs respectively). We believe our work can serve as a benchmark for automatic prompt optimization for LLM-driven multi-step tasks. Datasets and Codes are available at https://github.com/yongchao98/PROMST. Project Page is available at https://yongchao98.github.io/MIT-REALM-PROMST.

  • 6 authors
·
Feb 13, 2024

Complexity-Based Prompting for Multi-Step Reasoning

We study the task of prompting large-scale language models to perform multi-step reasoning. Existing work shows that when prompted with a chain of thoughts (CoT), sequences of short sentences describing intermediate reasoning steps towards a final answer, large language models can generate new reasoning chains and predict answers for new inputs. A central question is which reasoning examples make the most effective prompts. In this work, we propose complexity-based prompting, a simple and effective example selection scheme for multi-step reasoning. We show that prompts with higher reasoning complexity, i.e., chains with more reasoning steps, achieve substantially better performance on multi-step reasoning tasks over strong baselines. We further extend our complexity-based criteria from prompting (selecting inputs) to decoding (selecting outputs), where we sample multiple reasoning chains from the model, then choose the majority of generated answers from complex reasoning chains (over simple chains). When used to prompt GPT-3 and Codex, our approach substantially improves multi-step reasoning accuracy and achieves new state-of-the-art (SOTA) performance on three math benchmarks (GSM8K, MultiArith, and MathQA) and two BigBenchHard tasks (Date Understanding and Penguins), with an average +5.3 and up to +18 accuracy improvements. Compared with existing example selection schemes like manual tuning or retrieval-based selection, selection based on reasoning complexity is intuitive, easy to implement, and annotation-efficient. Further results demonstrate the robustness of performance gains from complex prompts under format perturbation and distribution shift.

  • 5 authors
·
Oct 3, 2022

Persistent Robot World Models: Stabilizing Multi-Step Rollouts via Reinforcement Learning

Action-conditioned robot world models generate future video frames of the manipulated scene given a robot action sequence, offering a promising alternative for simulating tasks that are difficult to model with traditional physics engines. However, these models are optimized for short-term prediction and break down when deployed autoregressively: each predicted clip feeds back as context for the next, causing errors to compound and visual quality to rapidly degrade. We address this through the following contributions. First, we introduce a reinforcement learning (RL) post-training scheme that trains the world model on its own autoregressive rollouts rather than on ground-truth histories. We achieve this by adapting a recent contrastive RL objective for diffusion models to our setting and show that its convergence guarantees carry over exactly. Second, we design a training protocol that generates and compares multiple candidate variable-length futures from the same rollout state, reinforcing higher-fidelity predictions over lower-fidelity ones. Third, we develop efficient, multi-view visual fidelity rewards that combine complementary perceptual metrics across camera views and are aggregated at the clip level for dense, low-variance training signal. Fourth, we show that our approach establishes a new state-of-the-art for rollout fidelity on the DROID dataset, outperforming the strongest baseline on all metrics (e.g., LPIPS reduced by 14% on external cameras, SSIM improved by 9.1% on the wrist camera), winning 98% of paired comparisons, and achieving an 80% preference rate in a blind human study.

  • 4 authors
·
Mar 26

Chreode: A Cell World Model for One-Step Temporal Dynamics and Perturbation Prediction

Predicting how a cell will change its transcriptional state under a developmental signal or a genetic perturbation is the computational core of in-silico biology and the AI Virtual Cell program. Existing approaches either fit static control-to-treated maps that discard time, or solve multi-step ODE / Schrödinger-bridge problems on each dataset independently. We introduce Chreode, a one-step cell world model that predicts action-conditioned cell-state transitions through a structured residual transition operator. It shifts distributional evolution from inference time to training time, enabling single-pass generation while preserving a Waddington-inspired decomposition into downhill landscape flow, rotational in-tangent dynamics, and stochastic spread. The model is pretrained with a shared scVI encoder and a DiT-based dynamics backbone on a 2.4M-cell mouse embryonic atlas spanning 7 datasets. As a fine-tuning initialization, Chreode improves per-target Sinkhorn distance on Weinreb hematopoiesis and Veres islet differentiation over matched scratch models, PI-SDE, and PRESCIENT. As a transferable gene-state embedding for GEARS, the pretrained dynamics representation reduces shared-vocabulary DE20 mean squared error on Norman Perturb-seq from 0.2121 to 0.1858, a 12.4% relative improvement, without changing the GEARS training procedure. We interpret this transfer to perturbation prediction as evidence that pretrained developmental-trajectory dynamics encode differentiation primitives transferable to CRISPR-induced state shifts, since both involve cell-state transitions in a shared latent geometry. The pretrained backbone additionally produces zero-shot clonal fate scores on Weinreb that are competitive with strong dynamic-OT baselines.

  • 7 authors
·
May 26

V2XPnP: Vehicle-to-Everything Spatio-Temporal Fusion for Multi-Agent Perception and Prediction

Vehicle-to-everything (V2X) technologies offer a promising paradigm to mitigate the limitations of constrained observability in single-vehicle systems. Prior work primarily focuses on single-frame cooperative perception, which fuses agents' information across different spatial locations but ignores temporal cues and temporal tasks (e.g., temporal perception and prediction). In this paper, we focus on the spatio-temporal fusion in V2X scenarios and design one-step and multi-step communication strategies (when to transmit) as well as examine their integration with three fusion strategies - early, late, and intermediate (what to transmit), providing comprehensive benchmarks with 11 fusion models (how to fuse). Furthermore, we propose V2XPnP, a novel intermediate fusion framework within one-step communication for end-to-end perception and prediction. Our framework employs a unified Transformer-based architecture to effectively model complex spatio-temporal relationships across multiple agents, frames, and high-definition map. Moreover, we introduce the V2XPnP Sequential Dataset that supports all V2X collaboration modes and addresses the limitations of existing real-world datasets, which are restricted to single-frame or single-mode cooperation. Extensive experiments demonstrate our framework outperforms state-of-the-art methods in both perception and prediction tasks. The codebase and dataset will be released to facilitate future V2X research.

  • 14 authors
·
Dec 2, 2024

Bridging Past and Future: End-to-End Autonomous Driving with Historical Prediction and Planning

End-to-end autonomous driving unifies tasks in a differentiable framework, enabling planning-oriented optimization and attracting growing attention. Current methods aggregate historical information either through dense historical bird's-eye-view (BEV) features or by querying a sparse memory bank, following paradigms inherited from detection. However, we argue that these paradigms either omit historical information in motion planning or fail to align with its multi-step nature, which requires predicting or planning multiple future time steps. In line with the philosophy of future is a continuation of past, we propose BridgeAD, which reformulates motion and planning queries as multi-step queries to differentiate the queries for each future time step. This design enables the effective use of historical prediction and planning by applying them to the appropriate parts of the end-to-end system based on the time steps, which improves both perception and motion planning. Specifically, historical queries for the current frame are combined with perception, while queries for future frames are integrated with motion planning. In this way, we bridge the gap between past and future by aggregating historical insights at every time step, enhancing the overall coherence and accuracy of the end-to-end autonomous driving pipeline. Extensive experiments on the nuScenes dataset in both open-loop and closed-loop settings demonstrate that BridgeAD achieves state-of-the-art performance.

  • 4 authors
·
Mar 18, 2025

Beyond One-Step Accuracy: State-Affine Latent Transition for Reliable Visual Planning

Joint-embedding world models enable visual planning by learning action-conditioned dynamics in latent space. Yet they are commonly trained for one-step prediction on encoded states, while planning recursively applies the learned transition to its own predictions. One-step accuracy therefore does not capture how prediction errors propagate under recursive rollout. We decompose multi-step rollout error into the errors introduced at individual steps and their propagation through subsequent transitions. We show that state-affine dynamics are precisely the differentiable transitions with state-independent Jacobians, eliminating the nonlinear propagation residual and making the error propagation operators depend only on the action sequence. Guided by this result, we introduce SALT (State-Affine Latent Transition), an action-conditioned state-affine dynamics model in which the action modulates both the state transformation and the additive update. We train SALT through recursive multi-step rollout supervision, feeding each predicted latent state back into the transition so that training matches how the model is used during planning. Across four visual planning environments, SALT exhibits 1.48--2.19times higher one-step prediction error than the matched LeWM baseline, yet improves closed-loop success in every environment by 10.0 percentage points on average. On OGBench-Cube, the fraction of episodes that fail with a sharp rise in model-predicted cost after execution decreases from 23.3% to 2.0%.

  • 4 authors
·
Sep 26

Can an Agent Learn to Predict Its Own Failure? Outcome-Grounded Confidence Calibration in LLM Agents

Controlling an acting LLM agent means deciding, at each step of a long-horizon task, whether to trust its next action, abstain, or hand off to a human. That decision needs a per-step confidence signal predicting whether the current rollout will eventually succeed. The agent's own self-reported verbalized confidence is the natural candidate, but existing reinforcement learning methods calibrate it against the correctness of a decision at the current step. We propose a method to calibrate it against the eventual outcome of a multi-step episode: under GRPO, the group of rollouts for a task supplies success labels, and a proper scoring rule scores each step's confidence against the realized outcome. In offline RL on recorded trajectories of a Qwen2.5-7B agent in ALFWorld, TextWorld, and WebShop environments, the AUROC of step confidence against episode outcome rises from near chance to 0.68-0.85, and the top-10% of steps the agent is most confident about succeed ~4.3x more often than average. In online RL on the live ALFWorld agent, four calibration rewards improve early-step AUROC, expected calibration error goes from 0.42 to below 0.12, and selective execution improves over both the untrained agent and a format-only RL control, without degrading task success. We also introduce an evaluation protocol that separates episode depth, task difficulty, and attempt-level foresight, which shows where the gain lies: the trained agent recognizes from its first step which tasks it will fail, while telling a succeeding attempt from a failing one at the same task is harder, with some early-window signal emerging on TextWorld.

SAP SAP
·
Oct 12 2

Unlock Predictable Scaling from Emergent Abilities

The scientific scale-up of large language models (LLMs) necessitates a comprehensive understanding of their scaling properties. However, the existing literature on the scaling properties only yields an incomplete answer: optimization loss decreases predictably as the model size increases, in line with established scaling law; yet no scaling law for task has been established and the task performances are far from predictable during scaling. Task performances typically show minor gains on small models until they improve dramatically once models exceed a size threshold, exemplifying the ``emergent abilities''. In this study, we discover that small models, although they exhibit minor performance, demonstrate critical and consistent task performance improvements that are not captured by conventional evaluation strategies due to insufficient measurement resolution. To measure such improvements, we introduce PassUntil, an evaluation strategy through massive sampling in the decoding phase. We conduct quantitative investigations into the scaling law of task performance. Firstly, a strict task scaling law is identified, enhancing the predictability of task performances. Remarkably, we are able to predict the performance of the 2.4B model on code generation with merely 0.05\% deviation before training starts. Secondly, underpinned by PassUntil, we observe concrete evidence of emergent abilities and ascertain that they are not in conflict with the continuity of performance improvement. Their semblance to break-through is that their scaling curve cannot be fitted by standard scaling law function. We then introduce a mathematical definition for the emergent abilities. Through the definition, we refute a prevalent ``multi-step reasoning hypothesis'' regarding the genesis of emergent abilities and propose a new hypothesis with a satisfying fit to the observed scaling curve.

  • 12 authors
·
Oct 4, 2023

DRFLOW: A Deep Research Benchmark for Personalized Workflow Prediction

Deep research (DR) systems are increasingly used for complex information-seeking tasks, but existing works mainly focus on generating reports and summaries. In contrast, many enterprise tasks instead require an agent to identify concrete workflows which is a sequence of action-steps. For example, rather than summarizing budgeting policies, an agent should be able to determine the steps needed to answer a question such as: "How do I request new headcount given a fixed budget?". Therefore, we introduce DRFLOW, a benchmark for evaluating personalized workflows predicted by agents from heterogeneous sources. Each task requires the agent to identify relevant evidence from scattered sources, then use that evidence to predict the correct action-step sequence for the user's task. DRFLOW contains 100 tasks across five domains, with 1,246 reference workflow steps grounded in more than 3,900 sources. We define seven diagnostic metrics covering factual grounding, step recovery, structural ordering, condition resolution, and personalization. We further present DRFLOW-Agent (DRFA), a workflow-oriented reference agent to predict personalized workflow. We show that although DRFA improves over strong baseline agents (upto 10.02% average F1 score), there is substantial room for improvement remains across these workflow metrics, indicating that predicting complete and correct personalized workflows remains a challenging frontier for deep research.

  • 5 authors
·
Jun 16

Noise-Started One-Step Real-World Super-Resolution via LR-Conditioned SplitMeanFlow and GAN Refinement

Pre-trained text-to-image (T2I) diffusion models have shown strong potential for real-world image super-resolution (Real-ISR), owing to their noise-started generation process that enables realistic texture synthesis and captures the one-to-many nature of super-resolution. However, diffusion-based Real-ISR methods still face a fundamental efficiency-quality trade-off. Multi-step methods generate high-quality results by iteratively denoising random Gaussian noise under LR conditioning, but suffer from slow sampling. Recent one-step methods greatly improve efficiency, yet they typically replace noise-started generation with direct LR-to-HR restoration, which weakens stochasticity and limits realistic detail synthesis. To address this issue, we propose SMFSR, a noise-started one-step Real-ISR framework via LR-conditioned SplitMeanFlow and GAN refinement. SMFSR preserves the random-noise starting point of diffusion models and learns a direct noise-to-HR mapping conditioned on the LR image. To this end, Interval Splitting Consistency distills the multi-step generative trajectory into a single average-velocity prediction, enabling efficient one-step generation. To compensate for the reduced opportunity for progressive refinement, we further introduce a GAN refinement stage, where a DINOv3-based discriminator enhances realistic texture synthesis and variational score distillation aligns the generated outputs with the natural image distribution under a frozen diffusion teacher. Extensive experiments demonstrate that SMFSR achieves state-of-the-art perceptual quality among one-step diffusion-based Real-ISR methods while retaining fast single-step inference.

  • 6 authors
·
May 9

Efficient Graph Generation via Direct Prediction and Flow Matching

Generative modeling of graph-structured data is crucial for tasks ranging from drug discovery to social network simulation. Among these models, denoising diffusion models have achieved great success in graph generation by learning to progressively reverse a process that adds noise to the original graph. However, the standard noise-prediction approach of diffusion models is suboptimal for graph data. The goal for a graph generative model is to learn the clean graphs' topological properties, such as connectivity and degree distribution. Because a diffusion model that predicts noise does not explicitly learn these topological properties, it is challenging for the model to output graphs with the desired structural statistics. To address this challenge, we introduce Direct Graph Flow Matching (DiGFM), a novel graph transformer model guided by two goals: predict clean graphs and improve sampling efficiency. Distinct from the prevailing diffusion approach, DiGFM employs a continuous flow-matching paradigm and integrates direct graph prediction. Specifically, DiGFM maps the prior noise distribution to the clean graph distribution via a multi-step process: the model repeatedly predicts the underlying clean graph, and a transformation is employed to convert the model output to the velocity vector that points in the direction toward the clean graph distribution. This design enables DiGFM to generate high-quality samples using only 2.5% to 15.6% of the steps required by diffusion-based models, which leads to a 5.3x to 257x speedup in wall-clock inference time. Experiments demonstrate that DiGFM outperforms or matches prior state-of-the-art models across general graph benchmarks and molecular datasets, generating graphs with strong adherence to ground-truth structural statistics at significantly faster inference speeds.

  • 1 authors
·
Oct 4

Temporal-Distance JEPA: Plan-Aware Representation Learning for Latent World Model Predictive Control

Joint-Embedding Predictive Architectures (JEPAs) learn world models by predicting in representation space rather than reconstructing pixels, making them a natural backbone for latent model predictive control from offline demonstration logs. JEPA-style training optimizes short-horizon latent prediction, whereas planning requires a multi-step ranking of imagined futures by goal progress. Prior JEPA planners often inherit that ranking from embedding geometry, typically latent Euclidean distance, which arises as a byproduct of representation learning rather than as a progress cost mined from the logs. We propose temporal-distance JEPA (TD-JEPA), which retains the LeWM encoder--predictor backbone and mines a directed temporal cost from reward-free trajectories: same-trajectory step order supplies positive targets, cross-trajectory pairs act as heuristic negatives, and a rollout-consistency term matches the planner horizon. The mined supervision serves two roles: as the deployed planning cost when progress is topological, and as a representation signal that improves Euclidean planning when contact geometry dominates. Under locked evaluation, deploying the mined cost raises Two-Room success to 100.0% versus LeWM's 97.4%, while shared Euclidean planning on the same temporally trained checkpoint raises OGB-Cube by 14.2 points over LeWM and improves Push-T. Against LeWM and the concurrent RC-aux baseline under locked evaluation, TD-JEPA matches or exceeds both methods on every environment. Ablations show that the directed head, cross-trajectory negatives, and rollout consistency each contribute. TD-JEPA narrows the train--plan gap for JEPA world-model planners by discovering temporal progress structure in offline logs and co-designing cost form with plan-time deployment. Code is available at https://github.com/HKBU-KnowComp/TD-JEPA.

P-JEPA: Procedural Video Representation Learning via Joint Embedding Predictive Architecture

The increasing maturity of embodied AI platforms has driven a growing interest in procedural video representation learning to support intelligent assistance systems for complex, multi-step tasks. Leveraging large-scale latent predictive training, video foundation models capture video dynamics, enabling downstream tasks such as activity understanding, spatiotemporal localization, and predictive control. However, procedural videos include actions with long-range dependencies that these models do not support, due to the quadratic complexity of self-attention. Distinct actions, for example, may be visually similar despite appearing at different points in the procedure, such as turning the stove on versus off. Here, we propose a backbone-agnostic approach that learns long-duration video representations by reducing the problem to a dense, frame-aligned action space and predicting pooled masked latent vectors. This approach allows our Procedural Joint Embedding Predictive Architecture (P-JEPA) to ingest videos over 30 minutes long, enabling effective long-form understanding of procedural steps. We evaluate P-JEPA using features extracted with VJEPA2.1, TSM, and I3D over the EgoExo4D, EgoProceL, and Assembly101 datasets, finding that it consistently improves linear separability, streaming inference, and temporal action segmentation performance, achieving state-of-the-art results on EgoExo4D fine-grained action classification while using an order of magnitude fewer parameters than LLM-based methods and running in real time.

  • 7 authors
·
Jun 21

Lotus: Diffusion-based Visual Foundation Model for High-quality Dense Prediction

Leveraging the visual priors of pre-trained text-to-image diffusion models offers a promising solution to enhance zero-shot generalization in dense prediction tasks. However, existing methods often uncritically use the original diffusion formulation, which may not be optimal due to the fundamental differences between dense prediction and image generation. In this paper, we provide a systemic analysis of the diffusion formulation for the dense prediction, focusing on both quality and efficiency. And we find that the original parameterization type for image generation, which learns to predict noise, is harmful for dense prediction; the multi-step noising/denoising diffusion process is also unnecessary and challenging to optimize. Based on these insights, we introduce Lotus, a diffusion-based visual foundation model with a simple yet effective adaptation protocol for dense prediction. Specifically, Lotus is trained to directly predict annotations instead of noise, thereby avoiding harmful variance. We also reformulate the diffusion process into a single-step procedure, simplifying optimization and significantly boosting inference speed. Additionally, we introduce a novel tuning strategy called detail preserver, which achieves more accurate and fine-grained predictions. Without scaling up the training data or model capacity, Lotus achieves SoTA performance in zero-shot depth and normal estimation across various datasets. It also significantly enhances efficiency, being hundreds of times faster than most existing diffusion-based methods.

  • 9 authors
·
Sep 26, 2024 2

Agentic AI for Remote Sensing: Technical Challenges and Research Directions

Earth Observation (EO) is moving beyond static prediction toward multi-step analytical workflows that require coordinated reasoning over data, tools, and geospatial state. While foundation models and vision-language models have advanced representation learning and language-grounded interaction in remote sensing, and agentic AI has shown strong potential for long-horizon reasoning and tool use, EO is not a straightforward extension of generic agentic AI. EO workflows operate on georeferenced, multi-modal, and temporally structured data, where operations such as reprojection, resampling, compositing, and aggregation transform the underlying state and can constrain later analysis. As a result, errors may propagate silently across steps, and correctness depends not only on internal coherence but also on geospatial consistency, temporally valid comparisons, and physical validity. This position paper argues that these challenges are structural rather than incidental. We examine the assumptions commonly made in generic agentic systems, analyze how they break in geospatial workflows, and characterize failure modes in multi-step EO pipelines. We then outline design principles for EO-native agents centered on structured geospatial state, tool-aware reasoning, verifier-guided execution, and validity-aware learning and evaluation. Building reliable geospatial agents, therefore, requires rethinking agent design around the physical, geospatial, and workflow constraints that govern EO analysis.

  • 8 authors
·
May 31

HMAR: Efficient Hierarchical Masked Auto-Regressive Image Generation

Visual Auto-Regressive modeling (VAR) has shown promise in bridging the speed and quality gap between autoregressive image models and diffusion models. VAR reformulates autoregressive modeling by decomposing an image into successive resolution scales. During inference, an image is generated by predicting all the tokens in the next (higher-resolution) scale, conditioned on all tokens in all previous (lower-resolution) scales. However, this formulation suffers from reduced image quality due to the parallel generation of all tokens in a resolution scale; has sequence lengths scaling superlinearly in image resolution; and requires retraining to change the sampling schedule. We introduce Hierarchical Masked Auto-Regressive modeling (HMAR), a new image generation algorithm that alleviates these issues using next-scale prediction and masked prediction to generate high-quality images with fast sampling. HMAR reformulates next-scale prediction as a Markovian process, wherein the prediction of each resolution scale is conditioned only on tokens in its immediate predecessor instead of the tokens in all predecessor resolutions. When predicting a resolution scale, HMAR uses a controllable multi-step masked generation procedure to generate a subset of the tokens in each step. On ImageNet 256x256 and 512x512 benchmarks, HMAR models match or outperform parameter-matched VAR, diffusion, and autoregressive baselines. We develop efficient IO-aware block-sparse attention kernels that allow HMAR to achieve faster training and inference times over VAR by over 2.5x and 1.75x respectively, as well as over 3x lower inference memory footprint. Finally, HMAR yields additional flexibility over VAR; its sampling schedule can be changed without further training, and it can be applied to image editing tasks in a zero-shot manner.

  • 9 authors
·
Jun 4, 2025

AutoTimes: Autoregressive Time Series Forecasters via Large Language Models

Foundation models of time series have not been fully developed due to the limited availability of time series corpora and the underexploration of scalable pre-training. Based on the similar sequential formulation of time series and natural language, increasing research demonstrates the feasibility of leveraging large language models (LLM) for time series. Nevertheless, the inherent autoregressive property and decoder-only architecture of LLMs have not been fully considered, resulting in insufficient utilization of LLM abilities. To fully revitalize the general-purpose token transition and multi-step generation capability of large language models, we propose AutoTimes to repurpose LLMs as autoregressive time series forecasters, which projects time series into the embedding space of language tokens and autoregressively generates future predictions with arbitrary lengths. Compatible with any decoder-only LLMs, the consequent forecaster exhibits the flexibility of the lookback length and scalability with larger LLMs. Further, we formulate time series as prompts, extending the context for prediction beyond the lookback window, termed in-context forecasting. By introducing LLM-embedded textual timestamps, AutoTimes can utilize chronological information to align multivariate time series. Empirically, AutoTimes achieves state-of-the-art with 0.1% trainable parameters and over 5times training/inference speedup compared to advanced LLM-based forecasters. Code is available at this repository: https://github.com/thuml/AutoTimes.

  • 5 authors
·
Feb 4, 2024

FoldingAgent: Inferring Parametric Origami Procedures from Demonstration Videos

We present FoldingAgent, an agentic framework for inferring explicit parametric folding programs directly from origami demonstration videos. Our framework leverages the reasoning power of a pre-trained Vision-Language Model (VLM) equipped with a suite of specialized tools that enable the agent to simulate geometric transitions, verify physical plausibility, retrieve and compare visual content, and evaluate its own predictions. To translate visual content into folding programs, we define a parametric space that consists of the paper's geometry and a set of parametric folding actions. Unlike models that predict static crease patterns, our agent operates sequentially and possesses the ability to re-plan its actions, effectively mitigating the compounding errors inherent in multi-step folding. Our approach takes a step toward closing the gap between human origami knowledge, which is primarily shared through unstructured visual demonstrations, and computational methods, which typically rely on structured, parametric representations such as a crease pattern or an executable parametric plan. We evaluate our approach on PurelandFold, a newly curated benchmark of diverse Pureland origami videos with ground-truth geometry and action labels. Our results demonstrate that by combining VLM reasoning with a set of specialized tools and physical simulation, we can successfully transform unstructured visual demonstrations into executable, physically plausible folding procedures.

  • 4 authors
·
Aug 30 3

Drift-Constrained Optimization: Only Direction Matters in Fine-Tuning Instruct Models

Fine-tuning instruct models often improves target performance while inducing behavioral drift from the reference model, which can degrade existing capabilities. Rather than treating this drift as an uncontrolled consequence of optimization, we specify a behavioral drift budget before optimization and ask how to boost the target-task performance within it. Locally, behavioral drift induces a shared geometry anchored at the reference model, with the drift budget defining a boundary within this space. In this space, drift determines distance from the reference, leaving update direction as the remaining degree of freedom. Fine-tuning updates can therefore be compared through their directional efficiency, naturally reformulating fine-tuning as a direction-selection problem. This reformulation makes a concrete prediction: changing the accessible directions can qualitatively alter the outcome of fine-tuning. We test this prediction in a stringent QA-only setting, where strong instruct models are fine-tuned only on final answers but must still generate multi-step reasoning at inference. Despite this mismatch, a coarse layer-selective probe reverses the failure of QA-only fine-tuning and reveals the existence of effective directions, with multiple neighboring configurations improving target performance while preserving reasoning and general capabilities. Across Qwen3-8B and Qwen3-14B, these directions substantially improve scientific reasoning and multilingual translation. Over more than 100 languages, the resulting models match or outperform dedicated translation systems and provide a stronger initialization for subsequent reinforcement learning. Our results suggest that fine-tuning is not just about how much a model changes, but how that change is spent. https://github.com/CONE-MT/DCO and https://huggingface.co/collections/LLaMAX/dco

  • 6 authors
·
Sep 11 2

SDGBiasBench: Benchmarking and Mitigating Vision--Language Models' Biases in Sustainable Development Goals

Assessing progress toward the Sustainable Development Goals (SDGs) requires multi-step reasoning over visual cues, contextual knowledge, and development indicators, where incomplete evidence use and imperfect evidence integration can introduce hidden prediction biases. Real-world SDG monitoring further spans both qualitative judgments and quantitative estimation. However, existing benchmarks typically evaluate these aspects in isolation, obscuring systematic biases that emerge when models substitute priors for evidence. To address this gap, we propose SDGBiasBench, a large-scale benchmark suite for SDG-oriented vision-language reasoning. Spanning 500k expert-involved multiple-choice questions and 50k regression tasks, the benchmark enables comprehensive assessment of both decision-level and estimation-level bias in Vision--Language Models (VLMs). Evaluations on SDGBiasBench reveal an intrinsic SDG bias in current VLMs, where predictions are frequently driven by SDG specific priors rather than reliable multi-modal cues. To mitigate such bias, we propose CADE (Contrastive Adaptive Debias Ensemble), a training-free, plug-and-play method that leverages modality-specific answer priors. CADE yields significant gains on the proposed benchmark, improving multiple-choice accuracy by up to 25% and reducing regression MAE by up to 12 points across multiple VLMs. We hope our work can foster the development of more fair and reliable AI systems for sustainable development.

  • 4 authors
·
Aug 27

COPlanner: Plan to Roll Out Conservatively but to Explore Optimistically for Model-Based RL

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose COPlanner, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. COPlanner leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, COPlanner can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. COPlanner is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with COPlanner.

  • 7 authors
·
Oct 11, 2023

Back to the Future: Towards Explainable Temporal Reasoning with Large Language Models

Temporal reasoning is a crucial NLP task, providing a nuanced understanding of time-sensitive contexts within textual data. Although recent advancements in LLMs have demonstrated their potential in temporal reasoning, the predominant focus has been on tasks such as temporal expression and temporal relation extraction. These tasks are primarily designed for the extraction of direct and past temporal cues and to engage in simple reasoning processes. A significant gap remains when considering complex reasoning tasks such as event forecasting, which requires multi-step temporal reasoning on events and prediction on the future timestamp. Another notable limitation of existing methods is their incapability to provide an illustration of their reasoning process, hindering explainability. In this paper, we introduce the first task of explainable temporal reasoning, to predict an event's occurrence at a future timestamp based on context which requires multiple reasoning over multiple events, and subsequently provide a clear explanation for their prediction. Our task offers a comprehensive evaluation of both the LLMs' complex temporal reasoning ability, the future event prediction ability, and explainability-a critical attribute for AI applications. To support this task, we present the first multi-source instruction-tuning dataset of explainable temporal reasoning (ExpTime) with 26k derived from the temporal knowledge graph datasets and their temporal reasoning paths, using a novel knowledge-graph-instructed-generation strategy. Based on the dataset, we propose the first open-source LLM series TimeLlaMA based on the foundation LlaMA2, with the ability of instruction following for explainable temporal reasoning. We compare the performance of our method and a variety of LLMs, where our method achieves the state-of-the-art performance of temporal prediction and explanation.

  • 4 authors
·
Oct 2, 2023

DTRec: Learning Dynamic Reasoning Trajectories for Sequential Recommendation

Inspired by advances in LLMs, reasoning-enhanced sequential recommendation performs multi-step deliberation before making final predictions, unlocking greater potential for capturing user preferences. However, current methods are constrained by static reasoning trajectories that are ill-suited for the diverse complexity of user behaviors. They suffer from two key limitations: (1) a static reasoning direction, which uses flat supervision signals misaligned with human-like hierarchical reasoning, and (2) a fixed reasoning depth, which inefficiently applies the same computational effort to all users, regardless of pattern complexity. These rigidity lead to suboptimal performance and significant computational waste. To overcome these challenges, we propose DTRec, a novel and effective framework that explores the Dynamic reasoning Trajectory for Sequential Recommendation along both direction and depth. To guide the direction, we develop Hierarchical Process Supervision (HPS), which provides coarse-to-fine supervisory signals to emulate the natural, progressive refinement of human cognitive processes. To optimize the depth, we introduce the Adaptive Reasoning Halting (ARH) mechanism that dynamically adjusts the number of reasoning steps by jointly monitoring three indicators. Extensive experiments on three real-world datasets demonstrate the superiority of our approach, achieving up to a 24.5% performance improvement over strong baselines while simultaneously reducing computational cost by up to 41.6%.

  • 6 authors
·
Dec 15, 2025

Parameter-Efficient Quantum-Inspired Fast Weight Programmers for Traffic-Matrix Forecasting

Traffic matrices (TMs) capture network-wide origin-destination demand and are central to traffic engineering, yet accurate whole-matrix forecasting remains challenging when prediction must be performed under the memory, update, and training-budget constraints of online network control. This paper investigates whether compact quantum-inspired recurrent models can provide effective TM forecasts without relying on dedicated graph, transformer, or diffusion modules. We adapt gated quantum-inspired Kolmogorov-Arnold network fast-weight programmers (QKAN-FWPs) to direct multi-step Abilene TM forecasting, where each model predicts the next 20 five-minute frames of a 144-channel origin-destination (OD) matrix from a two-hour history. We benchmark three QKAN placement variants against a matched-size long short-term memory (LSTM) network, a larger LSTM, and a classical gated fast-weight programmer under a shared fixed-budget training protocol. Among the evaluated recurrent models, G-QKANFWP achieves the best pooled root-mean-square error (RMSE), while using only 22.4% of the larger LSTM. It also outperforms both the matched-size LSTM and the classical G-FWP baseline, indicating that the gain is not due to gated fast-weight framework alone. Convergence and channel-wise analyses further show that the quantum-inspired variants obtain lower validation-loss area under the learning curve (AULC) than matched-size recurrent baselines, while G-QKANFWP and GQKAN-FWP achieve substantially more OD-channel wins. These results identify a classical slow programmer with a quantum-inspired fast programmer as a promising accuracy-efficiency design for resource-conscious network traffic-matrix forecasting.

  • 6 authors
·
Jun 25 2

ChemBART: A Pre-trained BART Model Assisting Organic Chemistry Analysis

Recent advances in large language models (LLMs) have demonstrated transformative potential across diverse fields. While LLMs have been applied to molecular simplified molecular input line entry system (SMILES) in computer-aided synthesis planning (CASP), existing methodologies typically address single tasks, such as precursor prediction. We introduce ChemBART, a SMILES-based LLM pre-trained on chemical reactions, which enables a unified model for multiple downstream chemical tasks--achieving the paradigm of "one model, one pre-training, multiple tasks." By leveraging outputs from a mask-filling pre-training task on reaction expressions, ChemBART effectively solves a variety of chemical problems, including precursor/reagent generation, temperature-yield regression, molecular property classification, and optimizing the policy and value functions within a reinforcement learning framework, integrated with Monte Carlo tree search for multi-step synthesis route design. Unlike single-molecule pre-trained LLMs constrained to specific applications, ChemBART addresses broader chemical challenges and integrates them for comprehensive synthesis planning. Crucially, ChemBART-designed multi-step synthesis routes and reaction conditions directly inspired wet-lab validation, which confirmed shorter pathways with ~30% yield improvement over literature benchmarks. Our work validates the power of reaction-focused pre-training and showcases the broad utility of ChemBART in advancing the complete synthesis planning cycle.

  • 7 authors
·
Jan 5

Fast Reasoning Segmentation for Images and Videos

Reasoning segmentation enables open-set object segmentation via implicit text queries, therefore serving as a foundation for embodied agents that should operate autonomously in real-world environments. However, existing methods for reasoning segmentation require multimodal large language models with billions of parameters that exceed the computational capabilities of edge devices that typically deploy the embodied AI systems. Distillation offers a pathway to compress these models while preserving their capabilities. Yet, existing distillation approaches fail to transfer the multi-step reasoning capabilities that reasoning segmentation demands, as they focus on matching output predictions and intermediate features rather than preserving reasoning chains. The emerging paradigm of reasoning over digital twin representations presents an opportunity for more effective distillation by re-framing the problem. Consequently, we propose FastReasonSeg, which employs digital twin representations that decouple perception from reasoning to enable more effective distillation. Our distillation scheme first relies on supervised fine-tuning on teacher-generated reasoning chains. Then it is followed by reinforcement fine-tuning with joint rewards evaluating both segmentation accuracy and reasoning quality alignment. Experiments on two video (JiTBench, RVTBench) and two image benchmarks (ReasonSeg, LLM-Seg40K) demonstrate that our FastReasonSeg achieves state-of-the-art reasoning segmentation performance. Moreover, the distilled 0.6B variant outperforms models with 20 times more parameters while achieving 7.79 FPS throughput with only 2.1GB memory consumption. This efficiency enables deployment in resource-constrained environments to enable real-time reasoning segmentation.

  • 2 authors
·
Nov 14, 2025

Architecting Resilient LLM Agents: A Guide to Secure Plan-then-Execute Implementations

As Large Language Model (LLM) agents become increasingly capable of automating complex, multi-step tasks, the need for robust, secure, and predictable architectural patterns is paramount. This paper provides a comprehensive guide to the ``Plan-then-Execute'' (P-t-E) pattern, an agentic design that separates strategic planning from tactical execution. We explore the foundational principles of P-t-E, detailing its core components - the Planner and the Executor - and its architectural advantages in predictability, cost-efficiency, and reasoning quality over reactive patterns like ReAct (Reason + Act). A central focus is placed on the security implications of this design, particularly its inherent resilience to indirect prompt injection attacks by establishing control-flow integrity. We argue that while P-t-E provides a strong foundation, a defense-in-depth strategy is necessary, and we detail essential complementary controls such as the Principle of Least Privilege, task-scoped tool access, and sandboxed code execution. To make these principles actionable, this guide provides detailed implementation blueprints and working code references for three leading agentic frameworks: LangChain (via LangGraph), CrewAI, and AutoGen. Each framework's approach to implementing the P-t-E pattern is analyzed, highlighting unique features like LangGraph's stateful graphs for re-planning, CrewAI's declarative tool scoping for security, and AutoGen's built-in Docker sandboxing. Finally, we discuss advanced patterns, including dynamic re-planning loops, parallel execution with Directed Acyclic Graphs (DAGs), and the critical role of Human-in-the-Loop (HITL) verification, to offer a complete strategic blueprint for architects, developers, and security engineers aiming to build production-grade, resilient, and trustworthy LLM agents.

  • 3 authors
·
Sep 9, 2025

Community Research Earth Digital Intelligence Twin (CREDIT)

Recent advancements in artificial intelligence (AI) for numerical weather prediction (NWP) have significantly transformed atmospheric modeling. AI NWP models outperform traditional physics-based systems, such as the Integrated Forecast System (IFS), across several global metrics while requiring fewer computational resources. However, existing AI NWP models face limitations related to training datasets and timestep choices, often resulting in artifacts that reduce model performance. To address these challenges, we introduce the Community Research Earth Digital Intelligence Twin (CREDIT) framework, developed at NSF NCAR. CREDIT provides a flexible, scalable, and user-friendly platform for training and deploying AI-based atmospheric models on high-performance computing systems. It offers an end-to-end pipeline for data preprocessing, model training, and evaluation, democratizing access to advanced AI NWP capabilities. We demonstrate CREDIT's potential through WXFormer, a novel deterministic vision transformer designed to predict atmospheric states autoregressively, addressing common AI NWP issues like compounding error growth with techniques such as spectral normalization, padding, and multi-step training. Additionally, to illustrate CREDIT's flexibility and state-of-the-art model comparisons, we train the FUXI architecture within this framework. Our findings show that both FUXI and WXFormer, trained on six-hourly ERA5 hybrid sigma-pressure levels, generally outperform IFS HRES in 10-day forecasts, offering potential improvements in efficiency and forecast accuracy. CREDIT's modular design enables researchers to explore various models, datasets, and training configurations, fostering innovation within the scientific community.

  • 10 authors
·
Nov 8, 2024

DreamMimic: Learning Visuomotor Whole-Body Loco-Manipulation via World Model

Vision-based whole-body loco-manipulation on humanoid robots is challenging due to partial observability, contact-rich dynamics, and the difficulty of learning long-horizon behaviors from high-dimensional visual inputs. We present https://github.com/DreamMimic/DreamMimic{DreamMimic}, a framework that distills privileged teacher policies into vision-based humanoid controllers via world-model-assisted distillation. Instead of using a Dreamer-style RSSM for planning, we repurpose it to learn predictive latent dynamics that serve as both a representation space and an action-conditioned multi-step supervision signal, while exposing compact predictive features to the student policy to reduce long-term drift. Beyond standard reconstruction objectives for proprioceptive and visual observations, we add auxiliary prediction heads for privileged state, contact, object state, and reward estimation. These heads provide additional supervision related to agent--object interaction and task progress, encouraging the latent representation to retain signals that are useful for contact-rich loco-manipulation. We further introduce Performance-Conditioned Guidance (PCG), a reward-driven adaptive distillation schedule that computes performance scores for both teacher and student to dynamically balance guidance and exploration. PCG prevents both premature teacher annealing and excessive teacher interference in challenging visual settings. Experiments on OMOMO and BEHAVE show improved tracking-based loco-manipulation performance over strong vision-based baselines, without exposing online privileged interaction states to the student at deployment. Qualitative simulations further examine morphology and simulator changes. These results suggest that world models can provide a useful mechanism for stabilizing visual policy distillation in contact-rich humanoid behaviors.

  • 2 authors
·
Aug 22

Fragile Knowledge, Robust Instruction-Following: The Width Pruning Dichotomy in Llama-3.2

Structured width pruning of GLU-MLP layers, guided by the Maximum Absolute Weight (MAW) criterion, reveals a systematic dichotomy in how reducing the expansion ratio affects different model capabilities. While performance on tasks relying on parametric knowledge (e.g., MMLU, GSM8K) and perplexity metrics degrades predictably, instruction-following capabilities improve substantially (+46% to +75% in IFEval for Llama-3.2-1B and 3B models), and multi-step reasoning remains robust (MUSR). This pattern challenges the prevailing assumption that pruning induces uniform degradation. We evaluated seven expansion ratio configurations using comprehensive benchmarks assessing factual knowledge, mathematical reasoning, language comprehension, instruction-following, and truthfulness. Our analysis identifies the expansion ratio as a critical architectural parameter that selectively modulates cognitive capabilities, rather than merely serving as a compression metric. We provide the first systematic characterization of this selective preservation phenomenon. Notably, we document a robust inverse correlation (r = -0.864, p = 0.012 in Llama-3B) between factual knowledge capacity (MMLU) and truthfulness metrics (TruthfulQA-MC2): as knowledge degrades, the model's ability to discriminate misconceptions improves consistently. This connects two previously distinct research areas, demonstrating that MAW-guided width pruning acts as a selective filter, reducing parametric knowledge while preserving or enhancing behavioral alignment. Additionally, we quantify context-dependent efficiency trade-offs: pruned configurations achieve up to 23% reduction in energy consumption (J/token) but incur penalties in single-request latency, whereas batch processing workloads benefit uniformly.

  • 1 authors
·
Dec 27, 2025 1

From Features to Actions: Explainability in Traditional and Agentic AI Systems

Over the last decade, explainable AI has primarily focused on interpreting individual model predictions, producing post-hoc explanations that relate inputs to outputs under a fixed decision structure. Recent advances in large language models (LLMs) have enabled agentic AI systems whose behaviour unfolds over multi-step trajectories. In these settings, success and failure are determined by sequences of decisions rather than a single output. While useful, it remains unclear how explanation approaches designed for static predictions translate to agentic settings where behaviour emerges over time. In this work, we bridge the gap between static and agentic explainability by comparing attribution-based explanations with trace-based diagnostics across both settings. To make this distinction explicit, we empirically compare attribution-based explanations used in static classification tasks with trace-based diagnostics used in agentic benchmarks (TAU-bench Airline and AssistantBench). Our results show that while attribution methods achieve stable feature rankings in static settings (Spearman ρ= 0.86), they cannot be applied reliably to diagnose execution-level failures in agentic trajectories. In contrast, trace-grounded rubric evaluation for agentic settings consistently localizes behaviour breakdowns and reveals that state tracking inconsistency is 2.7times more prevalent in failed runs and reduces success probability by 49\%. These findings motivate a shift towards trajectory-level explainability for agentic systems when evaluating and diagnosing autonomous AI behaviour. Resources: https://github.com/VectorInstitute/unified-xai-evaluation-framework https://vectorinstitute.github.io/unified-xai-evaluation-framework

MedSPOT: A Workflow-Aware Sequential Grounding Benchmark for Clinical GUI

Despite the rapid progress of Multimodal Large Language Models (MLLMs), their ability to perform reliable visual grounding in high-stakes clinical software environments remains underexplored. Existing GUI benchmarks largely focus on isolated, single-step grounding queries, overlooking the sequential, workflow-driven reasoning required in real-world medical interfaces, where tasks evolve across independent steps and dynamic interface states. We introduce MedSPOT, a workflow-aware sequential grounding benchmark for clinical GUI environments. Unlike prior benchmarks that treat grounding as a standalone prediction task, MedSPOT models procedural interaction as a sequence of structured spatial decisions. The benchmark comprises 216 task-driven videos with 597 annotated keyframes, in which each task consists of 2 to 3 interdependent grounding steps within realistic medical workflows. This design captures interface hierarchies, contextual dependencies, and fine-grained spatial precision under evolving conditions. To evaluate procedural robustness, we propose a strict sequential evaluation protocol that terminates task assessment upon the first incorrect grounding prediction, explicitly measuring error propagation in multi-step workflows. We further introduce a comprehensive failure taxonomy, including edge bias, small-target errors, no prediction, near miss, far miss, and toolbar confusion, to enable systematic diagnosis of model behavior in clinical GUI settings. By shifting evaluation from isolated grounding to workflow-aware sequential reasoning, MedSPOT establishes a realistic and safety-critical benchmark for assessing multimodal models in medical software environments. Code and data are available at: https://github.com/Tajamul21/MedSPOT.

  • 5 authors
·
Mar 20

Med-CMR: A Fine-Grained Benchmark Integrating Visual Evidence and Clinical Logic for Medical Complex Multimodal Reasoning

MLLMs MLLMs are beginning to appear in clinical workflows, but their ability to perform complex medical reasoning remains unclear. We present Med-CMR, a fine-grained Medical Complex Multimodal Reasoning benchmark. Med-CMR distinguishes from existing counterparts by three core features: 1) Systematic capability decomposition, splitting medical multimodal reasoning into fine-grained visual understanding and multi-step reasoning to enable targeted evaluation; 2) Challenging task design, with visual understanding across three key dimensions (small-object detection, fine-detail discrimination, spatial understanding) and reasoning covering four clinically relevant scenarios (temporal prediction, causal reasoning, long-tail generalization, multi-source integration); 3) Broad, high-quality data coverage, comprising 20,653 Visual Question Answering (VQA) pairs spanning 11 organ systems and 12 imaging modalities, validated via a rigorous two-stage (human expert + model-assisted) review to ensure clinical authenticity. We evaluate 18 state-of-the-art MLLMs with Med-CMR, revealing GPT-5 as the top-performing commercial model: 57.81 accuracy on multiple-choice questions (MCQs) and a 48.70 open-ended score, outperforming Gemini 2.5 Pro (49.87 MCQ accuracy, 45.98 open-ended score) and leading open-source model Qwen3-VL-235B-A22B (49.34 MCQ accuracy, 42.62 open-ended score). However, specialized medical MLLMs do not reliably outperform strong general models, and long-tail generalization emerges as the dominant failure mode. Med-CMR thus provides a stress test for visual-reasoning integration and rare-case robustness in medical MLLMs, and a rigorous yardstick for future clinical systems.

  • 12 authors
·
Mar 30

DPM-Solver-v3: Improved Diffusion ODE Solver with Empirical Model Statistics

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

  • 4 authors
·
Oct 20, 2023 2

TimeRFT: Stimulating Generalizable Time Series Forecasting for TSFMs via Reinforcement Finetuning

Time Series Foundation Models (TSFMs) advance generalization and data efficiency in time series forecasting by unified large-scale pretraining. But TSFMs remain lacking when adapting to specific downstream forecasting tasks for two reasons. First, the non-stationary and uncertain nature of time series data lead to inevitable temporal distribution shifts between historical training and future testing data, while current Supervised FineTuning (SFT)-based methods are prone to overfitting and may degrade generalization. Second, training data availability varies across forecasting tasks, requiring TSFMs to generalize well under diverse data regimes. To address these challenges, we introduce the Time series Reinforcement Finetuning (TimeRFT) paradigm for TSFM downstream adaptation, which consists of two task-specific training recipes: i) A forecasting quality-based temporal reward mechanism that conducts a multi-faceted evaluation of the contribution of each prediction step to overall forecasting accuracy. ii) A forecasting difficulty-based data selection strategy to identify time series samples with generalizable predictive patterns and informative training signals. Extensive experiments demonstrate TimeRFT can consistently outperform SFT-based adaptation methods across various real-world forecasting tasks and training data regimes, enhancing prediction accuracy and generalization against unforeseen distribution shifts.

HKUSTGZ HKUSTGZ
·
Apr 17

Predictive Multiplicity in Probabilistic Classification

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given multiple models that perform almost equally well for a prediction task, to what extent do predictions vary across these models? If predictions are relatively consistent for similar models, then the standard approach of choosing the model that optimizes a penalized loss suffices. But what if predictions vary significantly for similar models? In machine learning, this is referred to as predictive multiplicity i.e. the prevalence of conflicting predictions assigned by near-optimal competing models. In this paper, we present a framework for measuring predictive multiplicity in probabilistic classification (predicting the probability of a positive outcome). We introduce measures that capture the variation in risk estimates over the set of competing models, and develop optimization-based methods to compute these measures efficiently and reliably for convex empirical risk minimization problems. We demonstrate the incidence and prevalence of predictive multiplicity in real-world tasks. Further, we provide insight into how predictive multiplicity arises by analyzing the relationship between predictive multiplicity and data set characteristics (outliers, separability, and majority-minority structure). Our results emphasize the need to report predictive multiplicity more widely.

  • 3 authors
·
Jun 2, 2022

M2TRec: Metadata-aware Multi-task Transformer for Large-scale and Cold-start free Session-based Recommendations

Session-based recommender systems (SBRSs) have shown superior performance over conventional methods. However, they show limited scalability on large-scale industrial datasets since most models learn one embedding per item. This leads to a large memory requirement (of storing one vector per item) and poor performance on sparse sessions with cold-start or unpopular items. Using one public and one large industrial dataset, we experimentally show that state-of-the-art SBRSs have low performance on sparse sessions with sparse items. We propose M2TRec, a Metadata-aware Multi-task Transformer model for session-based recommendations. Our proposed method learns a transformation function from item metadata to embeddings, and is thus, item-ID free (i.e., does not need to learn one embedding per item). It integrates item metadata to learn shared representations of diverse item attributes. During inference, new or unpopular items will be assigned identical representations for the attributes they share with items previously observed during training, and thus will have similar representations with those items, enabling recommendations of even cold-start and sparse items. Additionally, M2TRec is trained in a multi-task setting to predict the next item in the session along with its primary category and subcategories. Our multi-task strategy makes the model converge faster and significantly improves the overall performance. Experimental results show significant performance gains using our proposed approach on sparse items on the two datasets.

  • 5 authors
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Sep 23, 2022