arXiv subjects

Liang Zeng

Publications and source records attributed to Liang Zeng.

At least 37 records · Page 2Linked to original sources

arXiv2025

PANGAEA: A Global and Inclusive Benchmark for Geospatial Foundation Models

Geospatial Foundation Models (GFMs) have emerged as powerful tools for extracting representations from Earth observation data, but their evaluation remains inconsistent and narrow. Existing works often evaluate on suboptimal downstream datasets and tasks, that are often too easy or too narrow, limiting the usefulness of the evaluations to assess the real-world applicability of GFMs. Additionally, there is a distinct lack of diversity in current evaluation protocols, which fail to account for the multiplicity of image resolutions, sensor types, and temporalities, which further complicates the assessment of GFM performance. In particular, most existing benchmarks are geographically biased towards North America and Europe, questioning the global applicability of GFMs. To overcome these challenges, we introduce PANGAEA, a standardized evaluation protocol that covers a diverse set of datasets, tasks, resolutions, sensor modalities, and temporalities. It establishes a robust and widely applicable benchmark for GFMs. We evaluate the most popular GFMs openly available on this benchmark and analyze their performance across several domains. In particular, we compare these models to supervised baselines (e.g. UNet and vanilla ViT), and assess their effectiveness when faced with limited labeled data. Our findings highlight the limitations of GFMs, under different scenarios, showing that they do not consistently outperform supervised models. PANGAEA is designed to be highly extensible, allowing for the seamless inclusion of new datasets, models, and tasks in future research. By releasing the evaluation code and benchmark, we aim to enable other researchers to replicate our experiments and build upon our work, fostering a more principled evaluation protocol for large pre-trained geospatial models. The code is available at https://github.com/VMarsocci/pangaea-bench.

cs.CV↗

arXiv2025

Rapid passage to ordered states in Rydberg atom arrays

Given a finite lifetime, a ubiquitous challenge in quantum systems is how to prepare a target state in the shortest possible time. This issue is particularly relevant for Rydberg atom arrays in optical tweezers where the dephasing time is typically restricted to a few microseconds. In this work, we develop a rapid passage to ordered many-body states in a Rydberg atomic chain, which allows the transition of the system to various ordered phases in the phase diagram, such as the Z$_2$-, Z$_3$-, and Z$_4$-ordered antiferromagnetic states. Our scheme ramps the parameter in a "non-adiabatic to quasi-adiabatic to non-adiabatic (NQN)" manner. The NQN configuration significantly reduces the time cost required for the state preparation using entirely adiabatic methods, and is generally appliable to sizable number of atoms. Moreover, we experimentally validate the NQN scheme on the neutral-atom quantum cloud computer Aquila.

quant-ph↗

arXiv2025

Mammo-Clustering: A Multi-views Tri-level Information Fusion Context Clustering Framework for Localization and Classification in Mammography

Breast cancer is a significant global health issue, and the diagnosis of breast imaging has always been challenging. Mammography images typically have extremely high resolution, with lesions occupying only a very small area. Down-sampling in neural networks can easily lead to the loss of microcalcifications or subtle structures, making it difficult for traditional neural network architectures to address these issues. To tackle these challenges, we propose a Context Clustering Network with triple information fusion. Firstly, compared to CNNs or transformers, we find that Context clustering methods (1) are more computationally efficient and (2) can more easily associate structural or pathological features, making them suitable for the clinical tasks of mammography. Secondly, we propose a triple information fusion mechanism that integrates global information, feature-based local information, and patch-based local information. The proposed approach is rigorously evaluated on two public datasets, Vindr-Mammo and CBIS-DDSM, using five independent splits to ensure statistical robustness. Our method achieves an AUC of 0.828 on Vindr-Mammo and 0.805 on CBIS-DDSM, outperforming the next best method by 3.1% and 2.4%, respectively. These improvements are statistically significant (p<0.05), underscoring the benefits of Context Clustering Network with triple information fusion. Overall, our Context Clustering framework demonstrates strong potential as a scalable and cost-effective solution for large-scale mammography screening, enabling more efficient and accurate breast cancer detection. Access to our method is available at https://github.com/Sohyu1/Mammo_Clustering.

cs.CV↗

arXiv2025

SAT-LDM: Provably Generalizable Image Watermarking for Latent Diffusion Models with Self-Augmented Training

The rapid proliferation of AI-generated images necessitates effective watermarking techniques to protect intellectual property and detect fraudulent content. While existing training-based watermarking methods show promise, they often struggle with generalizing across diverse prompts and tend to introduce visible artifacts. To this end, we propose a novel, provably generalizable image watermarking approach for Latent Diffusion Models, termed Self-Augmented Training (SAT-LDM). Our method aligns the training and testing phases through a free generation distribution, thereby enhancing the watermarking module's generalization capabilities. We theoretically consolidate SAT-LDM by proving that the free generation distribution contributes to its tight generalization bound, without the need for additional data collection. Extensive experiments show that SAT-LDM not only achieves robust watermarking but also significantly improves the quality of watermarked images across a wide range of prompts. Moreover, our experimental analyses confirm the strong generalization abilities of SAT-LDM. We hope that our method provides a practical and efficient solution for securing high-fidelity AI-generated content.

cs.LG↗

arXiv2025

Machine Learning Relationships between Nanoporous Structures and Electrochemical Performance in MOF Supercapacitors

The development of supercapacitors is impeded by the unclear relationships between nanoporous electrode structures and electrochemical performance, primarily due to challenges in decoupling the complex interdependencies of various structural descriptors. While machine learning (ML) techniques offer a promising solution, their application is hindered by the lack of large, unified databases. Herein, we use constant-potential molecular simulation to construct a unified supercapacitor database with hundreds of metal-organic framework (MOF) electrodes. Leveraging this database, well-trained decision-tree-based ML models achieve fast, accurate, and interpretable predictions of capacitance and charging rate, experimentally validated by a representative case. SHAP analyses reveal that specific surface area (SSA) governs gravimetric capacitance while pore size effects are minimal, attributed to the strong dependence of electrode-ion coordination on SSA rather than pore size. SSA and porosity, respectively, dominate volumetric capacitance in 1D-pore and 3D-pore MOFs, pinnacling the indispensable effects of pore dimensionality. Meanwhile, porosity is found to be the most decisive factor in the charging rate for both 1D-pore and 3D-pore MOFs. Especially for 3D-pore MOFs, an exponential increase with porosity is observed in both ionic conductance and in-pore ion diffusion coefficient, ascribed to loosened ion packing. These findings provide profound insights for the design of high-performance supercapacitor electrodes.

cond-mat.mtrl-sci↗

arXiv2024

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.

cs.AI↗

arXiv2024

Skywork-Reward: Bag of Tricks for Reward Modeling in LLMs

In this report, we introduce a collection of methods to enhance reward modeling for LLMs, focusing specifically on data-centric techniques. We propose effective data selection and filtering strategies for curating high-quality open-source preference datasets, culminating in the Skywork-Reward data collection, which contains only 80K preference pairs -- significantly smaller than existing datasets. Using this curated dataset, we developed the Skywork-Reward model series -- Skywork-Reward-Gemma-27B and Skywork-Reward-Llama-3.1-8B -- with the former currently holding the top position on the RewardBench leaderboard. Notably, our techniques and datasets have directly enhanced the performance of many top-ranked models on RewardBench, highlighting the practical impact of our contributions in real-world preference learning applications.

cs.AI↗

arXiv2024

Q*: Improving Multi-step Reasoning for LLMs with Deliberative Planning

Large Language Models (LLMs) have demonstrated impressive capability in many natural language tasks. However, the auto-regressive generation process makes LLMs prone to produce errors, hallucinations and inconsistent statements when performing multi-step reasoning. In this paper, by casting multi-step reasoning of LLMs as a heuristic search problem, we aim to alleviate the pathology by introducing Q*, a general, versatile and agile framework for guiding LLMs decoding process with deliberative planning. By learning a plug-and-play Q-value model as heuristic function for estimating expected future rewards, our Q* can effectively guide LLMs to select the most promising next reasoning step without fine-tuning LLMs for the current task, which avoids the significant computational overhead and potential risk of performance degeneration on other tasks. Extensive experiments on GSM8K, MATH and MBPP demonstrate the superiority of our method, contributing to improving the reasoning performance of existing open-source LLMs.

cs.AI↗

arXiv2024

Skywork-Math: Data Scaling Laws for Mathematical Reasoning in Large Language Models -- The Story Goes On

In this paper, we investigate the underlying factors that potentially enhance the mathematical reasoning capabilities of large language models (LLMs). We argue that the data scaling law for math reasoning capabilities in modern LLMs is far from being saturated, highlighting how the model's quality improves with increases in data quantity. To support this claim, we introduce the Skywork-Math model series, supervised fine-tuned (SFT) on common 7B LLMs using our proposed 2.5M-instance Skywork-MathQA dataset. Skywork-Math 7B has achieved impressive accuracies of 51.2% on the competition-level MATH benchmark and 83.9% on the GSM8K benchmark using only SFT data, outperforming an early version of GPT-4 on MATH. The superior performance of Skywork-Math models contributes to our novel two-stage data synthesis and model SFT pipelines, which include three different augmentation methods and a diverse seed problem set, ensuring both the quantity and quality of Skywork-MathQA dataset across varying difficulty levels. Most importantly, we provide several practical takeaways to enhance math reasoning abilities in LLMs for both research and industry applications.

cs.AI↗

arXiv2024

Trade When Opportunity Comes: Price Movement Forecasting via Locality-Aware Attention and Iterative Refinement Labeling

Price movement forecasting, aimed at predicting financial asset trends based on current market information, has achieved promising advancements through machine learning (ML) methods. Most existing ML methods, however, struggle with the extremely low signal-to-noise ratio and stochastic nature of financial data, often mistaking noises for real trading signals without careful selection of potentially profitable samples. To address this issue, we propose LARA, a novel price movement forecasting framework with two main components: Locality-Aware Attention (LA-Attention) and Iterative Refinement Labeling (RA-Labeling). (1) LA-Attention, enhanced by metric learning techniques, automatically extracts the potentially profitable samples through masked attention scheme and task-specific distance metrics. (2) RA-Labeling further iteratively refines the noisy labels of potentially profitable samples, and combines the learned predictors robust to the unseen and noisy samples. In a set of experiments on three real-world financial markets: stocks, cryptocurrencies, and ETFs, LARA significantly outperforms several machine learning based methods on the Qlib quantitative investment platform. Extensive ablation studies confirm LARA's superior ability in capturing more reliable trading opportunities.

cs.LG↗

arXiv2024

Skywork-MoE: A Deep Dive into Training Techniques for Mixture-of-Experts Language Models

In this technical report, we introduce the training methodologies implemented in the development of Skywork-MoE, a high-performance mixture-of-experts (MoE) large language model (LLM) with 146 billion parameters and 16 experts. It is initialized from the pre-existing dense checkpoints of our Skywork-13B model. We explore the comparative effectiveness of upcycling versus training from scratch initializations. Our findings suggest that the choice between these two approaches should consider both the performance of the existing dense checkpoints and the MoE training budget. We highlight two innovative techniques: gating logit normalization, which improves expert diversification, and adaptive auxiliary loss coefficients, allowing for layer-specific adjustment of auxiliary loss coefficients. Our experimental results validate the effectiveness of these methods. Leveraging these techniques and insights, we trained our upcycled Skywork-MoE on a condensed subset of our SkyPile corpus. The evaluation results demonstrate that our model delivers strong performance across a wide range of benchmarks.

cs.CL↗

arXiv2024

LongSkywork: A Training Recipe for Efficiently Extending Context Length in Large Language Models

We introduce LongSkywork, a long-context Large Language Model (LLM) capable of processing up to 200,000 tokens. We provide a training recipe for efficiently extending context length of LLMs. We identify that the critical element in enhancing long-context processing capability is to incorporate a long-context SFT stage following the standard SFT stage. A mere 200 iterations can convert the standard SFT model into a long-context model. To reduce the effort in collecting and annotating data for long-context language modeling, we develop two novel methods for creating synthetic data. These methods are applied during the continual pretraining phase as well as the Supervised Fine-Tuning (SFT) phase, greatly enhancing the training efficiency of our long-context LLMs. Our findings suggest that synthetic long-context SFT data can surpass the performance of data curated by humans to some extent. LongSkywork achieves outstanding performance on a variety of long-context benchmarks. In the Needle test, a benchmark for long-context information retrieval, our models achieved perfect accuracy across multiple context spans. Moreover, in realistic application scenarios, LongSkywork-13B demonstrates performance on par with Claude2.1, the leading long-context model, underscoring the effectiveness of our proposed methods.

cs.CL↗

arXiv2024

KeNet:Knowledge-enhanced Doc-Label Attention Network for Multi-label text classification

Multi-Label Text Classification (MLTC) is a fundamental task in the field of Natural Language Processing (NLP) that involves the assignment of multiple labels to a given text. MLTC has gained significant importance and has been widely applied in various domains such as topic recognition, recommendation systems, sentiment analysis, and information retrieval. However, traditional machine learning and Deep neural network have not yet addressed certain issues, such as the fact that some documents are brief but have a large number of labels and how to establish relationships between the labels. It is imperative to additionally acknowledge that the significance of knowledge is substantiated in the realm of MLTC. To address this issue, we provide a novel approach known as Knowledge-enhanced Doc-Label Attention Network (KeNet). Specifically, we design an Attention Network that incorporates external knowledge, label embedding, and a comprehensive attention mechanism. In contrast to conventional methods, we use comprehensive representation of documents, knowledge and labels to predict all labels for each single text. Our approach has been validated by comprehensive research conducted on three multi-label datasets. Experimental results demonstrate that our method outperforms state-of-the-art MLTC method. Additionally, a case study is undertaken to illustrate the practical implementation of KeNet.

cs.CL↗

arXiv2024

Organic solvent boosts charge storage and charging dynamics of conductive MOF supercapacitors

Conductive metal-organic frameworks (c-MOFs) and ionic liquids (ILs) have emerged as auspicious combinations for high-performance supercapacitors. However, the nanoconfinement from c-MOFs and high viscosity of ILs slow down the charging process. This hindrance can, however, be resolved by adding solvent. Here, we performed constant-potential molecular simulations to scrutinize the solvent impact on charge storage and charging dynamics of MOF-IL-based supercapacitors. We find conditions for >100% enhancement in capacity and ~6 times increase in charging speed. These improvements were confirmed by synthesizing near-ideal c-MOFs and developing multiscale models linking molecular simulations to electrochemical measurements. Fundamentally, our findings elucidate that the solvent acts as an ionophobic agent to induce a substantial enhancement in charge storage, and as an ion traffic police to eliminate convoluted counterion and co-ion motion paths and create two distinct ion transport highways to accelerate charging dynamics. This work paves the way for the optimal design of MOF supercapacitors.

physics.app-ph↗

arXiv2024

Moment-Tensor-Based Constant-Potential Modeling of Electrical Double Layers

Constant-potential molecular dynamics (MD) simulations are indispensable for understanding the capacitance, structure, and dynamics of electrical double layers (EDLs) at the atomistic level. However, the classical constant-potential method, relying on the so-called 'floating charges' to keep electrode equipotential, overlooks quantum effects on the electrode and always underestimates EDL capacitance for typical electrochemical systems featuring metal electrodes in aqueous electrolytes. Here, we propose a universal theoretical framework as moment-tensor-based constant potential method (mCPM) to capture electronic structure variations with electric moments. For EDLs at Au(111) electrodes, mCPM-based MD reveals bell-shaped capacitance curves in magnitude and shape both quantitatively consistent with experiments. It further unveils the potential-dependent local electric fields, agreeing with experimental observations of redshift vibration of interfacial water under negative polarization and predicting a blueshift under positive polarization, and identifies geometry dependence of two time scales during EDL formation.

physics.chem-ph↗

arXiv2023

AKE-GNN: Effective Graph Learning with Adaptive Knowledge Exchange

Graph Neural Networks (GNNs) have already been widely used in various graph mining tasks. However, recent works reveal that the learned weights (channels) in well-trained GNNs are highly redundant, which inevitably limits the performance of GNNs. Instead of removing these redundant channels for efficiency consideration, we aim to reactivate them to enlarge the representation capacity of GNNs for effective graph learning. In this paper, we propose to substitute these redundant channels with other informative channels to achieve this goal. We introduce a novel GNN learning framework named AKE-GNN, which performs the Adaptive Knowledge Exchange strategy among multiple graph views generated by graph augmentations. AKE-GNN first trains multiple GNNs each corresponding to one graph view to obtain informative channels. Then, AKE-GNN iteratively exchanges redundant channels in the weight parameter matrix of one GNN with informative channels of another GNN in a layer-wise manner. Additionally, existing GNNs can be seamlessly incorporated into our framework. AKE-GNN achieves superior performance compared with various baselines across a suite of experiments on node classification, link prediction, and graph classification. In particular, we conduct a series of experiments on 15 public benchmark datasets, 8 popular GNN models, and 3 graph tasks and show that AKE-GNN consistently outperforms existing popular GNN models and even their ensembles. Extensive ablation studies and analyses on knowledge exchange methods validate the effectiveness of AKE-GNN.

cs.LG↗

arXiv2023

ImGCL: Revisiting Graph Contrastive Learning on Imbalanced Node Classification

Graph contrastive learning (GCL) has attracted a surge of attention due to its superior performance for learning node/graph representations without labels. However, in practice, the underlying class distribution of unlabeled nodes for the given graph is usually imbalanced. This highly imbalanced class distribution inevitably deteriorates the quality of learned node representations in GCL. Indeed, we empirically find that most state-of-the-art GCL methods cannot obtain discriminative representations and exhibit poor performance on imbalanced node classification. Motivated by this observation, we propose a principled GCL framework on Imbalanced node classification (ImGCL), which automatically and adaptively balances the representations learned from GCL without labels. Specifically, we first introduce the online clustering based progressively balanced sampling (PBS) method with theoretical rationale, which balances the training sets based on pseudo-labels obtained from learned representations in GCL. We then develop the node centrality based PBS method to better preserve the intrinsic structure of graphs, by upweighting the important nodes of the given graph. Extensive experiments on multiple imbalanced graph datasets and imbalanced settings demonstrate the effectiveness of our proposed framework, which significantly improves the performance of the recent state-of-the-art GCL methods. Further experimental ablations and analyses show that the ImGCL framework consistently improves the representation quality of nodes in under-represented (tail) classes.

cs.LG↗

arXiv2023

MolKD: Distilling Cross-Modal Knowledge in Chemical Reactions for Molecular Property Prediction

How to effectively represent molecules is a long-standing challenge for molecular property prediction and drug discovery. This paper studies this problem and proposes to incorporate chemical domain knowledge, specifically related to chemical reactions, for learning effective molecular representations. However, the inherent cross-modality property between chemical reactions and molecules presents a significant challenge to address. To this end, we introduce a novel method, namely MolKD, which Distills cross-modal Knowledge in chemical reactions to assist Molecular property prediction. Specifically, the reaction-to-molecule distillation model within MolKD transfers cross-modal knowledge from a pre-trained teacher network learning with one modality (i.e., reactions) into a student network learning with another modality (i.e., molecules). Moreover, MolKD learns effective molecular representations by incorporating reaction yields to measure transformation efficiency of the reactant-product pair when pre-training on reactions. Extensive experiments demonstrate that MolKD significantly outperforms various competitive baseline models, e.g., 2.1% absolute AUC-ROC gain on Tox21. Further investigations demonstrate that pre-trained molecular representations in MolKD can distinguish chemically reasonable molecular similarities, which enables molecular property prediction with high robustness and interpretability.

cs.LG↗