Deep Learning
Fading to Grow: Growing Preference Ratios via Preference Fading Discrete Diffusion for Recommendation
Recommenders aim to rank items from a discrete item corpus in line with user interests, yet suffer from extremely sparse user preference data. Recent advances in diffusion models have inspired diffusion-based recommenders, which alleviate sparsity by injecting noise during a forward process to prevent the collapse of perturbed preference distributions. However, current diffusion-based recommenders predominantly rely on continuous Gaussian noise, which is intrinsically mismatched with the discrete nature of user preference data in recommendation. In this paper, building upon recent advances in discrete diffusion, we propose PreferGrow, a discrete diffusion-based recommender system that models preference ratios by fading and growing user preferences over the discrete item corpus. PreferGrow differs from existing diffusion-based recommenders in three core aspects: (1) Discrete modeling of preference ratios: PreferGrow models relative preference ratios between item pairs, rather than operating in the item representation or raw score simplex.
Reducing the Probability of Undesirable Outputs in Language Models Using Probabilistic Inference
Reinforcement learning (RL) has become a predominant technique to align language models (LMs) with human preferences or promote outputs which are deemed to be desirable by a given reward function. Standard RL approaches optimize average reward, while methods explicitly focused on reducing the probability of undesired outputs typically come at a cost to average-case performance. To improve this tradeoff, we introduce RePULSe, a new training method that augments the standard RL loss with an additional loss that uses learned proposals to guide sampling low-reward outputs, and then reduces those outputs' probability. We run experiments demonstrating that RePULSe produces a better tradeoff of expected reward versus the probability of undesired outputs and is more adversarially robust, compared to standard RL alignment approaches and alternatives.
Iterative Self-Incentivization Empowers Large Language Models as Agentic Searchers
Large language models have been widely integrated into information retrieval to advance traditional techniques. However, effectively enabling LLMs to seek accurate knowledge in complex tasks remains a challenge due to the complexity of multi-hop queries as well as the irrelevant retrieved content. To address these limitations, we propose EXSEARCH, an agentic search framework, where the LLM learns to retrieve useful information as the reasoning unfolds through a selfincentivized process. At each step, the LLM decides what to retrieve (thinking), triggers an external retriever (search), and extracts fine-grained evidence (recording) to support next-step reasoning. To enable LLM with this capability, EXSEARCH adopts a generalized expectation-maximization algorithm.
ACloser Look at TabPFN v2: Understanding Its Strengths and Extending Its Capabilities
Tabular datasets are inherently heterogeneous, presenting significant challenges for developing pre-trained foundation models. The recently introduced transformerbased Tabular Prior-data Fitted Network v2 (TabPFN v2) achieves unprecedented in-context learning performance across diverse downstream datasets, marking a pivotal advancement in tabular foundation models. In this paper, we take a closer look at TabPFN v2 to examine how it effectively handles heterogeneity and achieves high predictive accuracy, and to explore how its limitations in high-dimensional, many-category, and large-scale tasks can be mitigated. We find that TabPFN v2 can infer attribute relationships even when provided with randomized attribute token inputs, eliminating the need to explicitly learn dataset-specific attribute embeddings to address heterogeneity. We further show that TabPFN v2 can be transformed into a feature extractor, revealing its ability to construct a highly separable feature space for accurate predictions. Lastly, we demonstrate that TabPFN v2's limitations can be addressed through a test-time divide-and-conquer strategy, enabling scalable inference without requiring re-training. By uncovering the mechanisms behind TabPFN v2's success and introducing strategies to extend its applicability, this study offers key insights into the design of future tabular foundation models.
DyMoDreamer: World Modeling with Dynamic Modulation
A critical bottleneck in deep reinforcement learning (DRL) is sample inefficiency, as training high-performance agents often demands extensive environmental interactions. Model-based reinforcement learning (MBRL) mitigates this by building world models that simulate environmental dynamics and generate synthetic experience, improving sample efficiency. However, conventional world models process observations holistically, failing to decouple dynamic objects and temporal features from static backgrounds. This approach is computationally inefficient, especially for visual tasks where dynamic objects significantly influence rewards and decisionmaking performance. To address this, we introduce DyMoDreamer, a novel MBRL algorithm that incorporates a dynamic modulation mechanism to improve the extraction of dynamic features and enrich the temporal information. DyMoDreamer employs differential observations derived from a novel inter-frame differencing mask, explicitly encoding object-level motion cues and temporal dynamics. Dynamic modulation is modeled as stochastic categorical distributions and integrated into a recurrent state-space model (RSSM), enhancing the model's focus on rewardrelevant dynamics. Experiments demonstrate that DyMoDreamer sets a new stateof-the-art on the Atari 100k benchmark with a 156.6% mean human-normalized score, establishes a new record of 832 on the DeepMind Visual Control Suite, and gains a 9.5% performance improvement after 1M steps on the Crafter benchmark.
Appendix ABroader Impacts
The proposed research on pre-training temporal graph neural networks across multiple networks has the potential to advance the field of machine learning and its applications significantly. By introducing methodologies to enhance the scalability and transferability of TGNNs, this work could revolutionize areas like network security, financial fraud detection, and real-time social network analysis, where dynamic and adaptive models are essential. The publicly available dataset of 84 Ethereum-based temporal networks will serve as a valuable resource for the research community, fostering innovation and collaboration. Furthermore, the principles of multi-network pre-training introduced here can inspire analogous advances in other temporal data domains, such as healthcare, transportation, and climate science. This research opens up a new direction in training generalizable temporal graph models that, for the first time, can be trained on distinct temporal networks, paving the way for Temporal Graph Foundation Models. This work also introduces a set of Ethereum transaction token networks, which are publicly available to users who have the necessary resources, such as fast SSDs, large RAM, and ample disk space, to synchronize Ethereum clients and manually extract blocks. Additionally, all Ethereum data is accessible on numerous Ethereum explorer sites such as etherscan.io. An Ethereum user's privacy depends on whether personally identifiable information (PII) is associated with any of their blockchain address, which serves as account handles and are considered pseudonymous. If such PII were obtained from other sources, our datasets could potentially be used to link Ethereum addresses. However, real-life identities can only be discovered using IP tracking information, which we neither have nor share. Our data does not contain any PII. Furthermore, we have developed a request to exclude an address from the dataset. Benchmark datasets have become fundamental for advancing graph machine learning, providing a common ground to evaluate models and facilitate the development of graph foundation models. Early graph ML studies often relied on a handful of small, static benchmark graphs (e.g., citation networks like Cora/Citeseer and molecular graphs from the TU collection [37]).
MiNT: Multi-Network Transfer Benchmark for Temporal Graph Learning
Temporal Graph Learning (TGL) aims to discover patterns in evolving networks or temporal graphs and leverage these patterns to predict future interactions. However, most existing research focuses on learning from a single network in isolation, leaving the challenges of within-domain and cross-domain generalization largely unaddressed. In this study, we introduce a new benchmark of 84 real-world temporal transaction networks and propose Temporal Multi-network Transfer (MiNT), a pre-training framework designed to capture transferable temporal dynamics across diverse networks. We train MiNT models on up to 64 transaction networks and evaluate their generalization ability on 20 held-out, unseen networks. Our results show that MiNT consistently outperforms individually trained models, revealing a strong relation between the number of pre-training networks and transfer performance. These findings highlight scaling trends in temporal graph learning and underscore the importance of network diversity in improving generalization. This work establishes the first large-scale benchmark for studying transferability in TGL and lays the groundwork for developing Temporal Graph Foundation Models.
TimeXL: Explainable Multi-modal Time Series Prediction with LLM-in-the-Loop
Time series analysis provides essential insights for real-world system dynamics and informs downstream decision-making, yet most existing methods often overlook the rich contextual signals present in auxiliary modalities. To bridge this gap, we introduce TimeXL, a multi-modal prediction framework that integrates a prototypebased time series encoder with three collaborating Large Language Models (LLMs) to deliver more accurate predictions and interpretable explanations. First, a multimodal prototype-based encoder processes both time series and textual inputs to generate preliminary forecasts alongside case-based rationales. These outputs then feed into a prediction LLM, which refines the forecasts by reasoning over the encoder's predictions and explanations. Next, a reflection LLM compares the predicted values against the ground truth, identifying textual inconsistencies or noise. Guided by this feedback, a refinement LLM iteratively enhances text quality and triggers encoder retraining. This closed-loop workflow--prediction, critique (reflect), and refinement--continuously boosts the framework's performance and interpretability. Empirical evaluations on four real-world datasets demonstrate that TimeXL achieves up to 8.9% improvement in AUC and produces human-centric, multi-modal explanations, highlighting the power of LLM-driven reasoning for time series prediction.
MolVision: Molecular Property Prediction with Vision Language Models
Molecular property prediction is a fundamental task in computational chemistry with critical applications in drug discovery and materials science. While recent works have explored Large Language Models (LLMs) for this task, they primarily rely on textual molecular representations such as SMILES/SELFIES, which can be ambiguous and structurally less informative. In this work, we introduce MolVision, a novel approach that leverages Vision-Language Models (VLMs) by integrating both molecular structure as images and textual descriptions to enhance property prediction. We construct a benchmark spanning ten diverse datasets, covering classification, regression and description tasks. Evaluating nine different VLMs in zero-shot, few-shot, and fine-tuned settings, we find that visual information improves prediction performance, particularly when combined with efficient fine-tuning strategies such as LoRA. Our results reveal that while visual information alone is insufficient, multimodal fusion significantly enhances generalization across molecular properties. Adaptation of vision encoder for molecular images in conjunction with LoRA further improves the performance.